Hierarchical MoO3/SnS2 core-shell nanowires with enhanced electrochemical performance for lithium-ion batteries.

PubMed

Hu, Chenli; Shu, Haibo; Shen, Zihong; Zhao, Tianfeng; Liang, Pei; Chen, Xiaoshuang

2018-06-27

Two-dimensional (2D) tin disulfide (SnS2) is a promising anode material for lithium-ion batteries (LIBs) because of its high theoretical capacity. The main challenges associated with the SnS2 electrodes are the poor cycling stability and low rate capability due to structural degradation in the discharge/charge process. Here, a facile two-step synthesis method is developed to fabricate hierarchical MoO3/SnS2 core-shell nanowires, where ultrathin SnS2 nanosheets are vertically anchored on MoO3 nanobelts to induce a heterointerface. Benefiting from the unique structural and compositional characteristics, the hierarchical MoO3/SnS2 core-shell nanowires exhibit excellent electrochemical performance and deliver a high reversible capacity of 504 mA h g-1 after 100 stable cycles at a current density of 100 mA g-1, which is far superior to the MoO3 and SnS2 electrodes. An analysis of lithiation dynamics based on ab initio molecular dynamics simulations demonstrates that the formation of a hierarchical MoO3/SnS2 core-shell heterostructure can effectively suppress the rapid dissociation of shell-layer SnS2 nanosheets via the interfacial coupling effect and the central MoO3 backbone can trap and support the polysulfide in the discharge/charge process. The results are responsible for the high storage capacity and rate capability of MoO3/SnS2 electrode materials. This work provides a novel design strategy for constructing high-performance electrodes for LIBs.

Facile Synthesis of 1D/2D Core-Shell Structured Sb2S3@MoS2 Nanorods with Enhanced Photocatalytic Performance

NASA Astrophysics Data System (ADS)

Xu, Meilan; Zhao, Jiachang

2018-07-01

Herein, a novel core-shell heterojunction structure of molybdenum disulfide (MoS2) nanosheets coated antimony trisulfide (Sb2S3) nanorods (Sb2S3@MoS2) are designed and fabricated by a two-step hydrothermal method. The Sb2S3@MoS2 heterostructure consists of one-dimension (1D) Sb2S3 nanorods coated by two-dimension (2D) MoS2 nanosheets. When utilized as a photocatalyst under simulated sunlight, compared with pure Sb2S3 nanorods and MoS2 nanosheets, Sb2S3@MoS2 nanorods perform an enhanced photoactivity in degrading Rhodamine B (RhB) with a decomposition efficiency of 99%. The excellent photocatalytic property is attributed to the properly constructed heterojunction between Sb2S3 and MoS2, which can broaden the photoadsorption range. Furthermore, not only can the unique hybrid 1D/2D core-shell structures possess more reaction active sites, but also the compact interfaces between Sb2S3 and MoS2 provide rapid charge transfer channels for charge separation.

MoS2/Ni3S4 composite nanosheets on interconnected carbon shells as an excellent supercapacitor electrode architecture for long term cycling at high current densities

NASA Astrophysics Data System (ADS)

Qin, Shengchun; Yao, Tinghui; Guo, Xin; Chen, Qiang; Liu, Dequan; Liu, Qiming; Li, Yali; Li, Junshuai; He, Deyan

2018-05-01

In this paper, we report an electrode architecture of molybdenum disulfide (MoS2)/nickel sulfide (Ni3S4) composite nanosheets anchored on interconnected carbon (C) shells (C@MoS2/Ni3S4). Electrochemical measurements indicate that the C@MoS2/Ni3S4 structure possesses excellent supercapacitive properties especially for long term cycling at high current densities. A specific capacitance as high as ∼640.7 F g-1 can still be delivered even after 10,000 cycles at a high current density of 20 A g-1. From comparison of microstructures and electrochemical properties of the related materials/structures, the improved performance of C@MoS2/Ni3S4 can be attributed to the relatively dispersedly distributed nanosheet-shaped MoS2/Ni3S4 that provides efficient contact with electrolyte and effectively buffers the volume change during charge/discharge processes, enhanced cycling stability by MoS2, and reduced equivalent series resistance by the interconnected C shells.

Atomic layer deposition of TiO2 shells on MoO3 nanobelts allowing enhanced lithium storage performance.

PubMed

Xie, Sanmu; Cao, Daxian; She, Yiyi; Wang, Hongkang; Shi, Jian-Wen; Leung, Micheal K H; Niu, Chunming

2018-06-26

Atomic layer deposition (ALD) of TiO2 shells on MoO3 nanobelts (denote as TiO2@MoO3) is realized using a home-made ALD system, which allows a controllable hydrolysis reaction of TiCl4-H2O on an atomic scale. When used as an anode material for lithium ion batteries, the TiO2@MoO3 electrode demonstrates much enhanced lithium storage performance including higher specific capacity, better cycling stability and rate capability.

Synthesis and Characterization of SiO2@Y2MoO6:Eu3+ Core-Shell Structured Spherical Phosphors by Sol-Gel Process.

PubMed

Li, G Z; Liu, F H; Chu, Z S; Wu, D M; Yang, L B; Li, J L; Wang, M N; Wang, Z L

2016-04-01

SiO2@Y2MoO6:Eu3+ core-shell phosphors were prepared by the sol-gel process. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectra (EDS), transmission electron microscopy (TEM), photoluminescence (PL) spectra as well as kinetic decays were used to characterize the resulting SiO2@Y2MoO6:Eu3+ core-shell phosphors. The XRD results demonstrated that the Y2MoO6:Eu3+ layers on the SiO2 spheres crystallized after being annealed at 700 °C and the crystallinity increased with raising the annealing temperature. The obtained core-shell phosphors have spherical shape with narrow size distribution (average size ca. 640 nm), non-agglomeration, and smooth surface. The thickness of the Y2MoO6:Eu3+ shells on the SiO2 cores could be easily tailored by varying the number of deposition cycles (70 nm for four deposition cycles). The Eul+ shows a strong PL emission (dominated by 5D0-7F2 red emission at 614 nm) under the excitation of 347 nm UV light. The PL intensity of Eu3+ increases with increasing the annealing temperature and the number of coating cycles.

Cross-section measurements of the 94Mo(γ,n) and 90Zr(γ,n) reactions using real photons at the HIγS facility

NASA Astrophysics Data System (ADS)

Banu, Adriana; Silano, Jack; Karwowski, Hugon; Meekins, Evan; Bhike, Megha; Tornow, Werner; McCleskey, Mathew

2018-05-01

The photodisintegration reaction cross-sections for 94Mo(γ,n) and 90Zr(γ,n) have been experimentally investigated with quasi-monochromatic photon beams at the High Intensity γ-Ray Source (HIγS) facility, Triangle University Nuclear Laboratory (TUNL). The measurements were focused primarily on studying the energy dependence of the photoneutron cross sections, which is the most direct way of testing statistical models, and were performed close to the respective neutron thresholds and above up to 20 MeV. Neutrons from the (γ,n) reactions were detected using a 4π assembly of 3He proportional counters developed at Los Alamos National Laboratory and presently available at TUNL. While the 94Mo(γ,n) cross section measurement aims to contribute to a broader investigation for understanding the γ-process (the mechanism responsible for the nucleosynthesis of the so-called p-nuclei), the information from the 90Zr(γ,n) data is relevant to constrain QRPA calculations of γ-ray strength functions in this mass region. In this contribution, we will present our preliminary results of the total (γ,n) excitation functions for the two photoneutron reactions on 94Mo and 90Zr.

One-Pot Synthesis of Tunable Crystalline Ni3 S4 @Amorphous MoS2 Core/Shell Nanospheres for High-Performance Supercapacitors.

PubMed

Zhang, Yu; Sun, Wenping; Rui, Xianhong; Li, Bing; Tan, Hui Teng; Guo, Guilue; Madhavi, Srinivasan; Zong, Yun; Yan, Qingyu

2015-08-12

Transition metal sulfides gain much attention as electrode materials for supercapacitors due to their rich redox chemistry and high electrical conductivity. Designing hierarchical nanostructures is an efficient approach to fully utilize merits of each component. In this work, amorphous MoS(2) is firstly demonstrated to show specific capacitance 1.6 times as that of the crystalline counterpart. Then, crystalline core@amorphous shell (Ni(3)S(4)@MoS(2)) is prepared by a facile one-pot process. The diameter of the core and the thickness of the shell can be independently tuned. Taking advantages of flexible protection of amorphous shell and high capacitance of the conductive core, Ni(3)S(4) @amorphous MoS(2) nanospheres are tested as supercapacitor electrodes, which exhibit high specific capacitance of 1440.9 F g(-1) at 2 A g(-1) and a good capacitance retention of 90.7% after 3000 cycles at 10 A g(-1). This design of crystalline core@amorphous shell architecture may open up new strategies for synthesizing promising electrode materials for supercapacitors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hierarchical core-shell structure of ZnO nanorod@NiO/MoO₂ composite nanosheet arrays for high-performance supercapacitors.

PubMed

Hou, Sucheng; Zhang, Guanhua; Zeng, Wei; Zhu, Jian; Gong, Feilong; Li, Feng; Duan, Huigao

2014-08-27

A hierarchical core-shell structure of ZnO nanorod@NiO/MoO2 composite nanosheet arrays on nickel foam substrate for high-performance supercapacitors was constructed by a two-step solution-based method involving two hydrothermal processes followed by a calcination treatment. Compared to one composed of pure NiO/MoO2 composite nanosheets, the hierarchical core-shell structure electrode displays better pseudocapacitive behaviors in 2 M KOH, including high areal specific capacitance values of 1.18 F cm(-2) at 5 mA cm(-2) and 0.6 F cm(-2) at 30 mA cm(-2) as well as relatively good rate capability at high current densities. Furthermore, it also shows remarkable cycle stability, remaining at 91.7% of the initial value even after 4000 cycles at a current density of 10 mA cm(-2). The enhanced pseudocapacitive behaviors are mainly due to the unique hierarchical core-shell structure and the synergistic effect of combining ZnO nanorod arrays and NiO/MoO2 composite nanosheets. This novel hierarchical core-shell structure shows promise for use in next-generation supercapacitors.

Catalytic activity in lithium-treated core–shell MoO x/MoS 2 nanowires

DOE PAGES

Cummins, Dustin R.; Martinez, Ulises; Kappera, Rajesh; ...

2015-09-22

Significant interest has grown in the development of earth-abundant and efficient catalytic materials for hydrogen generation. Layered transition metal dichalcogenides present opportunities for efficient electrocatalytic systems. Here, we report the modification of 1D MoO x/MoS 2 core–shell nanostructures by lithium intercalation and the corresponding changes in morphology, structure, and mechanism of H 2 evolution. The 1D nanowires exhibit significant improvement in H 2 evolution properties after lithiation, reducing the hydrogen evolution reaction (HER) onset potential by ~50 mV and increasing the generated current density by ~600%. The high electrochemical activity in the nanowires results from disruption of MoS 2 layersmore » in the outer shell, leading to increased activity and concentration of defect sites. This is in contrast to the typical mechanism of improved catalysis following lithium exfoliation, i.e., crystal phase transformation. As a result, these structural changes are verified by a combination of Raman and X-ray photoelectron spectroscopy (XPS).« less

A new approach to the method of source-sink potentials for molecular conduction

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

Pickup, Barry T., E-mail: B.T.Pickup@sheffield.ac.uk, E-mail: P.W.Fowler@sheffield.ac.uk; Fowler, Patrick W., E-mail: B.T.Pickup@sheffield.ac.uk, E-mail: P.W.Fowler@sheffield.ac.uk; Borg, Martha

2015-11-21

We re-derive the tight-binding source-sink potential (SSP) equations for ballistic conduction through conjugated molecular structures in a form that avoids singularities. This enables derivation of new results for families of molecular devices in terms of eigenvectors and eigenvalues of the adjacency matrix of the molecular graph. In particular, we define the transmission of electrons through individual molecular orbitals (MO) and through MO shells. We make explicit the behaviour of the total current and individual MO and shell currents at molecular eigenvalues. A rich variety of behaviour is found. A SSP device has specific insulation or conduction at an eigenvalue ofmore » the molecular graph (a root of the characteristic polynomial) according to the multiplicities of that value in the spectra of four defined device polynomials. Conduction near eigenvalues is dominated by the transmission curves of nearby shells. A shell may be inert or active. An inert shell does not conduct at any energy, not even at its own eigenvalue. Conduction may occur at the eigenvalue of an inert shell, but is then carried entirely by other shells. If a shell is active, it carries all conduction at its own eigenvalue. For bipartite molecular graphs (alternant molecules), orbital conduction properties are governed by a pairing theorem. Inertness of shells for families such as chains and rings is predicted by selection rules based on node counting and degeneracy.« less

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires grown on carbon cloth as integrated electrode for high-performance supercapacitors

PubMed Central

Huang, Liang; Zhang, Wei; Xiang, Jinwei; Xu, Henghui; Li, Guolong; Huang, Yunhui

2016-01-01

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires were grown on carbon cloth (CC@NiCo2O4@NiMoO4) by a two-step hydrothermal route to fabricate a flexible binder-free electrode. The prepared CC@NiCo2O4@NiMoO4 integrated electrode was directly used as an electrode for faradaic supercapacitor. It shows a high areal capacitance of 2.917 F cm−2 at 2 mA cm−2 and excellent cycling stability with 90.6% retention over 2000 cycles at a high current density of 20 mA cm−2. The superior specific capacitance, rate and cycling performance can be ascribed to the fast transferring path for electrons and ions, synergic effect and the stability of the hierarchical core-shell structure. PMID:27515274

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires grown on carbon cloth as integrated electrode for high-performance supercapacitors.

PubMed

Huang, Liang; Zhang, Wei; Xiang, Jinwei; Xu, Henghui; Li, Guolong; Huang, Yunhui

2016-08-12

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires were grown on carbon cloth (CC@NiCo2O4@NiMoO4) by a two-step hydrothermal route to fabricate a flexible binder-free electrode. The prepared CC@NiCo2O4@NiMoO4 integrated electrode was directly used as an electrode for faradaic supercapacitor. It shows a high areal capacitance of 2.917 F cm(-2) at 2 mA cm(-2) and excellent cycling stability with 90.6% retention over 2000 cycles at a high current density of 20 mA cm(-2). The superior specific capacitance, rate and cycling performance can be ascribed to the fast transferring path for electrons and ions, synergic effect and the stability of the hierarchical core-shell structure.

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires grown on carbon cloth as integrated electrode for high-performance supercapacitors

NASA Astrophysics Data System (ADS)

Huang, Liang; Zhang, Wei; Xiang, Jinwei; Xu, Henghui; Li, Guolong; Huang, Yunhui

2016-08-01

Hierarchical core-shell NiCo2O4@NiMoO4 nanowires were grown on carbon cloth (CC@NiCo2O4@NiMoO4) by a two-step hydrothermal route to fabricate a flexible binder-free electrode. The prepared CC@NiCo2O4@NiMoO4 integrated electrode was directly used as an electrode for faradaic supercapacitor. It shows a high areal capacitance of 2.917 F cm-2 at 2 mA cm-2 and excellent cycling stability with 90.6% retention over 2000 cycles at a high current density of 20 mA cm-2. The superior specific capacitance, rate and cycling performance can be ascribed to the fast transferring path for electrons and ions, synergic effect and the stability of the hierarchical core-shell structure.

Estimations of Mo X-pinch plasma parameters on QiangGuang-1 facility by L-shell spectral analyses

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

Wu, Jian; Qiu, Aici; State Key Laboratory of Intense Pulsed Radiation Simulation and Effect, Northwest Institute of Nuclear Technology, Xi'an 710024

2013-08-15

Plasma parameters of molybdenum (Mo) X-pinches on the 1-MA QiangGuang-1 facility were estimated by L-shell spectral analysis. X-ray radiation from X-pinches had a pulsed width of 1 ns, and its spectra in 2–3 keV were measured with a time-integrated X-ray spectrometer. Relative intensities of spectral features were derived by correcting for the spectral sensitivity of the spectrometer. With an open source, atomic code FAC (flexible atomic code), ion structures, and various atomic radiative-collisional rates for O-, F-, Ne-, Na-, Mg-, and Al-like ionization stages were calculated, and synthetic spectra were constructed at given plasma parameters. By fitting the measured spectramore » with the modeled, Mo X-pinch plasmas on the QiangGuang-1 facility had an electron density of about 10{sup 21} cm{sup −3} and the electron temperature of about 1.2 keV.« less

Activation Cross-Sections for 14.2 MeV Neutrons on Molybdenum

NASA Astrophysics Data System (ADS)

Srinivasa Rao, C. V.; Lakshmana Das, N.; Thirumala Rao, B. V.; Rama Rao, J.

1981-12-01

Using the activation method, the cross-section for the following reactions on molybdenum were measured employing the mixed powder technique and Ge(Li) gamma-ray spectroscopy: 94Mo(n, 2n)93mMo, 3.5 ± 0.5 mbarn; 92Mo(n, 2n)91mMo, 19 ± 3 mbarn; 92Mo(n, 2n)91m+gMo, 226 ± 11 mbarn; 100Mo(n, p)100m2Nb, 9 ± 1 mbarn; 98Mo(n, p)98Nb, 10 ± 1 mbarn; 97Mo(n, p)97mNb, 5 ± 1 mbarn; 96Mo(n, p)96Nb, 12 ± 2 mbarn; 92Mo(n, α)89mZr, 2.1 ± 0.5 mbarn; and 92Mo(n, α)89m+gZr 24 ± 6 mbarn; the neutron energy was 14.2 ± 0.2 MeV. The experimental cross-sections were compared with the predictions of evaporation model and of different versions of pre-equilibrium model. The master equation approach appears to give satisfactory results.

Reduced molybenum-oxide-based core-shell hybrids: "blue" electrons are delocalized on the shell.

PubMed

Todea, Ana Maria; Szakács, Julia; Konar, Sanjit; Bögge, Hartmut; Crans, Debbie C; Glaser, Thorsten; Rousselière, Hélène; Thouvenot, René; Gouzerh, Pierre; Müller, Achim

2011-06-06

The present study refers to a variety of reduced metal-oxide core-shell hybrids, which are unique with regard to their electronic structure, their geometry, and their formation. They contain spherical {Mo72Fe30} Keplerate-type shells encapsulating Keggin-type polyoxomolybdates based on very weak interactions. Studies on the encapsulation of molybdosilicate as well as on the earlier reported molybdophosphate, coupled with the use of several physical methods for the characterization led to unprecedented results (see title). Upon standing in air at room temperature, acidified aqueous solutions obtained by dissolving sodium molybdate, iron(II) chloride, acetic acid, and molybdosilicic acid led to the precipitation of monoclinic greenish crystals (1). A rhombohedral variant (2) has also been observed. Upon drying at room temperature, compound 3 with a layer structure was obtained from 1 in a solid-state reaction based on cross-linking of the shells. The compounds 1, 2, and 3 have been characterized by a combination of methods including single-crystal X-ray crystallography, magnetic studies, as well as IR, Mössbauer, (resonance) Raman, and electronic absorption spectroscopy. In connection with detailed studies of the guest-free two-electron-reduced {Mo72Fe30}-type Keplerate (4) and of the previously reported molybdophosphate-based hybrids (including 31P NMR spectroscopy results), it is unambiguously proved that 1, 2, and 3 contain non-reduced Keggin ion cores and reduced {Mo72Fe30}-type shells. The results are discussed in terms of redox considerations (the shell as well as the core can be reduced) including those related to the reduction of "molybdates" by FeII being of interdisciplinary including catalytic interest (the MoVI/MoV and FeIII/FeII couples have very close redox potentials!), while also referring to the special formation of the hybrids based on chemical Darwinism.

Facile synthesis of 3D few-layered MoS2 coated TiO2 nanosheet core-shell nanostructures for stable and high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Chen, Biao; Zhao, Naiqin; Guo, Lichao; He, Fang; Shi, Chunsheng; He, Chunnian; Li, Jiajun; Liu, Enzuo

2015-07-01

Uniform transition metal sulfide deposition on a smooth TiO2 surface to form a coating structure is a well-known challenge, caused mainly due to their poor affinities. Herein, we report a facile strategy for fabricating mesoporous 3D few-layered (<4 layers) MoS2 coated TiO2 nanosheet core-shell nanocomposites (denoted as 3D FL-MoS2@TiO2) by a novel two-step method using a smooth TiO2 nanosheet as a template and glucose as a binder. The core-shell structure has been systematically examined and corroborated by transmission electron microscopy, scanning transmission electron microscopy, and X-ray photoelectron spectroscopy analyses. It is found that the resultant 3D FL-MoS2@TiO2 as a lithium-ion battery anode delivers an outstanding high-rate capability with an excellent cycling performance, relating to the unique structure of 3D FL-MoS2@TiO2. The 3D uniform coverage of few-layered (<4 layers) MoS2 onto the TiO2 can remarkably enhance the structure stability and effectively shortens the transfer paths of both lithium ions and electrons, while the strong synergistic effect between MoS2 and TiO2 can significantly facilitate the transport of ions and electrons across the interfaces, especially in the high-rate charge-discharge process. Moreover, the facile fabrication strategy can be easily extended to design other oxide/carbon-sulfide/oxide core-shell materials for extensive applications.Uniform transition metal sulfide deposition on a smooth TiO2 surface to form a coating structure is a well-known challenge, caused mainly due to their poor affinities. Herein, we report a facile strategy for fabricating mesoporous 3D few-layered (<4 layers) MoS2 coated TiO2 nanosheet core-shell nanocomposites (denoted as 3D FL-MoS2@TiO2) by a novel two-step method using a smooth TiO2 nanosheet as a template and glucose as a binder. The core-shell structure has been systematically examined and corroborated by transmission electron microscopy, scanning transmission electron microscopy, and X-ray photoelectron spectroscopy analyses. It is found that the resultant 3D FL-MoS2@TiO2 as a lithium-ion battery anode delivers an outstanding high-rate capability with an excellent cycling performance, relating to the unique structure of 3D FL-MoS2@TiO2. The 3D uniform coverage of few-layered (<4 layers) MoS2 onto the TiO2 can remarkably enhance the structure stability and effectively shortens the transfer paths of both lithium ions and electrons, while the strong synergistic effect between MoS2 and TiO2 can significantly facilitate the transport of ions and electrons across the interfaces, especially in the high-rate charge-discharge process. Moreover, the facile fabrication strategy can be easily extended to design other oxide/carbon-sulfide/oxide core-shell materials for extensive applications. Electronic supplementary information (ESI) available: Supplementary SEM, TEM, XPS and EIS analyses. See DOI: 10.1039/c5nr03334a

X-ray and Neutron Scattering Study of the Formation of Core–Shell-Type Polyoxometalates

DOE PAGES

Yin, Panchao; Wu, Bin; Mamontov, Eugene; ...

2016-02-05

A typical type of core-shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo 72Fe 30}. Small angle X-ray scattering is used to study the structural features and stability of the core-shell structures in aqueous solutions. Time-resolved small angle X-ray scattering is applied to monitor the synthetic reactions and a three-stage formation mechanism is proposed to describe the synthesis of the core-shell polyoxometalates based on the monitoring results. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core-shell structures and two different types ofmore » water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures. A typical type of core shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo 72Fe 30}. Small-angle X-ray scattering is used to study the structural features and stability of the core shell structures in aqueous solutions. Time-resolved small-angle X-ray scattering is applied to monitor the synthetic reactions, and a three-stage formation mechanism is proposed to describe the synthesis of the core shell polyoxometalates based on the monitoring results. New protocols have been developed by fitting the X-ray data with custom physical models, which provide more convincing, objective, and completed data interpretation. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core shell structures, and two different types of water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures.« less

Magnetic {Mo72Fe30}-embedded hybrid nanocapsules.

PubMed

Cui, Jiwei; Fan, Dawei; Hao, Jingcheng

2009-02-15

Magnetic nanocapsules were constructed by fabricating nanometer scaled C(60)-like "Keplerate" type {Mo(72)Fe(30)} with molecular formula [Mo(72)(VI)Fe(30)(III)O(252)(CH(3)COO)(12){Mo(2)O(7)(H(2)O)}(2){H(2)Mo(2)O(8)(H(2)O)}(H(2)O)(91)] x ca.150 H(2)O into nanocapsule shells using the LbL technique. The morphology of the obtained hybrid nanocapsules was examined by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Shell thickness of the {Mo(72)Fe(30)}-embedded nanocapsules can be tailored at the nanometer level more precisely than other nanoparticle-embedded capsules due to the homogeneous diameter and surface charges of {Mo(72)Fe(30)}. Interestingly, the {Mo(72)Fe(30)}-embedded nanocapsules could be separated and aligned under a circumstance of magnetic field, though {Mo(72)Fe(30)} is a paramagnetic molecule. This is the first time to fabricate hybrid magnetic materials containing {Mo(72)Fe(30)} using LbL technique. The obtained nanocapsules can be a good candidate for bioseparation as well as targeted delivery.

Assembly of flexible CoMoO4@NiMoO4·xH2O and Fe2O3 electrodes for solid-state asymmetric supercapacitors

PubMed Central

Wang, Jing; Zhang, Leipeng; Liu, Xusong; Zhang, Xiang; Tian, Yanlong; Liu, Xiaoxu; Zhao, Jiupeng; Li, Yao

2017-01-01

In this work, CoMoO4@NiMoO4·xH2O core-shell heterostructure electrode is directly grown on carbon fabric (CF) via a feasible hydrothermal procedure with CoMoO4 nanowires (NWs) as the core and NiMoO4 nanosheets (NSs) as the shell. This core-shell heterostructure could provide fast ion and electron transfer, a large number of active sites, and good strain accommodation. As a result, the CoMoO4@NiMoO4·xH2O electrode yields high-capacitance performance with a high specific capacitance of 1582 F g−1, good cycling stability with the capacitance retention of 97.1% after 3000 cycles and good rate capability. The electrode also shows excellent mechanical flexibility. Also, a flexible Fe2O3 nanorods/CF electrode with enhanced electrochemical performance was prepared. A solid-state asymmetric supercapacitor device is successfully fabricated by using flexible CoMoO4@NiMoO4·xH2O as the positive electrode and Fe2O3 as the negative electrode. The asymmetric supercapacitor with a maximum voltage of 1.6 V demonstrates high specific energy (41.8 Wh kg−1 at 700 W kg−1), high power density (12000 W kg−1 at 26.7 Wh kg−1), and excellent cycle ability with the capacitance retention of 89.3% after 5000 cycles (at the current density of 3A g−1). PMID:28106170

Seaurchin-like hierarchical NiCo2O4@NiMoO4 core-shell nanomaterials for high performance supercapacitors.

PubMed

Zhang, Qiang; Deng, Yanghua; Hu, Zhonghua; Liu, Yafei; Yao, Mingming; Liu, Peipei

2014-11-14

A novel electrode material of the three-dimensional (3D) multicomponent oxide NiCo2O4@NiMoO4 core-shell was synthesized via a facile two-step hydrothermal method using a post-annealing procedure. The uniform NiMoO4 nanosheets were grown on the seaurchin-like NiCo2O4 backbone to form a NiCo2O4@NiMoO4 core-shell material constructed by interconnected ultrathin nanosheets, so as to produce hierarchical mesopores with a large specific surface area of 100.3 m(2) g(-1). The porous feature and core-shell structure can facilitate the penetration of electrolytic ions and increases the number of electroactive sites. Hence, the NiCo2O4@NiMoO4 material exhibited a high specific capacitance of 2474 F g(-1) and 2080 F g(-1) at current densities of 1 A g(-1) and 20 A g(-1) respectively, suggesting that it has not only a very large specific capacitance, but also a good rate performance. In addition, the capacitance loss was only 5.0% after 1000 cycles of charge and discharge tests at the current density of 10 A g(-1), indicating high stability. The excellent electrochemical performance is mainly attributed to its 3D core-shell and hierarchical mesoporous structures which can provide unobstructed pathways for the fast diffusion and transportation of ions and electrons, a large number of active sites and good strain accommodation.

Constructing a MoS₂ QDs/CdS Core/Shell Flowerlike Nanosphere Hierarchical Heterostructure for the Enhanced Stability and Photocatalytic Activity.

PubMed

Liang, Shijing; Zhou, Zhouming; Wu, Xiuqin; Zhu, Shuying; Bi, Jinhong; Zhou, Limin; Liu, Minghua; Wu, Ling

2016-02-15

MoS₂ quantum dots (QDs)/CdS core/shell nanospheres with a hierarchical heterostructure have been prepared by a simple microwave hydrothermal method. The as-prepared samples are characterized by XRD, TEM, SEM, UV-VIS diffuse reflectance spectra (DRS) and N₂-sorption in detail. The photocatalytic activities of the samples are evaluated by water splitting into hydrogen. Results show that the as-prepared MoS₂ QDs/CdS core/shell nanospheres with a diameter of about 300 nm are composed of the shell of CdS nanorods and the core of MoS₂ QDs. For the photocatalytic reaction, the samples exhibit a high stability of the photocatalytic activity and a much higher hydrogen evolution rate than the pure CdS, the composite prepared by a physical mixture, and the Pt-loaded CdS sample. In addition, the stability of CdS has also been greatly enhanced. The effect of the reaction time on the formations of nanospheres, the photoelectric properties and the photocatalytic activities of the samples has been investigated. Finally, a possible photocatalytic reaction process has also been proposed.

Effectively-truncated large-scale shell-model calculations and nuclei around 100Sn

NASA Astrophysics Data System (ADS)

Gargano, A.; Coraggio, L.; Itaco, N.

2017-09-01

This paper presents a short overview of a procedure we have recently introduced, dubbed the double-step truncation method, which is aimed to reduce the computational complexity of large-scale shell-model calculations. Within this procedure, one starts with a realistic shell-model Hamiltonian defined in a large model space, and then, by analyzing the effective single particle energies of this Hamiltonian as a function of the number of valence protons and/or neutrons, reduced model spaces are identified containing only the single-particle orbitals relevant to the description of the spectroscopic properties of a certain class of nuclei. As a final step, new effective shell-model Hamiltonians defined within the reduced model spaces are derived by way of a unitary transformation of the original large-scale Hamiltonian. A detailed account of this transformation is given and the merit of the double-step truncation method is illustrated by discussing few selected results for 96Mo, described as four protons and four neutrons outside 88Sr. Some new preliminary results for light odd-tin isotopes from A = 101 to 107 are also reported.

A Chemical-Adsorption Strategy to Enhance the Reaction Kinetics of Lithium-Rich Layered Cathodes via Double-Shell Surface Modification.

PubMed

Guo, Lichao; Li, Jiajun; Cao, Tingting; Wang, Huayu; Zhao, Naiqin; He, Fang; Shi, Chunsheng; He, Chunnian; Liu, Enzuo

2016-09-21

Sluggish surface reaction kinetics hinders the power density of Li-ion battery. Thus, various surface modification techniques have been applied to enhance the electronic/ionic transfer kinetics. However, it is challenging to obtain a continuous and uniform surface modification layer on the prime particles with structure integration at the interface. Instead of classic physical-adsorption/deposition techniques, we propose a novel chemical-adsorption strategy to synthesize double-shell modified lithium-rich layered cathodes with enhanced mass transfer kinetics. On the basis of experimental measurement and first-principles calculation, MoO2S2 ions are proved to joint the layered phase via chemical bonding. Specifically, the Mo-O or Mo-S bonds can flexibly rotate to bond with the cations in the layered phase, leading to the good compatibility between the thiomolybdate adsorption layer and layered cathode. Followed by annealing treatment, the lithium-excess-spinel inner shell forms under the thiomolybdate adsorption layer and functions as favorable pathways for lithium and electron. Meanwhile, the nanothick MoO3-x(SO4)x outer shell protects the transition metal from dissolution and restrains electrolyte decomposition. The double-shell modified sample delivers an enhanced discharge capacity almost twice as much as that of the unmodified one at 1 A g(-1) after 100 cycles, demonstrating the superiority of the surface modification based on chemical adsorption.

High performance solid-state electric double layer capacitor from redox mediated gel polymer electrolyte and renewable tamarind fruit shell derived porous carbon.

PubMed

Senthilkumar, S T; Selvan, R Kalai; Melo, J S; Sanjeeviraja, C

2013-11-13

The activated carbon was derived from tamarind fruit shell and utilized as electrodes in a solid state electrochemical double layer capacitor (SSEDLC). The fabricated SSEDLC with PVA (polyvinyl alcohol)/H2SO4 gel electrolyte delivered high specific capacitance and energy density of 412 F g(-1) and 9.166 W h kg(-1), respectively, at 1.56 A g(-1). Subsequently, Na2MoO4 (sodium molybdate) added PVA/H2SO4 gel electrolyte was also prepared and applied for SSEDLC, to improve the performance. Surprisingly, 57.2% of specific capacitance (648 F g(-1)) and of energy density (14.4 Wh kg(-1)) was increased while introducing Na2MoO4 as the redox mediator in PVA/H2SO4 gel electrolyte. This improved performance is owed to the redox reaction between Mo(VI)/Mo(V) and Mo(VI)/Mo(IV) redox couples in Na2MoO4/PVA/H2SO4 gel electrolyte. Similarly, the fabricated device shows the excellent capacitance retention of 93% for over 3000 cycles. The present work suggests that the Na2MoO4 added PVA/H2SO4 gel is a potential electrolyte to improve the performance instead of pristine PVA/H2SO4 gel electrolyte. Based on the overall performance, it is strongly believed that the combination of tamarind fruit shell derived activated carbon and Na2MoO4/PVA/H2SO4 gel electrolyte is more attractive in the near future for high performance SSEDLCs.

Investigation of activation cross section data of alpha particle induced nuclear reaction on molybdenum up to 40 MeV: Review of production routes of medically relevant 97,103Ru

NASA Astrophysics Data System (ADS)

Tárkányi, F.; Hermanne, A.; Ditrói, F.; Takács, S.; Ignatyuk, A.

2017-05-01

The main goals of this investigations were to expand and consolidate reliable activation cross-section data for the natMo(α,x) reactions in connection with production of medically relevant 97,103Ru and the use of the natMo(α,x)97Ru reaction for monitoring beam parameters. The excitation functions for formation of the gamma-emitting radionuclides 94Ru, 95Ru, 97Ru, 103Ru, 93mTc, 93gTc(m+), 94mTc, 94gTc, 95mTc, 95gTc, 96gTc(m+), 99mTc, 93mMo, 99Mo(cum), 90Nb(m+) and 88Zr were measured up to 40 MeV alpha-particle energy by using the stacked foil technique and activation method. Data of our earlier similar experiments were re-evaluated and resulted in corrections on the reported results. Our experimental data were compared with critically analyzed literature data and with the results of model calculations, obtained by using the ALICE-IPPE, EMPIRE 3.1 (Rivoli) and TALYS codes (TENDL-2011 and TENDL-2015 on-line libraries). Nuclear data for different production routes of 97Ru and 103Ru are compiled and reviewed.

The microstructure and photoluminescence of ZnO-MoS2 core shell nano-materials

NASA Astrophysics Data System (ADS)

Yu, H.; Liu, C. M.; Huang, X. Y.; Lei, M. Y.

2017-01-01

In this paper, ZnO-MoS2-FT (FT is the fabrication temperature of MoS2) core shell nano-material samples (with ZnO as a core and MoS2 as a shell material) were fabricated on ITO substrate using hydrothermal method. The crystal structure, morphology, optical absorption and photoluminescence (PL) of samples were investigated. Compared with that of pure ZnO nanorods, ZnO-MoS2-FT samples show an enhanced light absorption. In addition, ultraviolet (UV) and visible (Vis) PL intensity of ZnO-MoS2-FT samples excited by 325 nm laser are greatly weakened. The UV PL peak position is not changed obviously. However, the Vis PL peak position is changed visibly. The Vis PL of ZnO-MoS2-FT samples under UV excitation indicates that the ratio of oxygen interstitial to oxygen vacancy is decreased. The suppression of UV PL of ZnO-MoS2-FT samples may be related to the weakening of crystal quality of ZnO, easier separation of electron-hole pairs, enhancement of light absorption, and newly introduced defects in the interface between ZnO and MoS2. Under 514 nm laser excitation, the PL peak position of ZnO-MoS2-FT samples has a red shift with FT being increased from 80 to 160 °C. The influence of excitation power (EP) on the PL of ZnO-MoS2-FT samples was also investigated. The PL of ZnO-MoS2-FT samples have a red shift with EP being increased. This may be due to the sample temperature is increased with EP, resulting an enhancement of electron-phonon interaction. A schematic diagram of charge generation and transfer is presented to understand the mechanism of PL of ZnO-MoS2 under UV and Vis excitation.

Mass Measurements of Proton-Rich Isotopes between Mo and Pd using the Canadian Penning Trap Mass Spectrometer

NASA Astrophysics Data System (ADS)

Fallis, J.; Sharma, K. S.; Sharma, H.; Savard, G.; Levand, A. F.; Sun, T.; Clark, J. A.; Deibel, C.; Parikh, A.; Wrede, C.; Lascar, D.; Segel, R.; Caldwell, S.; Sternberg, M.; van Schelt, J.; Buchinger, F.; Crawford, J. E.; Gulick, S.; Lee, J. K. P.; Li, G.; Scielzo, N. D.; Hecht, A. A.

2008-04-01

In our understanding of the origin of elemental abundances the means of producing the observed abundances of ^92Mo and ^94Mo have long been unknown. These ``light p'' nuclei cannot be adequately produced by the classic p-process alone. The νp-process however, which occurs due to the neutrino wind in core collapse supernovae explosions, involves both proton-capture and neutron-capture reactions and can produce ^92Mo and ^94Mo. The final abundances of these isotopes depend directly on the values of the proton separation energies, Sp, along the reaction path of this process. Recent mass measurements performed with the Canadian Penning Trap Mass Spectrometer have dramatically reduced the uncertainties of Sp values of proton-rich nuclei between Mo and Pd. These measurements and the resulting implications for both the νp-process path and the ^92Mo/^94Mo abundance ratio will be discussed. This work was supported by grants from NSERC, Canada and the U.S. DOE, Nucl. Phys. Div.,under Contract W-31-109-ENG-38

A pressure tuned stop-flow atomic layer deposition process for MoS2 on high porous nanostructure and fabrication of TiO2/MoS2 core/shell inverse opal structure

NASA Astrophysics Data System (ADS)

Li, Xianglin; Puttaswamy, Manjunath; Wang, Zhiwei; Kei Tan, Chiew; Grimsdale, Andrew C.; Kherani, Nazir P.; Tok, Alfred Iing Yoong

2017-11-01

MoS2 thin films are obtained by atomic layer deposition (ALD) in the temperature range of 120-150 °C using Mo(CO)6 and dimethyl disulfide (DMDS) as precursors. A pressure tuned stop-flow ALD process facilitates the precursor adsorption and enables the deposition of MoS2 on high porous three dimensional (3D) nanostructures. As a demonstration, a TiO2/MoS2 core/shell inverse opal (TiO2/MoS2-IO) structure has been fabricated through ALD of TiO2 and MoS2 on a self-assembled multilayer polystyrene (PS) structure template. Due to the self-limiting surface reaction mechanism of ALD and the utilization of pressure tuned stop-flow ALD processes, the as fabricated TiO2/MoS2-IO structure has a high uniformity, reflected by FESEM and FIB-SEM characterization. A crystallized TiO2/MoS2-IO structure can be obtained through a post annealing process. As a 3D photonic crystal, the TiO2/MoS2-IO exhibits obvious stopband reflecting peaks, which can be adjusted through changing the opal diameters as well as the thickness of MoS2 layer.

Mo-doped V2O5 hierarchical nanorod/nanoparticle core/shell porous microspheres with improved performance for cathode of lithium-ion battery

NASA Astrophysics Data System (ADS)

Yu, Haolin; Zeng, Jianyun; Hao, Wen; Zhou, Peng; Wen, Xiaogang

2018-05-01

Mo-doped V2O5 hierarchical nanorod/nanoparticle core/shell porous microspheres (MVHPMs) were prepared via a simple hydrothermal approach using ammonium metavanadate and ammonium molybdate as precursors followed by a thermal annealing process. The samples were characterized by XRD, SEM, TEM, EDS, and XPS carefully; it confirmed that porous microspheres with uniform Mo doping in the V2O5 matrix were obtained, and it contains an inner core self-assembled with 1D nanorods and outer shell consisting of nanoparticles. A plausible growth mechanism of Mo-doped V2O5 (Mo-V2O5) porous microspheres is suggested. The unique microstructure made the Mo-V2O5 hierarchical microspheres a good cathode material for Li-ion battery. The results indicate the synthesized Mo-V2O5 hierarchical microspheres exhibit well-improved electrochemical performance compared to the undoped samples. It delivers a high initial reversible capacity of 282 mAh g-1 at 0.2 C, 208 mAh g-1 at 2 C, and 111 mAh g-1 at 10 C, and it also exhibits good cycling stabilities; a capacity of 144 mAh g-1 is obtained after 200 cycles at 6 C with a capacity retention of > 82%, which is much high than that of pure V2O5 (95 mAh g-1 with a capacity retention of 72%). [Figure not available: see fulltext.

94 Mo(γ,n) and 90Zr(γ,n) cross-section measurements towards understanding the origin of p-nuclei

NASA Astrophysics Data System (ADS)

Meekins, E.; Banu, A.; Karwowski, H.; Silano, J.; Zimmerman, W.; Muller, J.; Rich, G.; Bhike, M.; Tornow, W.; McClesky, M.; Travaglio, C.

2014-09-01

The nucleosynthesis beyond iron of the rarest stable isotopes in the cosmos, the so-called p-nuclei, is one of the forefront topics in nuclear astrophysics. Recently, a stellar source was found that, for the first time, was able to produce both light and heavy p-nuclei almost at the same level as 56Fe, including the most debated 92,94Mo and 96,98Ru; it was also found that there is an important contribution from the p-process nucleosynthesis to the neutron magic nucleus 90Zr. We focus here on constraining the origin of p-nuclei through nuclear physics by studying two key astrophysical photoneutron reaction cross sections for 94Mo(γ,n) and 90Zr(γ,n). Their energy dependencies were measured using quasi-monochromatic photon beams from Duke University's High Intensity Gamma-ray Source facility at the respective neutron threshold energies up to 18 MeV. Preliminary results of these experimental cross sections will be presented along with their comparison to predictions by a statistical model based on the Hauser-Feshbach formalism implemented in codes like TALYS and SMARAGD. The nucleosynthesis beyond iron of the rarest stable isotopes in the cosmos, the so-called p-nuclei, is one of the forefront topics in nuclear astrophysics. Recently, a stellar source was found that, for the first time, was able to produce both light and heavy p-nuclei almost at the same level as 56Fe, including the most debated 92,94Mo and 96,98Ru; it was also found that there is an important contribution from the p-process nucleosynthesis to the neutron magic nucleus 90Zr. We focus here on constraining the origin of p-nuclei through nuclear physics by studying two key astrophysical photoneutron reaction cross sections for 94Mo(γ,n) and 90Zr(γ,n). Their energy dependencies were measured using quasi-monochromatic photon beams from Duke University's High Intensity Gamma-ray Source facility at the respective neutron threshold energies up to 18 MeV. Preliminary results of these experimental cross sections will be presented along with their comparison to predictions by a statistical model based on the Hauser-Feshbach formalism implemented in codes like TALYS and SMARAGD. This research was supported by the Research Corporation for Science Advancement.

Benzoate-Induced High-Nuclearity Silver Thiolate Clusters.

PubMed

Su, Yan-Min; Liu, Wei; Wang, Zhi; Wang, Shu-Ao; Li, Yan-An; Yu, Fei; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di

2018-04-03

Compared with the well-known anion-templated effects in shaping silver thiolate clusters, the influence from the organic ligands in the outer shell is still poorly understood. Herein, three new benzoate-functionalized high-nuclearity silver(I) thiolate clusters are isolated and characterized for the first time in the presence of diverse anion templates such as S 2- , α-[Mo 5 O 18 ] 6- , and MoO 4 2- . Single-crystal X-ray analysis reveals that the nuclearities of the three silver clusters (SD/Ag28, SD/Ag29, SD/Ag30) vary from 32 to 38 to 78 with co-capped tBuS - and benzoate ligands on the surface. SD/Ag28 is a turtle-like cluster comprising a Ag 29 shell caging a Ag 3 S 3 trigon in the center, whereas SD/Ag29 is a prolate Ag 38 sphere templated by the α-[Mo 5 O 18 ] 6- anion. Upon changing from benzoate to methoxyl-substituted benzoate, SD/Ag30 is isolated as a very complicated core-shell spherical cluster composed of a Ag 57 shell and a vase-like Ag 21 S 13 core. Four MoO 4 2- anions are arranged in a supertetrahedron and located in the interstice between the core and shell. Introduction of the bulky benzoate changes elaborately the nuclearity and arrangements of silver polygons on the shell of silver clusters, which is exemplified by comparing SD/Ag28 and a known similar silver thiolate cluster. The three new clusters emit luminescence in the near-infrared (NIR) region and show different thermochromic luminescence properties. This work presents a flexible approach to synthetic studies of high-nuclearity silver clusters decorated by different benzoates, and structural modulations are also achieved. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical study of triaxial shapes of neutron-rich Mo and Ru nuclei

DOE PAGES

Zhang, C. L.; Bhat, G. H.; Nazarewicz, W.; ...

2015-09-10

Here, whether atomic nuclei can possess triaxial shapes at their ground states is still a subject of ongoing debate. According to theory, good prospects for low-spin triaxiality are in the neutron-rich Mo-Ru region. Recently, transition quadrupole moments in rotational bands of even-mass neutron-rich isotopes of molybdenum and ruthenium nuclei have been measured. The new data have provided a challenge for theoretical descriptions invoking stable triaxial deformations. The purpose of this study is to understand experimental data on rotational bands in the neutron-rich Mo-Ru region, we carried out theoretical analysis of moments of inertia, shapes, and transition quadrupole moments of neutron-richmore » even-even nuclei around 110Ru using self-consistent mean-field and shell model techniques. Methods: To describe yrast structures in Mo and Ru isotopes, we use nuclear density functional theory (DFT) with the optimized energy density functional UNEDF0. We also apply triaxial projected shell model (TPSM) to describe yrast and positive-parity, near-yrast band structures. As a result, our self-consistent DFT calculations predict triaxial ground-state deformations in 106,108Mo and 108,110,112Ru and reproduce the observed low-frequency behavior of moments of inertia. As the rotational frequency increases, a negative-gamma structure, associated with the aligned ν(h 11/2) 2 pair, becomes energetically favored. The computed transition quadrupole moments vary with angular momentum, which reflects deformation changes with rotation; those variations are consistent with experiment. The TPSM calculations explain the observed band structures assuming stable triaxial shapes. Lastly, the structure of neutron-rich even-even nuclei around Ru-110 is consistent with triaxial shape deformations. Our DFT and TPSM frameworks provide a consistent and complementary description of experimental data.« less

Hohlraum-driven mid-Z (SiO2) double-shell implosions on the omega laser facility and their scaling to NIF.

PubMed

Robey, H F; Amendt, P A; Milovich, J L; Park, H-S; Hamza, A V; Bono, M J

2009-10-02

High-convergence, hohlraum-driven implosions of double-shell capsules using mid-Z (SiO2) inner shells have been performed on the OMEGA laser facility [T. R. Boehly, Opt. Commun. 133, 495 (1997)]. These experiments provide an essential extension of the results of previous low-Z (CH) double-shell implosions [P. A. Amendt, Phys. Rev. Lett. 94, 065004 (2005)] to materials of higher density and atomic number. Analytic modeling, supported by highly resolved 2D numerical simulations, is used to account for the yield degradation due to interfacial atomic mixing. This extended experimental database from OMEGA enables a validation of the mix model, and provides a means for quantitatively assessing the prospects for high-Z double-shell implosions on the National Ignition Facility [Paisner, Laser Focus World 30, 75 (1994)].

Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations.

PubMed

Konstantinou, Konstantinos; Sushko, Peter V; Duffy, Dorothy M

2016-09-21

The nature of chemical bonding of molybdenum in high level nuclear waste glasses has been elucidated by ab initio molecular dynamics simulations. Two compositions, (SiO 2 ) 57.5 -(B 2 O 3 ) 10 -(Na 2 O) 15 -(CaO) 15 -(MoO 3 ) 2.5 and (SiO 2 ) 57.3 -(B 2 O 3 ) 20 -(Na 2 O) 6.8 -(Li 2 O) 13.4 -(MoO 3 ) 2.5 , were considered in order to investigate the effect of ionic and covalent components on the glass structure and the formation of the crystallisation precursors (Na 2 MoO 4 and CaMoO 4 ). The coordination environments of Mo cations and the corresponding bond lengths calculated from our model are in excellent agreement with experimental observations. The analysis of the first coordination shell reveals two different types of molybdenum host matrix bonds in the lithium sodium borosilicate glass. Based on the structural data and the bond valence model, we demonstrate that the Mo cation can be found in a redox state and the molybdate tetrahedron can be connected with the borosilicate network in a way that inhibits the formation of crystalline molybdates. These results significantly extend our understanding of bonding in Mo-containing nuclear waste glasses and demonstrate that tailoring the glass composition to specific heavy metal constituents can facilitate incorporation of heavy metals at high concentrations.

Systematic study of α decay of nuclei around the Z =82 , N =126 shell closures within the cluster-formation model and proximity potential 1977 formalism

NASA Astrophysics Data System (ADS)

Deng, Jun-Gang; Zhao, Jie-Cheng; Chu, Peng-Cheng; Li, Xiao-Hua

2018-04-01

In the present work, we systematically study the α decay preformation factors Pα within the cluster-formation model and α decay half-lives by the proximity potential 1977 formalism for nuclei around Z =82 ,N =126 closed shells. The calculations show that the realistic Pα is linearly dependent on the product of valance protons (holes) and valance neutrons (holes) NpNn . It is consistent with our previous works [Sun et al., Phys. Rev. C 94, 024338 (2016), 10.1103/PhysRevC.94.024338; Deng et al., Phys. Rev. C 96, 024318 (2017), 10.1103/PhysRevC.96.024318], in which Pα are model dependent and extracted from the ratios of calculated α half-lives to experimental data. Combining with our previous works, we confirm that the valance proton-neutron interaction plays a key role in the α preformation for nuclei around Z =82 ,N =126 shell closures whether the Pα is model dependent or microcosmic. In addition, our calculated α decay half-lives by using the proximity potential 1977 formalism taking Pα evaluated by the cluster-formation model can well reproduce the experimental data and significantly reduce the errors.

Tunable Free-Standing Core-Shell CNT@MoSe2 Anode for Lithium Storage.

PubMed

Yousaf, Muhammad; Wang, Yunsong; Chen, Yijun; Wang, Zhipeng; Aftab, Waseem; Mahmood, Asif; Wang, Wei; Guo, Shaojun; Han, Ray P S

2018-05-02

Heterogeneous nanostructuring of MoSe 2 over a carbon nanotube (CNT) sponge as a free-standing electrode not only brings higher performance but also eliminates the need for dead elements such as a binder, conductive carbon, and supportive current collectors. Further, the porous CNT sponge can be easily compacted via an intense densification of the active material MoSe 2 to produce an electrode with a high mass loading for a significantly improved areal capacity. In this work, we present a tunable coating of MoSe 2 on a CNT sponge to fabricate a core-shell MoSe 2 @CNT anode. The three-dimensional nanotubular sponge is synthesized via a solvothermal process, followed by thermal annealing to improve crystallization. Structural and morphological studies revealed that MoSe 2 grew as a layered structure ( d = 0.66 nm), where numbers of layers can be controlled to yield optimized results for Li + storage. We showed that the 10-layer core-shell CNT@MoSe 2 hybrid sponge delivered a discharge capacity of 820.5 mAh g -1 after 100 cycles at 100 mA g -1 with a high cyclic stability and rate capability. Further, an ex situ structural and morphological analysis revealed that ionic storage causes a phase change in MoSe 2 from a crystalline to a partial amorphous state for a continuous increase in the capacity with extended cycling. We believe that the strategy developed here will assist users to tune the electrode materials for future energy-storage devices, especially how the materials are changing with the passage of time and their effects on the device performance.

Radation shielding pellets

DOEpatents

Coomes, Edmund P.; Luksic, Andrzej T.

1988-12-06

Radiation pellets having an outer shell, preferably, of Mo, W or depleted U nd an inner filling of lithium hydride wherein the outer shell material has a greater melting point than does the inner filling material.

Wear measurement using radioactive tracer technique based on proton, deuteron and α-particle induced nuclear reactions on molybdenum

NASA Astrophysics Data System (ADS)

Ditrói, F.; Tárkányi, F.; Takács, S.

2012-11-01

Excitation functions of light ion induced nuclear reactions on natural molybdenum have been studied in the frame of a systematic investigation of charged particle induced nuclear reactions on metals for various applications. Excitation functions of 93,94g,94m,95g,95m,96,99mTc, 90,93m,99Mo, 90,91m,92m,95m,95g,96Nb and 88,89Zr were measured up to 50 MeV deuteron energy Tárkányi et al., 2012 [1], 93m,93g,94m,94g,95m,95g,96g,99mTc, 90,93m,99Mo, 90,92m,95m,95g,96Nb and 88,89Zr were measured up to 40 MeV proton energy Tárkányi et al., 2012 [2] and 93m,93g,94m,94g,95m,95g,96g,99mTc, 93m,99Mo, 90Nb, 94,95,97,103Ru and 88Zr were measured up to 40 MeV alpha energy Ditrói et al., 2012 [3] by using the stacked foil technique and activation method. The results for 3He induced reactions on natural Mo were taken from the literature Comparetto and Qaim, 1980 [4]. According to their half-lives, from the above listed radionuclides the 95m,96Tc, 91m,92m,95m,95gNb, 99Mo, 103,97Ru and 88Zr are suitable candidates for wear measurement by using thin layer activation (TLA) method. The goal of this work was to determine the necessary nuclear data for TLA of the above radionuclides and to prove their applicability for wear measurements.

The neutron capture process in the He shell in core-collapse supernovae: Presolar silicon carbide grains as a diagnostic tool for nuclear astrophysics

NASA Astrophysics Data System (ADS)

Pignatari, Marco; Hoppe, Peter; Trappitsch, Reto; Fryer, Chris; Timmes, F. X.; Herwig, Falk; Hirschi, Raphael

2018-01-01

Carbon-rich presolar grains are found in primitive meteorites, with isotopic measurements to date suggesting a core-collapse supernovae origin site for some of them. This holds for about 1-2% of presolar silicon carbide (SiC) grains, so-called Type X and C grains, and about 30% of presolar graphite grains. Presolar SiC grains of Type X show anomalous isotopic signatures for several elements heavier than iron compared to the solar abundances: most notably for strontium, zirconium, molybdenum, ruthenium and barium. We study the nucleosynthesis of zirconium and molybdenum isotopes in the He-shell of three core-collapse supernovae models of 15, 20 and 25 M⊙ with solar metallicity, and compare the results to measurements of presolar grains. We find the stellar models show a large scatter of isotopic abundances for zirconium and molybdenum, but the mass averaged abundances are qualitatively similar to the measurements. We find all models show an excess of 96Zr relative to the measurements, but the model abundances are affected by the fractionation between Sr and Zr since a large contribution to 90Zr is due to the radiogenic decay of 90Sr. Some supernova models show excesses of 95,97Mo and depletion of 96Mo relative to solar. The mass averaged distribution from these models shows an excess of 100Mo, but this may be alleviated by very recent neutron-capture cross section measurements. We encourage future explorations to assess the impact of the uncertainties in key neutron-capture reaction rates that lie along the n-process path.

Coupling Mo2C@C core-shell nanocrystals on 3D graphene hybrid aerogel for high-performance lithium ion battery

NASA Astrophysics Data System (ADS)

Xin, Hailin; Hai, Yang; Li, Dongzhi; Qiu, Zhaozheng; Lin, Yemao; Yang, Bo; Fan, Haosen; Zhu, Caizhen

2018-05-01

Hybrid aerogel by dispersing Mo2C@C core-shell nanocrystals into three-dimensional (3D) graphene (Mo2C@C-GA) has been successfully prepared through two-step methods. Firstly, carbon-coated MoO2 nanocrystals uniformly anchor on 3D graphene aerogel (MoO2@C-GA) via hydrothermal reaction. Then the MoO2@C-GA precursor is transformed into Mo2C@C-GA after the following carbonization process. Furthermore, the freeze-drying step plays an important role in the resulting pore size distribution of the porous networks. Moreover, graphene aerogels exhibit extremely low densities and superior electrical properties. When evaluated as anode material for lithium ion battery, Mo2C@C-GA delivers excellent rate capability and stable cycle performance when compared with C-GA and Mo2C nanoparticles. Mo2C@C-GA exhibits the initial discharge capacity of 1461.4 mA h g-1 at the current density of 0.1 A g-1, and retains a reversible capacity of 1089.8 mA h g-1 after 100 cycles at a current density of 0.1 A g-1. Even at high current density of 5 A g-1, a discharge capacity of 623.5 mA h g-1 can be still achieved. The excellent performance of Mo2C@C-GA could be attributed to the synergistic effect of Mo2C@C nanocrystals and the 3D graphene conductive network.

MoS2 /Carbon Nanotube Core-Shell Nanocomposites for Enhanced Nonlinear Optical Performance.

PubMed

Zhang, Xiaoyan; Selkirk, Andrew; Zhang, Saifeng; Huang, Jiawei; Li, Yuanxin; Xie, Yafeng; Dong, Ningning; Cui, Yun; Zhang, Long; Blau, Werner J; Wang, Jun

2017-03-08

Nanocomposites of layered MoS 2 and multi-walled carbon nanotubes (CNTs) with core-shell structure were prepared by a simple solvothermal method. The formation of MoS 2 nanosheets on the surface of coaxial CNTs has been confirmed by scanning electron microscopy, transmission electron microscopy, absorption spectrum, Raman spectroscopy, and X-ray photoelectron spectroscopy. Enhanced third-order nonlinear optical performances were observed for both femtosecond and nanosecond laser pulses over a broad wavelength range from the visible to the near infrared, compared to those of MoS 2 and CNTs alone. The enhancement can be ascribed to the strong coupling effect and the photoinduced charge transfer between MoS 2 and CNTs. This work affords an efficient way to fabricate novel CNTs based nanocomposites for enhanced nonlinear light-matter interaction. The versatile nonlinear properties imply a huge potential of the nanocomposites in the development of nanophotonic devices, such as mode-lockers, optical limiters, or optical switches. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Neutrino-Induced Nucleosynthesis in Helium Shells of Early Core-Collapse Supernovae

NASA Astrophysics Data System (ADS)

Banerjee, Projjwal; Qian, Yong-Zhong; Heger, Alexander; Haxton, Wick

2016-02-01

We summarize our studies on neutrino-driven nucleosynthesis in He shells of early core-collapse supernovae with metallicities of Z ≲ 10-3 Z⊙. We find that for progenitors of ˜ 11-15 M⊙, the neutrons released by 4He(ν¯ee, e+n)3H in He shells can be captured to produce nuclei with mass numbers up to A ˜ 200. This mechanism is sensitive to neutrino emission spectra and flavor oscillations. In addition, we find two new primary mechanisms for neutrino-induced production of 9Be in He shells. The first mechanism produces 9Be via 7Li(n,γ)8Li(n,γ)9Li(e- ν¯ee)9Be and relies on a low explosion energy for its survival. The second mechanism operates in progenitors of ˜ 8 M⊙, where 9Be can be produced directly via 7Li(3H, n0)9Be during the rapid expansion of the shocked Heshell material. The light nuclei 7Li and 3H involved in these mechanisms are produced by neutrino interactions with 4He. We discuss the implications of neutrino-induced nucleosynthesis in He shells for interpreting the elemental abundances in metal-poor stars.

Dielectronic Satellite Spectra of Na-like Mo Ions Benchmarked by LLNL EBIT with Application to HED Plasmas

NASA Astrophysics Data System (ADS)

Stafford, A.; Safronova, A. S.; Kantsyrev, V. L.; Safronova, U. I.; Petkov, E. E.; Shlyaptseva, V. V.; Childers, R.; Shrestha, I.; Beiersdorfer, P.; Hell, H.; Brown, G. V.

2017-10-01

Dielectronic recombination (DR) is an important process for astrophysical and laboratory high energy density (HED) plasmas and the associated satellite lines are frequently used for plasma diagnostics. In particular, K-shell DR satellite lines were studied in detail in low-Z plasmas. L-shell Na-like spectral features from Mo X-pinches considered here represent the blend of DR and inner shell satellites and motivated the detailed study of DR at the EBIT-1 electron beam ion trap at LLNL. In these experiments the beam energy was swept between 0.6 - 2.4 keV to produce resonances at certain electron beam energies. The advantages of using an electron beam ion trap to better understand atomic processes with highly ionized ions in HED Mo plasma are highlighted. This work was supported by NNSA under DOE Grant DE-NA0002954. Work at LLNL was performed under the auspices of the U.S. DOE under Contract No. DE-AC52-07NA27344.

A novel two-level dielectric barrier discharge reactor for methyl orange degradation.

PubMed

Tao, Xumei; Wang, Guowei; Huang, Liang; Ye, Qingguo; Xu, Dongyan

2016-12-15

A novel pilot two-level dielectric barrier discharge (DBD) reactor has been proposed and applied for degradation of continuous model wastewater. The two-level DBD reactor was skillfully realized with high space utilization efficiency and large contact area between plasma and wastewater. Various conditions such as applied voltage, initial concentration and initial pH value on methyl orange (MO) model wastewater degradation were investigated. The results showed that the appropriate applied voltage was 13.4 kV; low initial concentration and low initial pH value were conducive for MO degradation. The percentage removal of 4 L MO with concentration of 80 mg/L reached 94.1% after plasma treatment for 80min. Based on ultraviolet spectrum (UV), Infrared spectrum (IR), liquid chromatography-mass spectrometry (LC-MS) analysis of degradation intermediates and products, insights in the degradation pathway of MO were proposed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Organizational Forms of Matter: An Inorganic Super Fullerene and Keplerate Based on Molybdenum Oxide.

PubMed

Müller, Achim; Krickemeyer, Erich; Bögge, Hartmut; Schmidtmann, Marc; Peters, Frank

1998-12-31

Plato and Kepler would have been pleased. Despite the large number of atoms present the cluster anion 1 resembles an icosahedral-type structure. This represents definitively an unprecedented event in chemistry! The structure is made up of 12 {Mo 11 } fragments such that the fivefold symmetry axes are retained in the resulting spherical object. As an inscribed icosahedron can be recognized in the spherical shell of 1 (see picture), similarities with Kepler's famous shell model of the cosmos can be seen. © 1998 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Process Tailoring and the Software Capability Maturity Model(sm).

DTIC Science & Technology

1995-11-01

A Discipline For Software Engineering, Addison-Wesley, 1995; Humphrey . This book summarizes the costs and benefits of a Personal Software Process ( PSP ...1994. [Humphrey95] Humphrey , Watts S . A Discipline For Software Engineering. Reading, MA: Addison-Wesley Publishing Company, 1995. CMUISEI-94-TR-24 43...practiced and institutionalized. 8 CMU/SEI-94-TR-24 . Leveraging mo n o s I cDocument" IRevise & Analyze Organizational LessonsApproach ’"- Define Processes

Three-dimensional TiO2 nanowire@NiMoO4 ultrathin nanosheet core-shell arrays for lithium ion batteries

NASA Astrophysics Data System (ADS)

Cao, Minglei; Bu, Yi; Lv, Xiaowei; Jiang, Xingxing; Wang, Lichuan; Dai, Sirui; Wang, Mingkui; Shen, Yan

2018-03-01

This study reports a general and rational two-step hydrothermal strategy to fabricate three-dimensional (3D) TiO2 nanowire@NiMoO4 ultrathin nanosheet core-shell arrays (TNAs-NMO) as additives-free anodes for lithium-ion batteries (LIBs). The TNAs-NMO electrode delivers a reversible capacity of up to 446.6 mA h g-1 over 120 cycles at the current density of 0.2 A g-1 and a high rate capacity of 234.2 mA h g-1 at 2.0 A g-1. Impressively, the capacity retention efficiency is 74.7% after 2500 cycles at the high rate of 2.0 A g-1. In addition, the full cell consisting of TNAs-NMO anode and LCO cathode can afford a specific energy of up to 220.3 W h kg-1 (based on the entire mass of both electrodes). The high electrochemical performance of the TNAs-NMO electrode is ascribed to its 3D core-shell nanowire array architecture, in which the TiO2 nanowire arrays (TNAs) and the ultrathin NiMoO4 nanosheets exhibit strong synergistic effects. The TNAs maintain mechanical integrity of the electrode and the ultrathin NiMoO4 nanosheets contribute to high capacity and favorable electronic conductivity.

Construction of Core-Shell NiMoO4@Ni-Co-S Nanorods as Advanced Electrodes for High-Performance Asymmetric Supercapacitors.

PubMed

Chen, Chao; Yan, Dan; Luo, Xin; Gao, Wenjia; Huang, Guanjie; Han, Ziwu; Zeng, Yan; Zhu, Zhihong

2018-02-07

In this work, hierarchical core-shell NiMoO 4 @Ni-Co-S nanorods were first successfully grown on nickel foam by a facile two-step method to fabricate a bind-free electrode. The well-aligned electrode wrapped by Ni-Co-S nanosheets displays excellent nanostructural properties and outstanding electrochemical performance, owing to the synergistic effects of both nickel molybdenum oxides and nickel cobalt sulfides. The prepared core-shell nanorods in a three-electrode cell yielded a high specific capacitance of 2.27 F cm -2 (1892 F g -1 ) at a current density of 5 mA cm -2 and retained 91.7% of the specific capacitance even after 6000 cycles. Their electrochemical performance was further investigated for their use as positive electrode for asymmetric supercapacitors. Notably, the energy density of the asymmetric supercapacitor device reached 2.45 mWh cm -3 at a power density of 0.131 W cm -3 , and still retained a remarkable 80.3% of the specific capacitance after 3500 cycles. There is great potential for the electrode composed of the core-shell NiMoO 4 @Ni-Co-S nanorods for use in an all-solid-state asymmetric supercapacitor device.

Local environments and transport properties of heavily doped strontium barium niobates Sr0.5Ba0.5Nb2O6

NASA Astrophysics Data System (ADS)

Ottini, Riccardo; Tealdi, Cristina; Tomasi, Corrado; Tredici, Ilenia G.; Soffientini, Alessandro; Burriel, Ramón; Palacios, Elías; Castro, Miguel; Anselmi-Tamburini, Umberto; Ghigna, Paolo; Spinolo, Giorgio

2018-02-01

Undoped as well as K-doped (40%), Y-doped (40%), Zr-doped (10%), and Mo-doped (12.5%) strontium barium niobate Sr0.5Ba0.5Nb2O6 (SBN50) materials have been investigated to explore the effect of heavy doping on the structural and functional properties (thermo-power, thermal and electrical conductivities) both in the as prepared (oxidized) and reduced states. For all materials, the EXAFS spectra at the Nb - K edge can be consistently analyzed with the same model of six shells around the Nb sites. Doping mostly gives a simple size effect on the structural parameters, but doping on the Nb sites weakens the Nb-O bond regardless of dopant size and charge. Shell sizes and Debye-Waller factors are almost unaffected by temperature and oxidation state, and the disorder is of static nature. The functional effects of heavy doping do not agree with a simple model of hole or electron injection by aliovalent substitutions on a large band gap semiconductor. With respect to the undoped samples, doping with Mo depresses the thermal conductivity by 30%, Y doping enhances the electrical conductivity by an order of magnitude, while Zr doping increases the Seebeck coefficient by a factor of 2-3. Globally, the ZT efficiency factor of the K-, Y-, and Zr-doped samples is enhanced at least by one order of magnitude with respect to the undoped or Mo-doped materials.

On the genesis of molybdenum carbide phases during reduction-carburization reactions

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

Guil-Lopez, R., E-mail: rut.guil@icp.csic.es; Nieto, E.; Departamento de Tecnologia Quimica y Energetica, ESCET, Universidad Rey Juan Carlos, C/Tulipan s/n, 28933-Mostoles

2012-06-15

Molybdenum carbide has been prepared according to the carbothermal reduction method. Carbon black substrate was used as C-source whereas a H{sub 2}-flow was the reducing agent. Two different H{sub 2} consumption steps were identified during the carburization treatment. The low temperature step is related to the reduction of Mo{sup 6+}-to-Mo{sup 4+}, the higher temperature process accounts for the deep reduction of Mo{sup 4+}-to-metal Mo{sup 0} and its subsequent reaction with C to form the Mo-carbide. The influences of the maximum carburization temperature, carburization time, gas hourly space velocity regarding Mo-loading, heating rate and temperature of Ar pre-treatment were analyzed. Allmore » these conditions are interrelated to each other. Thus, the carburization process ends at 700 Degree-Sign C when Mo-loading is 10 wt%, however Mo-loading higher than 10 wt% requires higher temperatures. Carburization temperatures up to 800 Degree-Sign C are needed to fulfill Mo-carbide formation with samples containing 50 wt% Mo. Nevertheless, Ar pre-treatment at 550 Degree-Sign C and slow heating rates favor the carburization, thus requiring lower carburization temperatures to reach the same carburization level. - Graphical Abstract: H{sub 2}-consumption profile (TPR) during the molybdenum carburization process, XRD patterns of the reduced Mo-samples after carburization and TEM-micrographs with two different enlargement of the samples with 5, 20 and 50 wt% Mo. Highlights: Black-Right-Pointing-Pointer Control of carburization variables: tailor the reduced/carbide Mo-phases (single/mixture). Black-Right-Pointing-Pointer Mo carburization in two stages: (1) Mo{sup 6+}-Mo{sup 4+}; (2) Mo{sup 4+}-Mo{sup 0} and, at once, MoC. Black-Right-Pointing-Pointer The carburization process is faster than Mo{sup 4+} reduction. Black-Right-Pointing-Pointer XPS probed: reduced Mo particles show core-shell structure. Black-Right-Pointing-Pointer Core: reduced Mo (Mo{sub 2}C, MoO{sub 2} and/or Mo{sup 0}); Shell: 2-3 nm of MoO{sub 3}.« less

Mechanical properties of Mo-Si-B alloys fabricated by using core-shell powder with dispersion of yttria nanoparticles

NASA Astrophysics Data System (ADS)

Byun, Jong Min; Bang, Su-Ryong; Choi, Won June; Kim, Min Sang; Noh, Goo Won; Kim, Young Do

2017-01-01

In recent years, refractory materials with excellent high-temperature properties have been in the spotlight as a next generation's high-temperature materials. Among these, Mo-Si-B alloys composed of two intermetallic compound phases (Mo5SiB2 and Mo3Si) and a ductile α-Mo phase have shown an outstanding thermal properties. However, due to the brittleness of the intermetallic compound phases, Mo-Si-B alloys were restricted to apply for the structural materials. So, to enhance the mechanical properties of Mo-Si-B alloys, many efforts to add rare-earth oxide particles in the Mo-Si-B alloy were performed to induce the improvement of strength and fracture toughness. In this study, to investigate the effect of adding nano-sized Y2O3 particles in Mo-Si-B alloy, a core-shell powder consisting of intermetallic compound phases as the core and nano-sized α-Mo and Y2O3 particles surrounding the core was fabricated. Then pressureless sintering was carried out at 1400 °C for 3 h, and the mechanical properties of sintered bodies with different amounts of Y2O3 particles were evaluated by Vickers hardness and 3-point bending test. Vickers hardness was improved by dispersed Y2O3 particles in the Mo-Si-B alloy. Especially, Mo-3Si-1B-1.5Y2O3 alloy had the highest value, 589 Hv. The fracture toughness was measured using Mo-3Si-1B-1.5Y2O3 alloy and the value indicated as 13.5 MPa·√m.

Improved Shell models for screened Coulomb balls

NASA Astrophysics Data System (ADS)

Bonitz, M.; Kaehlert, H.; Henning, C.; Baumgartner, H.; Filinov, A.

2006-10-01

Spherical Coulomb crystals in dusty plasmas [1] are well described by an isotropic Yukawa-type pair interaction and an external parabolic confinement as was shown by extensive molecular dynamics simulations [2]. A much simpler description is possible with analytical shell models which have been derived for Yukawas plasmas in [3,4]. Here we analyze improved Yukawa shell models which include correlations along the lines proposed for Coulomb crystals in [5]. The shell configurations are efficiently evaluated using a Monte Carlo procedure. [1] O. Arp, A. Piel and A. Melzer, Phys. Rev. Lett. 93, 165004 (2004). [2] M. Bonitz, D. Block, O. Arp, V. Golunychiy, H. Baumgartner, P. Ludwig, A. Piel and A. Filinov, Phys. Rev. Lett. 96, 075001 (2006). [3] H. Totsuji, C. Totsuji, T. Ogawa, and K. Tsuruta, Phys. Rev. E 71, 045401 (2005). [4] C. Henning, M. Bonitz, A. Piel, P. Ludwig, H. Baumgartner, V. Golubnichiy, and D. Block, submitted to Phys. Rev. E [5] W.D. Kraeft and M. Bonitz, J. Phys. Conf. Ser. 35, 94 (2006).

A facile one-pot oxidation-assisted dealloying protocol to massively synthesize monolithic core-shell architectured nanoporous copper@cuprous oxide nanonetworks for photodegradation of methyl orange

PubMed Central

Liu, Wenbo; Chen, Long; Dong, Xin; Yan, Jiazhen; Li, Ning; Shi, Sanqiang; Zhang, Shichao

2016-01-01

In this report, a facile and effective one-pot oxidation-assisted dealloying protocol has been developed to massively synthesize monolithic core-shell architectured nanoporous copper@cuprous oxide nanonetworks (C-S NPC@Cu2O NNs) by chemical dealloying of melt-spun Al 37 at.% Cu alloy in an oxygen-rich alkaline solution at room temperature, which possesses superior photocatalytic activity towards photodegradation of methyl orange (MO). The experimental results show that the as-prepared nanocomposite exhibits an open, bicontinuous interpenetrating ligament-pore structure with length scales of 20 ± 5 nm, in which the ligaments comprising Cu and Cu2O are typical of core-shell architecture with uniform shell thickness of ca. 3.5 nm. The photodegradation experiments of C-S NPC@Cu2O NNs show their superior photocatalytic activities for the MO degradation under visible light irradiation with degradation rate as high as 6.67 mg min−1 gcat−1, which is a diffusion-controlled kinetic process in essence in light of the good linear correlation between photodegradation ratio and square root of irradiation time. The excellent photocatalytic activity can be ascribed to the synergistic effects between unique core-shell architecture and 3D nanoporous network with high specific surface area and fast mass transfer channel, indicating that the C-S NPC@Cu2O NNs will be a promising candidate for photocatalysts of MO degradation. PMID:27830720

A facile one-pot oxidation-assisted dealloying protocol to massively synthesize monolithic core-shell architectured nanoporous copper@cuprous oxide nanonetworks for photodegradation of methyl orange

NASA Astrophysics Data System (ADS)

Liu, Wenbo; Chen, Long; Dong, Xin; Yan, Jiazhen; Li, Ning; Shi, Sanqiang; Zhang, Shichao

2016-11-01

In this report, a facile and effective one-pot oxidation-assisted dealloying protocol has been developed to massively synthesize monolithic core-shell architectured nanoporous copper@cuprous oxide nanonetworks (C-S NPC@Cu2O NNs) by chemical dealloying of melt-spun Al 37 at.% Cu alloy in an oxygen-rich alkaline solution at room temperature, which possesses superior photocatalytic activity towards photodegradation of methyl orange (MO). The experimental results show that the as-prepared nanocomposite exhibits an open, bicontinuous interpenetrating ligament-pore structure with length scales of 20 ± 5 nm, in which the ligaments comprising Cu and Cu2O are typical of core-shell architecture with uniform shell thickness of ca. 3.5 nm. The photodegradation experiments of C-S NPC@Cu2O NNs show their superior photocatalytic activities for the MO degradation under visible light irradiation with degradation rate as high as 6.67 mg min-1 gcat-1, which is a diffusion-controlled kinetic process in essence in light of the good linear correlation between photodegradation ratio and square root of irradiation time. The excellent photocatalytic activity can be ascribed to the synergistic effects between unique core-shell architecture and 3D nanoporous network with high specific surface area and fast mass transfer channel, indicating that the C-S NPC@Cu2O NNs will be a promising candidate for photocatalysts of MO degradation.

Thermal oxidative degradation kinetics of agricultural residues using distributed activation energy model and global kinetic model.

PubMed

Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

2018-08-01

The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

Single-step synthesis of Er3+ and Yb3+ ions doped molybdate/Gd2O3 core-shell nanoparticles for biomedical imaging

NASA Astrophysics Data System (ADS)

Kamińska, Izabela; Elbaum, Danek; Sikora, Bożena; Kowalik, Przemysław; Mikulski, Jakub; Felcyn, Zofia; Samol, Piotr; Wojciechowski, Tomasz; Minikayev, Roman; Paszkowicz, Wojciech; Zaleszczyk, Wojciech; Szewczyk, Maciej; Konopka, Anna; Gruzeł, Grzegorz; Pawlyta, Mirosława; Donten, Mikołaj; Ciszak, Kamil; Zajdel, Karolina; Frontczak-Baniewicz, Małgorzata; Stępień, Piotr; Łapiński, Mariusz; Wilczyński, Grzegorz; Fronc, Krzysztof

2018-01-01

Nanostructures as color-tunable luminescent markers have become major, promising tools for bioimaging and biosensing. In this paper separated molybdate/Gd2O3 doped rare earth ions (erbium, Er3+ and ytterbium, Yb3+) core-shell nanoparticles (NPs), were fabricated by a one-step homogeneous precipitation process. Emission properties were studied by cathodo- and photoluminescence. Scanning electron and transmission electron microscopes were used to visualize and determine the size and shape of the NPs. Spherical NPs were obtained. Their core-shell structures were confirmed by x-ray diffraction and energy-dispersive x-ray spectroscopy measurements. We postulated that the molybdate rich core is formed due to high segregation coefficient of the Mo ion during the precipitation. The calcination process resulted in crystallization of δ/ξ (core/shell) NP doped Er and Yb ions, where δ—gadolinium molybdates and ξ—molybdates or gadolinium oxide. We confirmed two different upconversion mechanisms. In the presence of molybdenum ions, in the core of the NPs, Yb3+-{{{{MoO}}}4}2- (∣2F7/2, 3T2〉) dimers were formed. As a result of a two 980 nm photon absorption by the dimer, we observed enhanced green luminescence in the upconversion process. However, for the shell formed by the Gd2O3:Er, Yb NPs (without the Mo ions), the typical energy transfer upconversion takes place, which results in red luminescence. We demonstrated that the NPs were transported into cytosol of the HeLa and astrocytes cells by endocytosis. The core-shell NPs are sensitive sensors for the environment prevailing inside (shorter luminescence decay) and outside (longer luminescence decay) of the tested cells. The toxicity of the NPs was examined using MTT assay.

An extension of the fenske-hall LCAO method for approximate calculations of inner-shell binding energies of molecules

NASA Astrophysics Data System (ADS)

Zwanziger, Ch.; Reinhold, J.

1980-02-01

The approximate LCAO MO method of Fenske and Hall has been extended to an all-election method allowing the calculation of inner-shell binding energies of molecules and their chemical shifts. Preliminary results are given.

Two-dimensional membrane as elastic shell with proof on the folds revealed by three-dimensional atomic mapping

NASA Astrophysics Data System (ADS)

Zhao, Jiong; Deng, Qingming; Ly, Thuc Hue; Han, Gang Hee; Sandeep, Gorantla; Rümmeli, Mark H.

2015-11-01

The great application potential for two-dimensional (2D) membranes (MoS2, WSe2, graphene and so on) aroused much effort to understand their fundamental mechanical properties. The out-of-plane bending rigidity is the key factor that controls the membrane morphology under external fields. Herein we provide an easy method to reconstruct the 3D structures of the folded edges of these 2D membranes on the atomic scale, using high-resolution (S)TEM images. After quantitative comparison with continuum mechanics shell model, it is verified that the bending behaviour of the studied 2D materials can be well explained by the linear elastic shell model. And the bending rigidities can thus be derived by fitting with our experimental results. Recall almost only theoretical approaches can access the bending properties of these 2D membranes before, now a new experimental method to measure the bending rigidity of such flexible and atomic thick 2D membranes is proposed.

Three-Dimensional NiCo2O4@MnMoO4 Core-Shell Nanoarrays for High-Performance Asymmetric Supercapacitors.

PubMed

Yuan, Yuliang; Wang, Weicheng; Yang, Jie; Tang, Haichao; Ye, Zhizhen; Zeng, Yujia; Lu, Jianguo

2017-10-10

Design of new materials with sophisticated nanostructure has been proven to be an efficient strategy to improve their properties in many applications. Herein, we demonstrate the successful combination of high electron conductive materials of NiCo 2 O 4 with high capacitance materials of MnMoO 4 by forming a core-shell nanostructure. The NiCo 2 O 4 @MnMoO 4 core-shell nanoarrays (CSNAs) electrode possesses high capacitance of 1169 F g -1 (4.24 F cm -2 ) at a current density of 2.5 mA cm -2 , obviously larger than the pristine NiCo 2 O 4 electrode. The asymmetric supercapacitors (ASCs), assembled with NiCo 2 O 4 @MnMoO 4 CSNAs as binder-free cathode and active carbon (AC) as anode, exhibit high energy density of 15 Wh kg -1 and high power density of 6734 W kg -1 . Cycle performance of NiCo 2 O 4 @MnMoO 4 CSNAs//AC ASCs, conducted at current density of 20 mA cm -2 , remain 96.45% of the initial capacitance after 10,000 cycles, demonstrating its excellent long-term cycle stability. Kinetically decoupled analysis reveals that the capacitive capacitance is dominant in the total capacitance of NiCo 2 O 4 @MnMoO 4 CSNAs electrode, which may be the reason for ultra long cycle stability of ASCs. Our assembled button ASC can easily light up a red LED for 30 min and a green LED for 10 min after being charged for 30 s. The remarkable electrochemical performance of NiCo 2 O 4 @MnMoO 4 CSNAs//AC ASCs is attributed to its enhanced surface area, abundant electroactive sites, facile electrolyte infiltration into the 3D NiCo 2 O 4 @MnMnO 4 nanoarrays and fast electron and ion transport path.

Covalent Electron Transfer Theory of Superconductivity

DTIC Science & Technology

1992-06-19

carriers. This situation is analogous to a vacuum diode without space charge, where each electron emitted from the cathode arrives at the anode before...Generic MO energy level diagram for a do cation in an oxygen octahedral complex. 89 53 Band model approximation of the MO states of a Cu perovskite ...C2) CuO4 complex. 94 57 p-type 3d 2,2-2p a Cu2+-O-Cu3+ covalent transfer in I 80-deg perovskite bond 95 geometry for d9 - d8(low-spin). xi LIST OF

Rational Design of Hierarchically Core-Shell Structured Ni3 S2 @NiMoO4 Nanowires for Electrochemical Energy Storage.

PubMed

Chen, Fangshuai; Ji, Shan; Liu, Quanbing; Wang, Hui; Liu, Hao; Brett, Dan J L; Wang, Guoxiu; Wang, Rongfang

2018-05-30

Rational design and controllable synthesis of nanostructured materials with unique microstructure and excellent electrochemical performance for energy storage are crucially desired. In this paper, a facile method is reported for general synthesis of hierarchically core-shell structured Ni 3 S 2 @NiMoO 4 nanowires (NWs) as a binder-free electrode for asymmetric supercapacitors. Due to the intimate contact between Ni 3 S 2 and NiMoO 4 , the hierarchical structured electrodes provide a promising unique structure for asymmetric supercapacitors. The as-prepared binder-free Ni 3 S 2 @NiMoO 4 electrode can significantly improve the electrical conductivity between Ni 3 S 2 and NiMoO 4 , and effectively avoid the aggregation of NiMoO 4 nanosheets, which provide more active space for storing charge. The Ni 3 S 2 @NiMoO 4 electrode presents a high areal capacity of 1327.3 µAh cm -2 and 67.8% retention of its initial capacity when current density increases from 2 to 40 mA cm -2 . In a two-electrode Ni 3 S 2 @NiMoO 4 //active carbon cell, the active materials deliver a high energy density of 121.5 Wh kg -1 at a power density of 2.285 kW kg -1 with excellent cycling stability. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

TRACKING A SALMONELLA SEROVAR TYPHIMURIUM OUTBREAK IN GIDEON, MISSOURI: ROLE OF CONTAMINANT PROPAGATION MODELLING

EPA Science Inventory

In early 12/93, a waterborne disease outbreak was identified in Gideon, MO. Initially 6-9 cases of diarrhoea were identified at a local nursing home. By 1/8/94, 31 cases with lbarotory confirmed salmonellosis had been identified. Seven nursing home residents exhibiting diarrhoeal...

Advanced Kr Atomic Structure and Ionization Kinetics for Pinches on ZR

NASA Astrophysics Data System (ADS)

Dasgupta, Arati; Clark, Robert; Giuliani, John; Ouart, Nick; Davis, Jack; Jones, Brent; Ampleford, Dave; Hansen, Stephanie

2011-10-01

High fluence photon sources above 10 keV are a challenge for HED plasmas. This motivates Kr atomic modeling as its K-shell radiation starts at 13 keV. We have developed atomic structure and collisional-radiatve data for the full K-and L-shell and much of the M-shell using the the state-of-the-art Flexible Atomic Code. All relevant atomic collisional and radiative processes that affect ionization balance and are necessary to accurately model the pinch dynamics and the spectroscopic details of the emitted radiation are included in constructing the model. This non-LTE CRE model will be used to generate synthetic spectra for fixed densities and temperatures relevant for Kr gas-puff simulations in ZR. Work supported by DOE/NNSA. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Polarization effects produced as a result of inelastic scattering of protons near 20 MeV with excitation of the different 2/sup +/, 4/sup +/ and 6/sup +/ states in /sup 90,92/Zr and /sup 92,94/Mo nuclei

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

Plavko, A.V.; Kudryashov, V.I.; Lombar, R.M.

1979-11-20

On the basis of experiments on inelastic scattering of polarized protons with energy of about 20 MeV, we show that the analyzing power of A(theta) is sensitive to the excited states in /sup 90,92/Zr and /sup 92,94/Mo nuclei.

Structural instability of shell-like assemblies of a keplerate-type polyoxometalate induced by ionic strength.

PubMed

Veen, Sandra J; Kegel, Willem K

2009-11-19

We demonstrate a new structural instability of shell-like assemblies of polyoxometalates. Besides the colloidal instability, that is, the formation of aggregates that consist of many single layered POM-shells, these systems also display an instability on a structural scale within the shell-like assemblies. This instability occurs at significantly lower ionic strength than the colloidal stability limit and only becomes evident after a relatively long time. For the polyoxometalate, abbreviated as {Mo(72)Fe(30)}, it is shown that the structural stability limit of POM-shells lies between a NaCl concentration of 1.00 and 5.00 mM in aqueous solution.

Line Emission and X-ray Line Polarization of Multiply Ionized Mo Ions

NASA Astrophysics Data System (ADS)

Petkov, E. E.; Safronova, A. S.; Kantsyrev, V. L.; Shlyaptseva, V. V.; Stafford, A.; Safronova, U. I.; Shrestha, I. K.; Schultz, K. A.; Childers, R.; Cooper, M. C.; Beiersdorfer, P.; Hell, N.; Brown, G. V.

2016-10-01

We present a comprehensive experimental and theoretical study of the line emission from multiply ionized Mo ions produced by two different sets of experiments: at LLNL EBIT and the pulsed power generator Zebra at UNR. Mo line emission and polarization measurements were accomplished at EBIT for the first time. In particular, benchmarking experiments at the LLNL EBIT with Mo ions produced at electron beam energies from 2.75 keV up to 15 keV allowed us to break down these very complicated spectra into spectra with only few ionization stages and to select processes that influence them as well as to measure line polarization. The EBIT data were recorded using the EBIT Calorimeter Spectrometer and a crystal spectrometer with a Ge crystal. X-ray Mo spectra and pinhole images were collected from Z-pinch plasmas produced from various wire loads. Non-LTE modeling, high-precision relativistic atomic and polarization data were used to analyze L-shell Mo spectra. The influence of different plasma processes including electron beams on Mo line radiation is summarized. This work was supported by NNSA under DOE Grant DE-NA0002954. Experiments at the NTF/UNR were funded in part by DE-NA0002075. Work at LLNL was performed under the auspices of the U.S. DOE under contract DE-AC52-07NA27344.

76 FR 44255 - Amendment of Class E Airspace; Harrisonville, MO

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-25

... [Amended] Lawrence Smith Memorial Airport, MO (Lat. 38[deg]36'37'' N., long. 94[deg]20'37'' W.) That... Harrisonville, MO, to accommodate new Area Navigation (RNAV) Standard Instrument Approach Procedures at Lawrence... airspace at Lawrence Smith Memorial Airport (76 FR 21830) Docket No. FAA-2011-0251. Interested parties were...

Nuclear Data Sheets for A = 94

NASA Astrophysics Data System (ADS)

Abriola, D.; Sonzogni, A. A.

2006-09-01

Experimental data on ground- and excited-state properties for all known nuclei with mass number A = 94 have been compiled and evaluated. States populated in radioactive decay, as well as in nuclear reactions, have been considered. For these nuclei, level and decay schemes, as well as tables of nuclear properties, are given. The Hager-Seltzer internal conversion coefficients are listed for gamma rays of known multipolarity. This work supersedes the 1992 evaluation by J.K. Tuli (1992Tu02). Since 1992, many articles have been published which were incorporated in this evaluation. In summary, high-spin data using large arrays of Ge detectors have been obtained for 94Kr (2000Rz02), 94Sr (1995Ha20), 94Zr (2002Fo03,2005Pa48), 94Nb (2000Ma63), 94Mo (1998Kh04), 94Tc (2000Gh01), 94Ru (1994Ju03,1994Ro08), 94Rh (1994Ar33), and 94Pd (2003Ma24). A new isomer was observed in 94Y (1999Ge01). The low-spin levels in 98Mo were systematically studied using a variety of experimental techniques (2003Fr02). Considerable effort was spent investigating the decay of 94Ag and the levels of 94Pd (2006Mu03,2005Mu15,2004BaZY,2004Pl01,2002La18), in particular, the (21+) level in 94Ag is the first level observed to undergo both single and double proton radioactivity.

Determination of the direct double- β -decay Q value of Zr 96 and atomic masses of Zr 90 - 92 , 94 , 96 and Mo 92 , 94 - 98 , 100

DOE PAGES

Gulyuz, K.; Ariche, J.; Bollen, G.; ...

2015-05-06

Experimental searches for neutrinoless double-β decay offer one of the best opportunities to look for physics beyond the standard model. Detecting this decay would confirm the Majorana nature of the neutrino, and a measurement of its half-life can be used to determine the absolute neutrino mass scale. Important to both tasks is an accurate knowledge of the Q value of the double-β decay. The LEBIT Penning trap mass spectrometer was used for the first direct experimental determination of the ⁹⁶Zr double-β decay Q value: Q ββ=3355.85(15) keV. This value is nearly 7 keV larger than the 2012 Atomic Mass Evaluationmore » [M. Wang et al., Chin. Phys. C 36, 1603 (2012)] value and one order of magnitude more precise. The 3-σ shift is primarily due to a more accurate measurement of the ⁹⁶Zr atomic mass: m(⁹⁶Zr)=95.90827735(17) u. Using the new Q value, the 2νββ-decay matrix element, |M 2ν|, is calculated. Improved determinations of the atomic masses of all other zirconium ( 90-92,94,96Zr) and molybdenum ( 92,94-98,100Mo) isotopes using both ¹²C₈ and ⁸⁷Rb as references are also reported.« less

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

Murph, S.

This study describes a simple two-step approach to coat gold nanorods with a silica/titania shell. Gold nanorods with an aspect ratio of 2.5 (L = 48 {+-} 2 and d = 19 {+-} 1) are synthesized by a silver-seed mediated growth approach according to our previously reported procedure (Hunyadi Murph ACS Symposium Series, Volume 1064, Chapter 8, 2011, 127-163 and reference herein). Gold nanorods are grown on pre-formed gold nano-seeds in the presence of surfactant, cetyltrimethylammonium bromide (CTAB), and a small amount of silver ions. A bifunctional linker molecule which has a thiol group at one end and a silanemore » group at the other is used to derivatize gold nanorods. The silane group is subsequently reacted with both sodium silicate and titanium isopropoxide to a silica/titania shell around the gold nanorods. By fine tuning the reaction conditions, the silica/titania shell thickness can be controlled from {approx}5 to {approx}40nm. The resulting nanomaterials are stable, amenable to scale up and can be isolated without core aggregation or decomposition. These new materials have been characterized by scanning electron microscopy, energy dispersive X-ray analysis, UV-Vis spectroscopy and dynamic light scattering analysis. Photocatalytic activity of Au-silica/titania nanomaterials under visible and UV illumination is measured via degradation of a model dye, methyl orange (MO) under visible and UV illumination. The results indicate a 3 fold improvement in the photocatalytic decomposition rate of MO under visible illumination vs. UV illumination.« less

Detection and Differentiation of Frontotemporal Dementia and Related Disorders From Alzheimer Disease Using the Montreal Cognitive Assessment.

PubMed

Coleman, Kristy K L; Coleman, Brenda L; MacKinley, Julia D; Pasternak, Stephen H; Finger, Elizabeth C

2016-01-01

The Montreal Cognitive Assessment (MoCA) is a cognitive screening tool used by practitioners worldwide. The efficacy of the MoCA for screening frontotemporal dementia (FTD) and related disorders is unknown. The objectives were: (1) to determine whether the MoCA detects cognitive impairment (CI) in FTD subjects; (2) to determine whether Alzheimer disease (AD) and FTD subtypes and related disorders can be parsed using the MoCA; and (3) describe longitudinal MoCA performance by subtype. We extracted demographic and testing data from a database of patients referred to a cognitive neurology clinic who met criteria for probable AD or FTD (N=192). Logistic regression was used to determine whether dementia subtypes were associated with overall scores, subscores, or combinations of subscores on the MoCA. Initial MoCA results demonstrated CI in the majority of FTD subjects (87%). FTD subjects (N=94) performed better than AD subjects (N=98) on the MoCA (mean scores: 18.1 vs. 16.3; P=0.02). Subscores parsed many, but not all subtypes. FTD subjects had a larger decline on the MoCA within 13 to 36 months than AD subjects (P=0.02). The results indicate that the MoCA is a useful tool to identify and track progression of CI in FTD. Further, the data informs future research on scoring models for the MoCA to enhance cognitive screening and detection of FTD patients.

Largely enhanced photocatalytic activity of Au/XS2/Au (X = Re, Mo) antenna-reactor hybrids: charge and energy transfer.

PubMed

Chen, Kai; Ding, Si-Jing; Luo, Zhi-Jun; Pan, Gui-Ming; Wang, Jia-Hong; Liu, Jia; Zhou, Li; Wang, Qu-Quan

2018-02-22

An antenna-reactor hybrid coupling plasmonic antenna with catalytic nanoparticles is a new strategy to optimize photocatalytic activity. Herein, we have rationally proposed a Au/XS 2 /Au (X = Re, Mo) antenna reactor, which has a large Au core as the antenna and small satellite Au nanoparticles as the reactor separated by an ultrathin two-dimensional transition-metal dichalcogenide XS 2 shell (∼2.6 nm). Due to efficient charge transfer across the XS 2 shell as well as energy transfer via coupling of the Au antenna and Au reactor, the photocatalytic activity has been largely enhanced: Au/ReS 2 /Au exhibits a 3.59-fold enhancement, whereas Au/MoS 2 /Au exhibits a 2.66-fold enhancement as compared to that of the sum of the three individual components. The different enhancement in the Au/ReS 2 /Au and Au/MoS 2 /Au antenna-reactor hybrid is related to the competition and cooperation of charge and energy transfer. These results indicate the great potential of the Au/XS 2 /Au antenna-reactor hybrid for the development of highly efficient plasmonic photocatalysts.

Efficient hydrogen evolution in transition metal dichalcogenides via a simple one-step hydrazine reaction

PubMed Central

Cummins, Dustin R.; Martinez, Ulises; Sherehiy, Andriy; Kappera, Rajesh; Martinez-Garcia, Alejandro; Schulze, Roland K.; Jasinski, Jacek; Zhang, Jing; Gupta, Ram K.; Lou, Jun; Chhowalla, Manish; Sumanasekera, Gamini; Mohite, Aditya D.; Sunkara, Mahendra K.; Gupta, Gautam

2016-01-01

Hydrogen evolution reaction is catalysed efficiently with precious metals, such as platinum; however, transition metal dichalcogenides have recently emerged as a promising class of materials for electrocatalysis, but these materials still have low activity and durability when compared with precious metals. Here we report a simple one-step scalable approach, where MoOx/MoS2 core-shell nanowires and molybdenum disulfide sheets are exposed to dilute aqueous hydrazine at room temperature, which results in marked improvement in electrocatalytic performance. The nanowires exhibit ∼100 mV improvement in overpotential following exposure to dilute hydrazine, while also showing a 10-fold increase in current density and a significant change in Tafel slope. In situ electrical, gate-dependent measurements and spectroscopic investigations reveal that hydrazine acts as an electron dopant in molybdenum disulfide, increasing its conductivity, while also reducing the MoOx core in the core-shell nanowires, which leads to improved electrocatalytic performance. PMID:27282871

Efficient hydrogen evolution in transition metal dichalcogenides via a simple one-step hydrazine reaction.

PubMed

Cummins, Dustin R; Martinez, Ulises; Sherehiy, Andriy; Kappera, Rajesh; Martinez-Garcia, Alejandro; Schulze, Roland K; Jasinski, Jacek; Zhang, Jing; Gupta, Ram K; Lou, Jun; Chhowalla, Manish; Sumanasekera, Gamini; Mohite, Aditya D; Sunkara, Mahendra K; Gupta, Gautam

2016-06-10

Hydrogen evolution reaction is catalysed efficiently with precious metals, such as platinum; however, transition metal dichalcogenides have recently emerged as a promising class of materials for electrocatalysis, but these materials still have low activity and durability when compared with precious metals. Here we report a simple one-step scalable approach, where MoOx/MoS2 core-shell nanowires and molybdenum disulfide sheets are exposed to dilute aqueous hydrazine at room temperature, which results in marked improvement in electrocatalytic performance. The nanowires exhibit ∼100 mV improvement in overpotential following exposure to dilute hydrazine, while also showing a 10-fold increase in current density and a significant change in Tafel slope. In situ electrical, gate-dependent measurements and spectroscopic investigations reveal that hydrazine acts as an electron dopant in molybdenum disulfide, increasing its conductivity, while also reducing the MoOx core in the core-shell nanowires, which leads to improved electrocatalytic performance.

Efficient hydrogen evolution in transition metal dichalcogenides via a simple one-step hydrazine reaction

DOE PAGES

Cummins, Dustin R.; Martinez, Ulises; Sherehiy, Andriy; ...

2016-06-10

In this study, hydrogen evolution reaction is catalyzed efficiently with precious metals, such as platinum; however, transition metal dichalcogenides have recently emerged as a promising class of materials for electrocatalysis, but these materials still have low activity and durability when compared with precious metals. Here we report a simple one-step scalable approach, where MoO x/MoS 2 core-shell nanowires and molybdenum disulfide sheets are exposed to dilute aqueous hydrazine at room temperature, which results in marked improvement in electrocatalytic performance. The nanowires exhibit ~100 mV improvement in over potential following exposure to dilute hydrazine, while also showing a 10-fold increase inmore » current density and a significant change in Tafel slope. In situ electrical, gate-dependent measurements and spectroscopic investigations reveal that hydrazine acts as an electron dopant in molybdenum disulfide, increasing its conductivity, while also reducing the MoO x core in the core-shell nanowires, which leads to improved electrocatalytic performance.« less

On the Highest Oxidation States of Metal Elements in MO4 Molecules (M = Fe, Ru, Os, Hs, Sm, and Pu).

PubMed

Huang, Wei; Xu, Wen-Hua; Schwarz, W H E; Li, Jun

2016-05-02

Metal tetraoxygen molecules (MO4, M = Fe, Ru, Os, Hs, Sm, Pu) of all metal atoms M with eight valence electrons are theoretically studied using density functional and correlated wave function approaches. The heavier d-block elements Ru, Os, Hs are confirmed to form stable tetraoxides of Td symmetry in (1)A1 electronic states with empty metal d(0) valence shell and closed-shell O(2-) ligands, while the 3d-, 4f-, and 5f-elements Fe, Sm, and Pu prefer partial occupation of their valence shells and peroxide or superoxide ligands at lower symmetry structures with various spin couplings. The different geometric and electronic structures and chemical bonding types of the six iso-stoichiometric species are explained in terms of atomic orbital energies and orbital radii. The variations found here contribute to our general understanding of the periodic trends of oxidation states across the periodic table.

Modes of inheritance of two apomixis components, diplospory and parthenogenesis, in Chinese chive (Allium ramosum) revealed by analysis of the segregating population generated by back-crossing between amphimictic and apomictic diploids

PubMed Central

Yamashita, Ken-ichiro; Nakazawa, Yoshiko; Namai, Kiyoshi; Amagai, Masayuki; Tsukazaki, Hikaru; Wako, Tadayuki; Kojima, Akio

2012-01-01

To investigate the mode of inheritance of apomixis in Chinese chive, the degrees of diplospory and parthenogenesis were evaluated in F1 and BC1 progenies derived from crosses between amphimictic and apomictic diploids (2n = 16, 2x). The F1 population was generated by crossing three amphimictic diploids 94Mo13, 94Mo49 and 94Mo50 with an apomictic diploid KaD2 and comprised 110 diploids and 773 triploids. All the diploid F1 plants examined were completely or highly eusporous and completely syngamic. All the triploid F1 plants examined were highly diplosporous and highly parthenogenetic. KaD2 could not transmit its high level of apomixis via monoploid pollen grains. The BC1 population, generated by crossing 94Mo49 with apomictic triploids found in the F1 offspring, exhibited heteroploidy; it comprised haploid, diploid, triploid, tetraploid and various aneuploid individuals. In this generation, clear segregation was observed between diplospory and parthenogenesis. Analysis of the BC1 population suggests that diplospory and parthenogenesis are each controlled by single dominant genes, D and P, respectively. However, all the BC1 plants characterized as parthenogenetic were diplosporous. The absence of phenotypically eusporous parthenogenetic plants can be explained by assuming that the presence of diplospory gene is a prerequisite for the parthenogenesis gene expression in Chinese chive. PMID:23136527

Nucleosynthesis of Mo and Ru isotopes in neutrino-driven winds

NASA Astrophysics Data System (ADS)

Bliss, Julia; Arcones, Almudena

2018-01-01

The solar system origin of the p-isotopes 92,94Mo and 96,98Ru is a long-lasting mystery. Several astrophysical scenarios failed to explain their formation. Moreover, SiC X grains show a different abundance ratio of 95,97Mo than in the solar system. We have investigated if neutrino-driven winds can offer a solution to those problems.

High-resolution elemental records of Glycymeris glycymeris (Bivalvia) shells from the Iberian upwelling system: Ontogeny and environmental control

NASA Astrophysics Data System (ADS)

Freitas, Pedro; Richardson, Christopher; Chenery, Simon; Butler, Paul; Reynolds, David; Gaspar, Miguel; Scourse, James

2015-04-01

The great potential of bivalve shells as a high-resolution geochemical proxy archive of environmental conditions at the time of growth has been known for several decades. The elemental composition of bivalve shells has been studied with the purpose of reconstructing environmental conditions: e.g. seawater temperature (Sr and Mg), primary productivity (Li, Mn, Mo and Ba), redox conditions (Mn and Mo), terrigenous inputs (Li) and pollution (Cu, Zn, Cd and Pb). However, the interpretation of such records remains extremely challenging and complex, with processes affecting element incorporation in the shell (e.g. crystal fabrics, organic matrix, shell formation mechanisms and physiological processes) and the influence of more than one environmental parameter affecting elemental composition of bivalve shells. Nevertheless, bivalve shells remain an underused source of information on environmental conditions, with the potential to record high-resolution (sub-weekly to annually), multi-centennial time series of geochemical proxy data. The relatively long-lived bivalve (>100 years) Glycymeris glycymeris occurs in coastal shelf seas of Europe and North West Africa and is a valid annually resolved sclerochronological archive for palaeonvironmental reconstructions. The temporal framework provided by absolute annually dated shell material makes Glycymeris glycymeris a valuable, albeit unexplored, resource for investigating sub-annually resolved geochemical proxies. We present a first evaluation on the potential of Ba, P and U, the latter two elements rarely studied in bivalves, in Glycymeris glycymeris shells to record variations in the environmental conditions, respectively primary productivity, dissolved inorganic phosphorus and carbonate ion concentration/pH. High-resolution (31 to 77 samples per year) profiles of elemental/Ca ratios (E/Ca) over four years of growth (2001 to 2004) were obtained by LA-ICP-MS on two shells (13 and 16 years old) live-collected in 2010 at 30 m water depth on the Iberia upwelling system. In both shells, clear E/Ca annual cycles with significant higher-frequency variability (weekly to sub-monthly) were observed over the four years of growth analysed. However, E/Ca ratios and the amplitude of the annual E/Ca cycles were lower in the older shell and showed decreasing trends with age (ontogenetic effects). E/Ca ratios were age-detrended using statistical techniques derived from dendrochronology, resulting in similar and coherent profiles in both shells. It seems unlikely that enough variability in E/Ca ratios will be recorded in the shell after 15 to 20 years of age to allow the retrieval of an environmental signal by age-detrending E/Ca ratios. Detrended P/Ca, Ba/Ca and U/Ca in Glycymeris glycymeris shells showed coherent variations with coeval modelled and instrumental oceanographic series from the Iberia upwelling system that suggest a robust potential as an archive of environmental conditions in the first 15 to 20 years of growth. Nevertheless a robust calibration is required to distinguish between the influences of multiple environmental parameters. This study was financed and conducted in the frame of the Portuguese FCT GLYCY Project (contract PTDC/AAC-CLI/118003/2010).

Effect of Post-spray Shot Peening Treatment on the Corrosion Behavior of NiCr-Mo Coating by Plasma Spraying of the Shell-Core-Structured Powders

NASA Astrophysics Data System (ADS)

Tian, Jia-Jia; Wei, Ying-Kang; Li, Cheng-Xin; Yang, Guan-Jun; Li, Chang-Jiu

2018-01-01

Corrosion of metal plays a detrimental role in service lifetime of parts or systems. Therefore, coating a protective film which is fully dense and defects free on the base metal is an effective approach to protect the base metal from corrosion. In this study, a dense NiCr-20Mo coating with excellent lamellar interface bonding was deposited by plasma spraying of the novel shell-core-structured Mo-clad-NiCr powders, and then post-spray shot peening treatment by cold spraying of steel shots was applied to the plasma-sprayed NiCr-20Mo coating to obtain a fully dense coating through eliminating possibly existed pores and un-bonded interfaces within the NiCr-20Mo coating. Corrosion behaviors of the NiCr-20Mo coatings before and after shot peening were tested to investigate the effect of the post-spray shot peening on the corrosion behavior of the NiCr-20Mo coating. Results showed that a much dense and uniform plasma-sprayed NiCr-20Mo coating with perfect lamellar bonding at most of interfaces was deposited. However, the electrochemical tests revealed the existence of through-thickness pores in the as-plasma-sprayed NiCr-20Mo coating. Through the post-spray shot peening treatment, a completely dense top layer in the coating was formed, and with the increase in the shot peening intensity from one pass to three passes, the dense top layer became thicker from 100 μm to reach 300 μm of the whole coating thickness. Thus, a fully dense bulk-like coating was obtained. Corrosion test results showed that the dense coating layer resulting from densification of shot peening can act as an effective barrier coating to prevent the penetration of the corrosive medium and consequently protect the substrate from corrosion effectively. Therefore, a fully dense bulk-like NiCr-20Mo coating with excellent corrosion resistance can be achieved through the plasma spraying of Mo-clad-NiCr powders followed by appropriate post-spray shot peening treatment.

Determination of the direct double-β -decay Q value of 96Zr and atomic masses of Zr 90 -92 ,94 ,96 and Mo 92 ,94 -98 ,100

NASA Astrophysics Data System (ADS)

Gulyuz, K.; Ariche, J.; Bollen, G.; Bustabad, S.; Eibach, M.; Izzo, C.; Novario, S. J.; Redshaw, M.; Ringle, R.; Sandler, R.; Schwarz, S.; Valverde, A. A.

2015-05-01

Experimental searches for neutrinoless double-β decay offer one of the best opportunities to look for physics beyond the standard model. Detecting this decay would confirm the Majorana nature of the neutrino, and a measurement of its half-life can be used to determine the absolute neutrino mass scale. Important to both tasks is an accurate knowledge of the Q value of the double-β decay. The LEBIT Penning trap mass spectrometer was used for the first direct experimental determination of the 96Zr double-β decay Q value: Qβ β=3355.85 (15 ) keV. This value is nearly 7 keV larger than the 2012 Atomic Mass Evaluation [M. Wang et al., Chin. Phys. C 36, 1603 (2012), 10.1088/1674-1137/36/12/003] value and one order of magnitude more precise. The 3-σ shift is primarily due to a more accurate measurement of the 96Zr atomic mass: m (96Zr ) =95.908 277 35 (17 ) u. Using the new Q value, the 2 ν β β -decay matrix element, | M2 ν| , is calculated. Improved determinations of the atomic masses of all other zirconium (Zr 90 -92 ,94 ,96 ) and molybdenum (92 ,94 -98 ,100Mo ) isotopes using both 12C8 and 87Rb as references are also reported.

Coulomb Excitation of n-rich nuclei along the N = 50 shell closure

NASA Astrophysics Data System (ADS)

Padilla-Rodal, E.; Galindo-Uribarri, A.; Batchelder, J. C.; Beene, J. R.; Bingham, C.; Brown, B. A.; Lagergren, K. B.; Mueller, P. E.; Radford, D. C.; Stracener, D. W.; Urrego-Blanco, J. P.; Varner, R. L.; Yu, C.-H.

2008-04-01

Recently, we have been investigating characteristics of nuclear states around the neutron-rich mass A=80 region [1]. Using the Radioactive Ion Beams (RIBs) produced at HRIBF, we have successfully measured the B(E2) values for ^78,80,82Ge , using Coulomb excitation in inverse kinematics. For the germanium isotopes, these data allow a study of the systematic trend between the subshell N= 40 and the N=50 shell. Using the same technique, we have measured the B(E2) value of various nuclei along the N=50 shell including the radioactive nucleus ^84Se. This value together with our previously measured ^82Ge, and the recent result on ^80Zn from ISOLDE [2] are providing basic experimental information needed for a better understanding of the neutron-rich nuclei around A˜80. We report the new results and compare with shell model calculations. [1] E. Padilla-Rodal et al., Phys. Rev. Lett. 94 (2005) 122501. [2] J. Van de Walle et al., Phys. Rev. Lett. 99 (2007) 142501.

Activating Aluminum Reactivity with Fluoropolymer Coatings for Improved Energetic Composite Combustion.

PubMed

McCollum, Jena; Pantoya, Michelle L; Iacono, Scott T

2015-08-26

Aluminum (Al) particles are passivated by an aluminum oxide (Al2O3) shell. Energetic blends of nanometer-sized Al particles with liquid perfluorocarbon-based oxidizers such as perfluoropolyethers (PFPE) excite surface exothermic reaction between fluorine and the Al2O3 shell. The surface reaction promotes Al particle reactivity. Many Al-fueled composites use solid oxidizers that induce no Al2O3 surface exothermicity, such as molybdenum trioxide (MoO3) or copper oxide (CuO). This study investigates a perfluorinated polymer additive, PFPE, incorporated to activate Al reactivity in Al-CuO and Al-MoO3. Flame speeds, differential scanning calorimetry (DSC), and quadrupole mass spectrometry (QMS) were performed for varying percentages of PFPE blended with Al/MoO3 or Al/CuO to examine reaction kinetics and combustion performance. X-ray photoelectron spectroscopy (XPS) was performed to identify product species. Results show that the performance of the thermite-PFPE blends is highly dependent on the bond dissociation energy of the metal oxide. Fluorine-Al-based surface reaction with MoO3 produces an increase in reactivity, whereas the blends with CuO show a decline when the PFPE concentration is increased. These results provide new evidence that optimizing Al combustion can be achieved through activating exothermic Al surface reactions.

Nuclear Data Sheets for A = 94

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

Abriola, D.; Sonzogni, A.A.

Experimental data on ground- and excited-state properties for all known nuclei with mass number A = 94 have been compiled and evaluated. States populated in radioactive decay, as well as in nuclear reactions, have been considered. For these nuclei, level and decay schemes, as well as tables of nuclear properties, are given. The Hager-Seltzer internal conversion coefficients are listed for gamma rays of known multipolarity. This work supersedes the 1992 evaluation by J.K. Tuli (1992Tu02). Since 1992, many articles have been published which were incorporated in this evaluation. In summary, high-spin data using large arrays of Ge detectors have beenmore » obtained for {sup 94}Kr (2000Rz02), {sup 94}Sr (1995Ha20), {sup 94}Zr (2002Fo03,2005Pa48), {sup 94}Nb (2000Ma63), {sup 94}Mo (1998Kh04), {sup 94}Tc (2000Gh01), {sup 94}Ru (1994Ju03,1994Ro08), {sup 94}Rh (1994Ar33), and {sup 94}Pd (2003Ma24). A new isomer was observed in {sup 91}999Ge01). The low-spin levels in {sup 98}Mo were systematically studied using a variety of experimental techniques (2003Fr02). Considerable effort was spent investigating the decay of {sup 94}Ag and the levels of {sup 94}Pd (2006Mu03,2005Mu15,2004BaZY,2004Pl01,2002La18), in particular, the (21+) level in {sup 94}Ag is the first level observed to undergo both single and double proton radioactivity.« less

[The design of Co-Cr-Mo alloy combining the framework with porcelain fused to metal restorations and determination of the mechanical properties].

PubMed

Chao, Yong-lie; Lui, Chang-hong; Li, Ning; Yang, Xiao-yu

2005-02-01

To investigate a kind of Co-Cr-Mo alloys used for both porcelain fused to metal (PFM) restorations and casting framework of removable partial dentures. The Co-Cr-Mo alloy underwent the design for elementary compositions of the alloys and the production from the raw materials by means of a vacuum melt furnace. The strength, hardness, plasticity and casting ability of the alloy were examined with metal tensile test. Vickers hardness test and grid casting were examined respectively. The microstructure of the Co-Cr-Mo alloy was also inspected by scanning electron microscope and X-ray diffraction analysis. The elementary composition of DA9-4 alloy mainly consisted of Co 54%-67%, Cr 21%-26%, Mo 5%-8%, W 5%-8%, Si 1%-3%, Mn 0.1%-0.25% and trace elements. The yield strength of the alloy was 584 MPa, while the tensile strength was 736 MPa. The coefficient of expansion was 15.0%, the Vickers hardness reached 322, and the casting ratio exibited 100%. The DA9-4 Co-Cr-Mo alloy used for PFM and framework shown in this paper can meet the clinical demands and have reached the objects of the experiment plan.

Tuning structural motifs and alloying of bulk immiscible Mo-Cu bimetallic nanoparticles by gas-phase synthesis

NASA Astrophysics Data System (ADS)

Krishnan, Gopi; Verheijen, Marcel A.; Ten Brink, Gert H.; Palasantzas, George; Kooi, Bart J.

2013-05-01

Nowadays bimetallic nanoparticles (NPs) have emerged as key materials for important modern applications in nanoplasmonics, catalysis, biodiagnostics, and nanomagnetics. Consequently the control of bimetallic structural motifs with specific shapes provides increasing functionality and selectivity for related applications. However, producing bimetallic NPs with well controlled structural motifs still remains a formidable challenge. Hence, we present here a general methodology for gas phase synthesis of bimetallic NPs with distinctively different structural motifs ranging at a single particle level from a fully mixed alloy to core-shell, to onion (multi-shell), and finally to a Janus/dumbbell, with the same overall particle composition. These concepts are illustrated for Mo-Cu NPs, where the precise control of the bimetallic NPs with various degrees of chemical ordering, including different shapes from spherical to cube, is achieved by tailoring the energy and thermal environment that the NPs experience during their production. The initial state of NP growth, either in the liquid or in the solid state phase, has important implications for the different structural motifs and shapes of synthesized NPs. Finally we demonstrate that we are able to tune the alloying regime, for the otherwise bulk immiscible Mo-Cu, by achieving an increase of the critical size, below which alloying occurs, closely up to an order of magnitude. It is discovered that the critical size of the NP alloy is not only affected by controlled tuning of the alloying temperature but also by the particle shape.Nowadays bimetallic nanoparticles (NPs) have emerged as key materials for important modern applications in nanoplasmonics, catalysis, biodiagnostics, and nanomagnetics. Consequently the control of bimetallic structural motifs with specific shapes provides increasing functionality and selectivity for related applications. However, producing bimetallic NPs with well controlled structural motifs still remains a formidable challenge. Hence, we present here a general methodology for gas phase synthesis of bimetallic NPs with distinctively different structural motifs ranging at a single particle level from a fully mixed alloy to core-shell, to onion (multi-shell), and finally to a Janus/dumbbell, with the same overall particle composition. These concepts are illustrated for Mo-Cu NPs, where the precise control of the bimetallic NPs with various degrees of chemical ordering, including different shapes from spherical to cube, is achieved by tailoring the energy and thermal environment that the NPs experience during their production. The initial state of NP growth, either in the liquid or in the solid state phase, has important implications for the different structural motifs and shapes of synthesized NPs. Finally we demonstrate that we are able to tune the alloying regime, for the otherwise bulk immiscible Mo-Cu, by achieving an increase of the critical size, below which alloying occurs, closely up to an order of magnitude. It is discovered that the critical size of the NP alloy is not only affected by controlled tuning of the alloying temperature but also by the particle shape. Electronic supplementary information (ESI) available: Experimental details including schematics of the gas phase synthesis set up, target arrangement, synthesis condition for various structures, and TEM images of alloy, core-shell and Mo-Cu-Mo onion nanoparticles. See DOI: 10.1039/c3nr00565h

Investigation of mass dependence effects for the accurate determination of molybdenum isotope amount ratios by MC-ICP-MS using synthetic isotope mixtures.

PubMed

Malinovsky, Dmitry; Dunn, Philip J H; Petrov, Panayot; Goenaga-Infante, Heidi

2015-01-01

Methodology for absolute Mo isotope amount ratio measurements by multicollector inductively coupled plasma-mass spectrometry (MC-ICP-MS) using calibration with synthetic isotope mixtures (SIMs) is presented. For the first time, synthetic isotope mixtures prepared from seven commercially available isotopically enriched molybdenum metal powders ((92)Mo, (94)Mo, (95)Mo, (96)Mo, (97)Mo, (98)Mo, and (100)Mo) are used to investigate whether instrumental mass discrimination of Mo isotopes in MC-ICP-MS is consistent with mass-dependent isotope distribution. The parent materials were dissolved and mixed as solutions to obtain mixtures with accurately known isotope amount ratios. The level of elemental impurities in the isotopically enriched molybdenum metal powders was quantified by ICP-MS by using both high-resolution and reaction cell instruments to completely resolve spectral interferences. The Mo isotope amount ratio values with expanded uncertainty (k = 2), determined by MC-ICP-MS for a high-purity Mo rod from Johnson Matthey, were as follows: (92)Mo/(95)Mo = 0.9235(9), (94)Mo/(95)Mo = 0.5785(8), (96)Mo/(95)Mo = 1.0503(9), (97)Mo/(95)Mo = 0.6033(6), (98)Mo/(95)Mo = 1.5291(20), and (100)Mo/(95)Mo = 0.6130(7). A full uncertainty budget for the measurements is presented which shows that the largest contribution to the uncertainty budget comes from correction for elemental impurities (∼51%), followed by the contribution from weighing operations (∼26 %). The atomic weight of molybdenum was calculated to be 95.947(2); the uncertainty in parentheses is expanded uncertainty with the coverage factor of 2. A particular advantage of the developed method is that calibration factors for all six Mo isotope amount ratios, involving the (95)Mo isotope, were experimentally determined. This allows avoiding any assumption on mass-dependent isotope fractions in MC-ICP-MS, inherent to the method of double spike previously used for Mo isotope amount ratio measurements. However, data obtained in this study show that instrumental mass discrimination in MC-ICP-MS is consistent with mass-dependent Mo isotope fractionation. This was demonstrated by a good agreement between experimentally obtained and theoretically expected values of the exponent of isotope fractionation, β, for each triad of Mo isotopes.

Facile synthesis of Sb2S3/MoS2 heterostructure as anode material for sodium-ion batteries.

PubMed

Zhang, Zhendong; Zhao, Jiachang; Xu, Meilan; Wang, Hongxia; Gong, Yanmei; Xu, Jingli

2018-05-18

A novel Sb2S3/MoS2 heterostructure in which Sb2S3 nanorods are coated with MoS2 nanosheets to form core-shell structure has been fabricated via a facile two-step hydrothermal process. The Sb2S3/MoS2 heterostructure utilized as anode of sodium-ion batteries (SIBs) shows higher capacity, superior rate capability and better cycling performance compared with individual Sb2S3 nanorods and MoS2 nanosheets. Specifically, the Sb2S3/MoS2 electrode shows an initial reversible capacity of 701 mAh g-1 at the current density of 100 mA g-1, which is remained 80.1% of the initial perforance after 100 cycles at the same current density. This outstanding electrochemical performance indicates Sb2S3/MoS2 heterostructure is a very promising anode material for high-performance SIBs. © 2018 IOP Publishing Ltd.

Numerical Strength Analysis of a Complex, Steel Shell Structure/ Numeryczna Analiza Wytrzymałosciowa Pewnej Złożonej, Stalowej Konstrukcji Powłokowej

NASA Astrophysics Data System (ADS)

Burczynski, Grzegorz; Marcinowski, Jakub

2014-09-01

The paper deals with the numerical modelling of a complex, steel shell structure. The part under analysis is the upper segment of a steel pylon, which consists of several cylindrical shells and one conical segment. Particular parts of the structure are welded together. Geometrical and loading data calculations were performed for the particular material for both an ideally elastic case and an elasto-plastic case. The conclusion that the structural member analysed required strengthening were drawn on the basis of these results. The structural modification was proposed and additional calculations for this modified structure were also performed. Introduced additional shell elements locked the mechanism of plastic flow. The proposed modification can be treated as a possible strengthening concept. The whole analysis was performed by means of the ABAQUS system but some stages of calculations were also verified by the COSMOS/M system. Przedmiotem pracy jest numeryczne modelowanie pewnej bardzo złożonej, stalowej konstrukcji powłokowej. Analizowana szczegółowo czesc jest górnym fragmentem stalowego pylonu, na który składa sie kilka odcinków powłok cylindrycznych oraz jeden segment stożkowy. Te poszczególne fragmenty konstrukcji były ze soba połaczone spawaniem. Dla znanych parametrów materiałowych, geometrycznych i obciażeniowych wykonano obliczenia w zakresie idealnie spreżystym oraz w zakresie spreżystoplastycznym. Na podstawie tych obliczen wyciagnieto wniosek o koniecznosci wzmocnienia tej czesci pylonu. Zaproponowano istotna modyfikacje istniejacej konstrukcji i wykonano dla niej ponownie obliczenia. Wprowadzone dodatkowe elementy powłokowe zablokowały mechanizm plastycznego płyniecia. Zaproponowana modyfikacje można potraktowac jako jedna z możliwych koncepcji wzmocnienia konstrukcji. Wszystkie analizy numeryczne zostały wykonane za pomoca systemu ABAQUS. Pewne wybrane fragmenty obliczen były weryfikowane także z pomoca systemu COSMOS/M.

Molybdenum drawdown during Cretaceous Oceanic Anoxic Event 2

NASA Astrophysics Data System (ADS)

Goldberg, Tatiana; Poulton, Simon W.; Wagner, Thomas; Kolonic, Sadat F.; Rehkämper, Mark

2016-04-01

During the Cretaceous greenhouse, episodes of widespread ocean deoxygenation were associated with globally occurring events of black shale deposition. Possibly the most pronounced of these oceanic anoxic events (OAE's) was the Cenomanian-Turonian OAE2 (∼94 Ma). However, although certain redox sensitive trace metals tend to be preferentially sequestered in sediments deposited under anoxic conditions, with Mo drawdown being specifically prone to euxinic settings, these elements are generally somewhat depleted in sediments deposited during OAE2. To understand the driving factors responsible for this depleted trace metal drawdown, we have studied a low latitude section from the proto-North Atlantic Ocean (Tarfaya S57), where existing biomarker and iron-sulphur data point to a dominantly euxinic water column, with periodic transitions to ferruginous (Fe-rich) water column conditions. We utilise a variety of redox proxies (Fe-speciation, redox sensitive trace metals and Mo isotopes), which, in combination, allows us to evaluate the detailed nature of ocean redox conditions and hence controls on trace metal drawdown. The results suggest that seawater δ98Mo values may have ranged between ∼0.6 and 1.1‰ during OAE2, likely connected to changes in the local Mo reservoir as a consequence of low and probably heterogeneous concentrations of Mo in the ocean. The very low Mo/TOC ratios at Tarfaya and elsewhere in the proto-North Atlantic may support a model in which deep-water circulation was partially restricted within and between the North Atlantic and other ocean basins. We propose that the combination of a low and possibly heterogeneous δ98Mo of seawater Mo, together with low Mo/TOC ratios, points to a large decrease in the global oceanic Mo reservoir during OAE2, reflecting a major global scale increase in Mo drawdown under persistent euxinic conditions.

Low-spin structure of 51,35,86Br and 50,36,86Kr nuclei: The role of the g7 /2 neutron orbital

NASA Astrophysics Data System (ADS)

Urban, W.; Sieja, K.; Materna, T.; Czerwiński, M.; Rząca-Urban, T.; Blanc, A.; Jentschel, M.; Mutti, P.; Köster, U.; Soldner, T.; de France, G.; Simpson, G. S.; Ur, C. A.; Bernards, C.; Fransen, C.; Jolie, J.; Regis, J.-M.; Thomas, T.; Warr, N.

2016-10-01

Low-spin excited levels in 51,35,86Br and 50,36,86Kr, populated following β- decay and the neutron-induced fission of 235U, were measured using the Lohengrin fission-fragment separator and the EXILL array of Ge detectors at the PF1B cold-neutron facility of the Institute Laue-Langevin Grenoble. Improved populations of excited levels in 86Br remove inconsistencies existing in the literature on this nucleus. Directional-linear-polarization correlations, analyzed using newly developed formulas, as well as precise angular correlations allowed the unique 1- and 2- spin and parity assignments to the ground state of 86Br and the 4016.3-keV level in 86Kr, respectively. Based on these results we propose that the Gamow-Teller β- decays of 86Se and 86Br involve the ν g7 /2→π g9 /2 transition in addition to the ν p3 /2→π p3 /2 transition proposed earlier. In 86Kr we have identified 11+, 23+, and 31+ levels, analogous to the mixed-symmetry states in 94Mo, which in 86Kr are from proton excitations, only. Large-scale, shell-model calculations with refined interactions reproduce well excitations in 86Br and 86Kr and support our interpretations.

Determination of Mo- and Ca-isotope ratios in Ca100MoO4 crystal for AMoRE-I experiment

NASA Astrophysics Data System (ADS)

Karki, S.; Aryal, P.; Kim, H. J.; Kim, Y. D.; Park, H. K.

2018-01-01

The first phase of the AMoRE (Advanced Mo-based Rare process Experiment) is to search for neutrinoless double-beta decay of 100Mo with calcium molybdate (Ca100MoO4) crystals enriched in 100Mo and depleted in 48Ca using a cryogenic technique at Yangyang underground laboratory in Korea. It is important to know 100Mo- and 48Ca-isotope ratios in Ca100MoO4 crystal to estimate half-life of 100Mo decays and to 2 νββ background from 48Ca. We employed the ICP-MS (Inductive Coupled Plasma Mass Spectrometer) to measure 100Mo- and 48Ca-isotope ratios in Ca100MoO4 crystal. The measured results for 100Mo- and 48Ca-isotope ratios in the crystal are (94 . 6 ± 2 . 8) % and (0 . 00211 ± 0 . 00006) %, respectively, where errors are included both statistical and systematic uncertainties.

Full hyperfine structure analysis of singly ionized molybdenum

NASA Astrophysics Data System (ADS)

Bouazza, Safa

2017-03-01

For a first time a parametric study of hyperfine structure of Mo II configuration levels is presented. The newly measured A and B hyperfine structure (hfs) constants values of Mo II 4d5, 4d45s and 4d35s2 configuration levels, for both 95 and 97 isotopes, using Fast-ion-beam laser-induced fluorescence spectroscopy [1] are gathered with other few data available in literature. A fitting procedure of an isolated set of these three lowest even-parity configuration levels has been performed by taking into account second-order of perturbation theory including the effects of closed shell-open shell excitations. Moreover the same study was done for Mo II odd-parity levels; for both parities two sets of fine structure parameters as well as the leading eigenvector percentages of levels and Landé-factor gJ, relevant for this paper are given. We present also predicted singlet, triplet and quintet positions of missing experimental levels up to 85000 cm-1. The single-electron hfs parameter values were extracted in their entirety for 97Mo II and for 95Mo II: for instance for 95Mo II, a4d 01 =-133.37 MHz and a5p 01 =-160.25 MHz for 4d45p; a4d 01 =-140.84 MHz, a5p 01 =-170.18 MHz and a5s 10 =-2898 MHz for 4d35s5p; a5s 10 =-2529 (2) MHz and a4d 01 =-135.17 (0.44) MHz for the 4d45s. These parameter values were analysed and compared with diverse ab-initio calculations. We closed this work with giving predicted values of magnetic dipole and electric quadrupole hfs constants of all known levels, whose splitting are not yet measured.

Pair correlations in low-lying T =0 states of odd-odd nuclei with six nucleons

NASA Astrophysics Data System (ADS)

Fu, G. J.; Zhao, Y. M.; Arima, A.

2018-02-01

In this paper, we study pair correlations in low-lying T =0 states for two typical cases of odd-odd N =Z nuclei. The first case is six nucleons in a single j =9 /2 shell, for which we study the S -broken-pair approximation, the isoscalar spin-1 pair condensation, and the isoscalar spin-aligned pair condensation, with schematic interactions. In the second case, we study pair approximations and correlation energies for 22Na, 34Cl, 46V, 62Ga, and 94Ag in multi-j shells with effective interactions. A few T =0 states are found to be well represented by isoscalar nucleon pairs. The isoscalar spin-aligned pairs play an important role for the yrast T =0 states with I ˜2 j and I ˜Imax in 22Na, 46V, and 94Ag. The overlap between the isoscalar J =1 pair wave function and the shell-model wave function is around 0.5 for the I =1 ,3 states of 34Cl and the I =1 state of 94Ag. The I =9 state of 62Ga is very well described by the isoscalar J =3 pair condensation. The broken-pair approximation (which is similar to the 2-quasiparticle excitation of the isovector pair condensation) is appropriate for quite few states, such as the I =1 -3 states of 34Cl and the I =5 state of 62Ga. The correlation energies are presented in this paper. It is noted that the picture based on nucleon-pair wave functions is not always in agreement with the picture based on correlation energies.

Achillea millefolium L. extract mediated green synthesis of waste peach kernel shell supported silver nanoparticles: Application of the nanoparticles for catalytic reduction of a variety of dyes in water.

PubMed

Khodadadi, Bahar; Bordbar, Maryam; Nasrollahzadeh, Mahmoud

2017-05-01

In this paper, silver nanoparticles (Ag NPs) are synthesized using Achillea millefolium L. extract as reducing and stabilizing agents and peach kernel shell as an environmentally benign support. FT-IR spectroscopy, UV-Vis spectroscopy, X-ray Diffraction (XRD), Field emission scanning electron microscopy (FESEM), Energy Dispersive X-ray Spectroscopy (EDS), Thermo gravimetric-differential thermal analysis (TG-DTA) and Transmission Electron Microscopy (TEM) were used to characterize peach kernel shell, Ag NPs, and Ag NPs/peach kernel shell. The catalytic activity of the Ag NPs/peach kernel shell was investigated for the reduction of 4-nitrophenol (4-NP), Methyl Orange (MO), and Methylene Blue (MB) at room temperature. Ag NPs/peach kernel shell was found to be a highly active catalyst. In addition, Ag NPs/peach kernel shell can be recovered and reused several times with no significant loss of its catalytic activity. Copyright © 2017 Elsevier Inc. All rights reserved.

Mechanism of molybdenum removal from the sea and its concentration in black shales: EXAFS evidence

USGS Publications Warehouse

Helz, G.R.; Miller, C.V.; Charnock, J.M.; Mosselmans, J.F.W.; Pattrick, R.A.D.; Garner, C.D.; Vaughan, D.J.

1996-01-01

Molybdenum K-edge EXAFS (extended X-ray absorption fine structure) spectra yield new structural information about the chemical environment of Mo in high-Mo black shales and sediments. Two spectral types are found. The less common one, associated with Mo ores developed in shale in China, is that of a MoS2 phase, possibly X-ray amorphous jordisite. The other, associated with Cretaceous deep sea sediments and with other black shales, is characterized by short Mo-O distances (1.69-1.71 A??), by Mo-S distances of 2.30-2.38 A??, and in some cases by second shell Mo and Fe interactions, which suggests that some Mo resides in transition metal-rich phases. EXAFS spectra of synthetic amorphous materials, prepared by scavenging Mo from HS solutions with Fe(II), FeOOH, and humic acid, suggest that the second spectral type arises from Mo present chiefly in two forms. One is a compact, Mo-Fe-S "cubane" type compound with Mo-S distances of ???2.36 A?? and Mo-Fe distances of ???2.66 A??, while the other is probably an organic form containing some Mo-O double bonds (???1.69 A??). Laboratory products, that were prepared by scavenging dissolved Mo from sulfidic solutions with humic acid, yield spectra quite similar to the second spectral type observed in shales and sediments, including unexpected indications of Mo-Fe interactions. Molybdenum L-edge spectra indicate that the mean oxidation state in the sediments and shales lies between IV and VI. This work demonstrates the merit of EXAFS for obtaining structural information on natural materials containing X-ray amorphous components which defeat conventional mineralogical characterization. The implications of these findings regarding Mo scavenging from sulfidic natural waters are considered. We introduce the concept of a geochemical switch, in which HS- transforms the marine behavior of Mo from that of a conservative element to that of a particle reactive element. The action point of the HS- switch is calculated to be, aHS- = 10-3.6 - 10-4.3. When aHS- approaches the action point, Mo becomes reactive to particles containing transition metals (e.g., Fe). We conjecture that thiols, including humic-bound thiol groups, also switch Mo behavior. In contrast to previous ideas, our model for Mo scavenging deemphasizes the role of reduction from Mo(VI) to Mo(V) as the initial step in scavenging; instead, we emphasize the ease with which Mo forms covalent bonds to transition metals and organic molecules via S bridges.

Utilization of oil palm biodiesel solid residue as renewable sources for preparation of granular activated carbon by microwave induced KOH activation.

PubMed

Foo, K Y; Hameed, B H

2013-02-01

In this work, preparation of granular activated carbon from oil palm biodiesel solid residue, oil palm shell (PSAC) by microwave assisted KOH activation has been attempted. The physical and chemical properties of PSAC were characterized using scanning electron microscopy, volumetric adsorption analyzer and elemental analysis. The adsorption behavior was examined by performing batch adsorption experiments using methylene blue as dye model compound. Equilibrium data were simulated using the Langmuir, Freundlich and Temkin isotherm models. Kinetic modeling was fitted to the pseudo-first-order, pseudo-second-order and Elovich kinetic models, while the adsorption mechanism was determined using the intraparticle diffusion and Boyd equations. The result was satisfactory fitted to the Langmuir isotherm model with a monolayer adsorption capacity of 343.94mg/g at 30°C. The findings support the potential of oil palm shell for preparation of high surface area activated carbon by microwave assisted KOH activation. Copyright © 2012 Elsevier Ltd. All rights reserved.

USSR and Eastern Europe Scientific Abstracts Engineering and Equipment No.29

DTIC Science & Technology

1977-02-08

Perlite (12CrlMoV and 12Cr2MoVSib), ferrite - martensite (lCrllW2MoV), and austentite (Crl8Nil2Ti) steels are discussed for use in the heat-transfer...620°C. Other austentite steels have been developed, including EI695R, EP184, EP17, 45Crl0Mnl4Al-2 (which has a 20-40% ferrite phase ), 0Crl3Mnl2Ni2NSi2...middle zone of 10 mm and at the corners -- up to 40 mm. The shell was reinforced with a grid having square meshes of low -carbon steel wire, 1 mm in diam

XAS study of TiO2-based nanomaterials

NASA Astrophysics Data System (ADS)

Schneider, K.; Zajac, D.; Sikora, M.; Kapusta, Cz.; Michalow-Mauke, K.; Graule, Th.; Rekas, M.

2015-07-01

X-Ray Absorption Spectroscopy studies of the W (0-1 at% W) and Mo-doped TiO2 (0-1 at% Mo) nanoparticle specimens at the K edges of titanium and molybdenum as well as at the L2 L3 edges of tungsten are presented. The materials were prepared with Flame Spray Synthesis process by oxidation of metal-organic precursors. The Ti:K edge spectra in the XANES range show pre-edge and post-edge features characteristic for anatase. A decrease of the amplitude of the EXAFS function with doping is observed and attributed to a softening of the crystal lattice. The Mo EXAFS functions show a considerable decrease of the second-neighbour-shell peak with increasing Mo content, which is attributed to an increased number of cation vacancies. For tungsten a less pronounced effect is observed. The Mo and W XANES spectra do not show noticeable changes with doping level, which indicates their unchanged oxidation states.

Synthesis of core-shell bioaffinity chitosan-TiO₂ composite and its environmental applications.

PubMed

Xiao, Gang; Su, Haijia; Tan, Tianwei

2015-01-01

Based on the coupling of molecular imprinting, chitosan biosorption, and nano TiO2 photocatalysis technologies, a novel core-shell organic-inorganic hybrid material of surface imprinted chitosan-TiO2 composite (SICT) was prepared with methyl orange as the template. SEM, EDS, AFM, pore size analysis, and FTIR characterization results illustrated that TiO2 nano powder was successfully coated on the surface of chitosan microparticles via intermolecular hydrogen bonds to form the core-shell organic-inorganic composites with rough and porous surface morphology. SICT showed enhanced photocatalytic selectivity for methyl orange (M.O.) compared with the non-imprinted chitosan-TiO2 composites because of the existing of more suitable sites generated by surface molecular imprinting. The removal of M.O. by SICT was mainly from the photocatalytic degradation rather than simple adsorption. SICT could be reused directly without further desorption and regeneration for 10 cycles with preserving 60% of its photocatalytic efficiency. The reusability of SICT would be beneficial for the simplification of the operating steps and the cost reduction which facilitated its practical applications in wastewater treatment concerning environmental organic pollutants. Copyright © 2014 Elsevier B.V. All rights reserved.

Hydration shell parameters of aqueous alcohols: THz excess absorption and packing density.

PubMed

Matvejev, V; Zizi, M; Stiens, J

2012-12-06

Solvation in water requires minimizing the perturbations in its hydrogen bonded network. Hence solutes distort water molecular motions in a surrounding domain, forming a molecule-specific hydration shell. The properties of those hydration shells impact the structure and function of the solubilized molecules, both at the single molecule and at higher order levels. The size of the hydration shell and the picoseconds time-scale water dynamics retardation are revealed by terahertz (THz) absorption coefficient measurements. Room-temperature absorption coefficient at f = 0.28 [THz] is measured as a function of alcohol concentration in aqueous methanol, ethanol, 1,2-propanol, and 1-butanol solutions. Highly diluted alcohol measurements and enhanced overall measurement accuracy are achieved with a THz absorption measurement technique of nL-volume liquids in a capillary tube. In the absorption analysis, bulk and interfacial molecular domains of water and alcohol are considered. THz ideal and excess absorption coefficients are defined in accordance with thermodynamics mixing formulations. The parameter extraction method is developed based on a THz excess absorption model and hydrated solute molecule packing density representation. First, the hydration shell size is deduced from the hydrated solute packing densities at two specific THz excess absorption nonlinearity points: at infinite alcohol dilution (IAD) and at the THz excess absorption extremum (EAE). Consequently, interfacial water and alcohol molecular domain absorptions are deduced from the THz excess absorption model. The hydration shell sizes obtained at the THz excess absorption extremum are in excellent agreement with other reports. The hydration shells of methanol, ethanol, 1- and 2-propanol consist of 13.97, 22.94, 22.99, and 31.10 water molecules, respectively. The hydration shell water absorption is on average 0.774 ± 0.028 times the bulk water absorption. The hydration shell parameters might shed light on hydration dynamics of biomolecules.

Understanding the role of Co3O4 on stability between active hierarchies and scaffolds: An insight into NiMoO4 composites for supercapacitors

NASA Astrophysics Data System (ADS)

Zhao, Yuanyuan; Zhang, Peng; Fu, Wenbin; Ma, Xiangwen; Zhou, Jinyuan; Zhang, Xiaojuan; Li, Jian; Xie, Erqing; Pan, Xiaojun

2017-09-01

It is often reported that pseudocapacitive electrodes' mechanical stability seriously limited their cycling performances in supercapacitors due to their quick fall off the electrode matrix during frequent fast charge/discharge process. In this work, we have demonstrated the mechanical enhancement in hierarchical NiMoO4 nanosheet arrays (NSAs) on free-standing substrates after introducing Co3O4 hierarchies. Under sonication vibration environment, the mechanical stability of Co3O4@NiMoO4 NSAs was enhanced by ∼70% compared to that of the pure NiMoO4 ones. Moreover, the Co3O4@NiMoO4 NSAs can display a high specific capacitance of 1476 F g-1 at the current density of 1 A g-1, and an excellent rate capability (keeping 81% at 20 A g-1). And after 2000 cycles, high capacitance retention of 96% was achieved for the Co3O4@NiMoO4 core/shell NSAs, while only 70% for the pure NiMoO4 ones.

MoS2-coated microspheres of self-sensitized carbon nitride for efficient photocatalytic hydrogen generation under visible light irradiation

NASA Astrophysics Data System (ADS)

Gu, Quan; Sun, Huaming; Xie, Zunyuan; Gao, Ziwei; Xue, Can

2017-02-01

We have successfully coated the self-sensitized carbon nitride (SSCN) microspheres with a layer of MoS2 through a facile one-pot hydrothermal method by using (NH4)2MoS4 as the precursor. The resulted MoS2-coated SSCN photocatalyst appears as a core-shell structure and exhibits enhanced visible-light activities for photocatalytic H2 generation as compared to the un-coated SSCN and the standard g-C3N4 reference with MoS2 coating. The photocatalytic test results suggest that the oligomeric s-triazine dyes on the SSCN surface can provide additional light-harvesting capability and photogenerated charge carriers, and the coated MoS2 layer can serve as active sites for proton reduction towards H2 evolution. This synergistic effect of surface triazine dyes and MoS2 coating greatly promotes the activity of carbon nitride microspheres for vishible-light-driven H2 generation. This work provides a new way of future development of low-cost noble-metal-free photocatalysts for efficient solar-driven hydrogen production.

Gap-Mode Surface-Plasmon-Enhanced Photoluminescence and Photoresponse of MoS2.

PubMed

Wu, Zhi-Qian; Yang, Jing-Liang; Manjunath, Nallappagar K; Zhang, Yue-Jiao; Feng, Si-Rui; Lu, Yang-Hua; Wu, Jiang-Hong; Zhao, Wei-Wei; Qiu, Cai-Yu; Li, Jian-Feng; Lin, Shi-Sheng

2018-05-22

2D materials hold great potential for designing novel electronic and optoelectronic devices. However, 2D material can only absorb limited incident light. As a representative 2D semiconductor, monolayer MoS 2 can only absorb up to 10% of the incident light in the visible, which is not sufficient to achieve a high optical-to-electrical conversion efficiency. To overcome this shortcoming, a "gap-mode" plasmon-enhanced monolayer MoS 2 fluorescent emitter and photodetector is designed by squeezing the light-field into Ag shell-isolated nanoparticles-Au film gap, where the confined electromagnetic field can interact with monolayer MoS 2 . With this gap-mode plasmon-enhanced configuration, a 110-fold enhancement of photoluminescence intensity is achieved, exceeding values reached by other plasmon-enhanced MoS 2 fluorescent emitters. In addition, a gap-mode plasmon-enhanced monolayer MoS 2 photodetector with an 880% enhancement in photocurrent and a responsivity of 287.5 A W -1 is demonstrated, exceeding previously reported plasmon-enhanced monolayer MoS 2 photodetectors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Constitution and thermodynamics of the Mo-Ru, Mo-Pd, Ru-Pd and Mo-Ru-Pd systems

NASA Astrophysics Data System (ADS)

Kleykamp, H.

1989-09-01

The constitution of the Mo-Ru, Mo-Pd and Ru-Pd systems was reinvestigated between 800 and 2000°C. The Mo-Ru system is of the eutectic type, a σ-phase Mo 5Ru 3 exists between 1915 and 1143°C. The Mo-Pd system is characterized by an hcp phase Mo 9Pd 11 and by two peritectic reactions, β- Mo( Pd) + L = Mo9Pd11andMo9Pd11 + L = α- Pd( Mo). Mo 9Pd 11 decomposes eutectoidally at 1370°C. The Ru-Pd system is simple peritectic. The continuous series of the hcp solid solutions between Mo 9Pd 11 and ɛ-Ru(Mo, Pd) in the ternary Mo-Ru-Pd system observed at 1700°C are suppressed below 1370°C near the Mo-Pd boundary system by the formation of a narrow α + β + ɛ three-phase field. Relative partial molar Gibbs energies of Mo, Mo and Ru in the respective binary systems and of Mo in the ternary system were measured by the EMF method with a Zr(Ca)O 2 electrolyte. xsΔ ḠMo∞ quantities were evaluated at 1200 K which give -43 kJ/mol Mo in Ru and -94 kJ/mol Mo in Pd at infinite dilution. Gibbs energies of formation of the Mo-Ru and Mo-Pd systems were calculated.

Review of Livermore-Led Neutron Capture Studies Using DANCE

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

Parker, W; Sheets, S; Agvaanluvsan, U

2007-05-11

We have made neutron capture cross-section measurements using the white neutron source at the Los Alamos Science Center, the DANCE detector array (Detector for Advanced Neutron Capture Experiments) and targets important for basic science and stockpile stewardship. In this paper, we review results from (n,{gamma}) reactions on {sup 94,95}Mo, {sup 152,154,157,160,nat}Gd, {sup 151,153}Eu and {sup 242m}Am for neutron energies from < 1eV up to {approx} 20 keV. We measured details of the {gamma}-ray cascade following neutron capture, for comparison with results of statistical model simulations. We determined the neutron energy dependent (n,{gamma}) cross section and gained information about statistical decaymore » properties, including the nuclear level density and the photon strength function. Because of the high granularity of the detector array, it is possible to look at gamma cascades with a specified number of transitions (a specific multiplicity). We simulated {gamma}-ray cascades using a combination of the DICEBOX/GEANT computer codes. In the case of the deformed nuclei, we found evidence of a scissors-mode resonance. For the Eu, we also determined the (n,{gamma}) cross sections. For the {sup 94,95}Mo, we focused on the spin and parity assignments of the resonances and the determination of the photon strength functions for the compound nuclei {sup 95,96}Mo. Future plans include measurements on actinide targets; our immediate interest is in {sup 242m}Am.« less

Reduced Net Erosion of High-Z PFC Materials in DIII-D Divertor

NASA Astrophysics Data System (ADS)

Rudakov, D. L.; Stangeby, P. C.; Elder, J. D.; Wampler, W. R.; Buchenauer, D. A.; Watkins, J. G.; Brooks, J. N.; Hassanein, A.; Sizyuk, T.; Briesemeister, A. R.; McLean, A. G.; Chrobak, C. P.; Guo, H. Y.; Leonard, A. W.; Wong, C. P. C.

2014-10-01

DiMES samples featuring 1 cm and 1 mm diameter W films deposited on a Si substrate were exposed in DIII-D near the attached outer strike point of LSN L-mode discharges. The measured net and gross erosion rates of W, determined from post-mortem ion beam analysis (IBA) of 1 cm and 1 mm samples, were 0.14 and 0.48 nm/s, respectively, giving net/gross erosion ratio of 0.29. REDEP/WBC modeling of this experiment yielded a very close ratio of 0.33. Projection of the modeling results to ITER shows very low net erosion of W. In another experiment Mo-coated samples were exposed with 13CH4 gas injected ~2 cm upstream of DiMES. Reduction of Mo erosion was evidenced in - situ by the suppression of MoI line radiation. Post-mortem IBA showed that the net erosion of Mo was below the measurement resolution of 0.5 nm, corresponding to a rate of <=0.07 nm/s. Compared to the previously measured erosion rates, this constitutes a reduction of more than 10X. Work supported in part the by US DOE under DE-FG02-07ER54917, DE-AC04-94AL85000, DE-AC05-00OR22725, DE-AC52-07NA27344 & DE-FC02-04ER54698.

EUV multilayer coatings for the Atmospheric Imaging Assembly instrument aboard the Solar Dynamics Observatory

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

Soufli, R; Windt, D L; Robinson, J C

2006-02-09

Multilayer coatings for the 7 EUV channels of the AIA have been developed and completed successfully on all AIA flight mirrors. Mo/Si coatings (131, 171, 193.5, 211 {angstrom}) were deposited at Lawrence Livermore National Laboratory (LLNL). Mg/SiC (304, 335 {angstrom}) and Mo/Y (94 {angstrom}) coatings were deposited at Columbia University. EUV reflectance of the 131/335 {angstrom}, 171 {angstrom}, 193.5/211 {angstrom} primary and secondary flight mirrors and the 94/304 {angstrom} secondary flight mirror was measured at beamline 6.3.2. of the Advanced Light Source (ALS) at LBNL. EUV reflectance of the 94/304 {angstrom} primary and secondary flight mirrors was measured at beamlinemore » X24C of the National Synchrotron Light Source (NSLS) at Brookhaven National Lab. Preliminary EUV reflectance measurements of the 94, 304 and 335 {angstrom} coatings were performed with a laser plasma source reflectometer located at Columbia University. Prior to multilayer coating, Atomic Force Microscopy (AFM) characterization and cleaning of all flight substrates was performed at LLNL.« less

Dynamic Force Measurements and Boundary-Layer Transition Mapping on a Spinning 9-Deg Cone with and without Mass Addition at Mach Numbers 5 and 8

DTIC Science & Technology

1978-08-01

91 40. Aerodynamic Coefficients for Sharp Cone at Angle of Attack 93 41. Posttest Photograph of Ablated Camphor Nose Tip, rn/rb = 0.042...94 AEDC-TR-78-40 Figure Page 42. Aerodynamic Coefficients on Spinning Model with Camphor Nose Tip with Imbedded Metal Shaving 95 43. 3...shell could be replaced with camphor (in the case of the larger spin model only, Fig. 5a), asymmetric aluminum (Fig. 5b), or carbon phenolic frustums

Single and multi-layered core-shell structures based on ZnO nanorods obtained by aerosol assisted chemical vapor deposition

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

Sáenz-Trevizo, A.; Amézaga-Madrid, P.; Pizá-Ruiz, P.

2015-07-15

Core–shell nanorod structures were prepared by a sequential synthesis using an aerosol assisted chemical vapor deposition technique. Several samples consisting of ZnO nanorods were initially grown over TiO{sub 2} film-coated borosilicate glass substrates, following the synthesis conditions reported elsewhere. Later on, a uniform layer consisting of individual Al, Ni, Ti or Fe oxides was grown onto ZnO nanorod samples forming the so-called single MO{sub x}/ZnO nanorod core–shell structures, where MO{sub x} was the metal oxide shell. Additionally, a three-layer core–shell sample was developed by growing Fe, Ti and Fe oxides alternately, onto the ZnO nanorods. The microstructure of the core–shellmore » materials was characterized by grazing incidence X-ray diffraction, scanning and transmission electron microscopy. Energy dispersive X-ray spectroscopy was employed to corroborate the formation of different metal oxides. X-ray diffraction outcomes for single core–shell structures showed solely the presence of ZnO as wurtzite and TiO{sub 2} as anatase. For the multi-layered shell sample, the existence of Fe{sub 2}O{sub 3} as hematite was also detected. Morphological observations suggested the existence of an outer material grown onto the nanorods and further microstructural analysis by HR-STEM confirmed the development of core–shell structures in all cases. These studies also showed that the individual Al, Fe, Ni and Ti oxide layers are amorphous; an observation that matched with X-ray diffraction analysis where no apparent extra oxides were detected. For the multi-layered sample, the development of a shell consisting of three different oxide layers onto the nanorods was found. Overall results showed that no alteration in the primary ZnO core was produced during the growth of the shells, indicating that the deposition technique used herein was and it is suitable for the synthesis of homogeneous and complex nanomaterials high in quality and purity. In addition, materials absorptance determined from the total transmittance and reflectance spectra revealed a broader absorption interval including visible light, indicating potential uses of these nanostructures on solar energy appliances. - Graphical abstract: Display Omitted - Highlights: • Uniform ZnO nanorods (core)–metal oxide (shell) were obtained sequentially by AACVD. • Shells were structured of homogeneous single or multi-layered non-mixed metal oxides. • ZnO nanorod core was preserved during the shell synthesis. • Optical absorptance revealed visible interval absorption for FeO{sub x} shell samples. • Materials can be suitable for photocatalytic or photovoltaic applications.« less

Spectroscopy of Al wire array stagnation on Z

NASA Astrophysics Data System (ADS)

Jones, B.; Jennings, C. A.; Hansen, S. B.; Bailey, J. E.; Rochau, G. A.; Coverdale, C. A.; Yu, E. P.; Ampleford, D. J.; Cuneo, M. E.; Maron, Y.; Fisher, V. I.; Bernshtam, V.; Starobinets, A.; Weingarten, L.; Pinhas, S.

2011-10-01

In this work, we present analysis of time-gated spectra of ~2 keV K-shell emissions from Al (5% Mg) wire arrays on Z to provide details of the plasma conditions and dynamics at the onset of stagnation. The plasma is modeled as concentric radial zones, and collisional-radiative modeling with self-consistent radiation transport is used to constrain the temperatures and densities in these regions. A hot ~2 keV plasma core bearing a few percent of the total mass forms at the foot of the x-ray pulse, with participating mass increasing toward peak x-ray power as material arrives on axis with ~50 cm/ μs implosion velocity. The atomic modeling accounts for K-shell line opacity and Doppler effects, and is compared to 3D MHD simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE National Nuclear Security Administration under contract DE-AC04-94AL85000.

Nondegenerate n-type doping phenomenon on molybdenum disulfide (MoS{sub 2}) by zinc oxide (ZnO)

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

Kang, Dong-Ho; Hong, Seong-Taek; Oh, Aely

Highlights: • We have demonstrated nondegenerate n-type doping phenomenon of MoS{sub 2} by ZnO. • ZnO doping improved the electrical parameters of MoS{sub 2} transistor (I{sub on}↑, μ{sub FE}↑, n↑). • The reduction of ZnO doping effect (ΔV{sub TH}: ∼75% ↓) was observed in air. • The highest photoresponsivity of ZnO-doped MoS{sub 2} photodetector was 3.18 × 10{sup 3} A/W. • The highest detectivity of ZnO-doped MoS{sub 2} photodetector was 5.94 × 10{sup 12} Jones. - Abstract: In this paper, we have demonstrated nondegenerate n-type doping phenomenon of MoS{sub 2} by ZnO. The ZnO doping effects were systematically investigated bymore » Raman spectroscopy and electrical/optical measurements (I{sub D}–V{sub G} with/without exposure to 520, 655, 785, and 850 nm laser sources). The ZnO doping improved the performance parameters of MoS{sub 2}-based electronics (I{sub on}↑, μ{sub FE}↑, n↑) owing to reduction of the effective barrier height between the source and the MoS{sub 2} channel. We also monitored the effects of ZnO doping during exposure to air; reduction in ΔV{sub TH} of about 75% was observed after 156 h. In addition, the optoelectronic performance of the MoS{sub 2} photodetector was enhanced due to the reduction of the recombination rate of photogenerated carriers caused by ZnO doping. In our results, the highest photoresponsivity (about 3.18 × 10{sup 3} A/W) and detectivity (5.94 × 10{sup 12} Jones) of the ZnO-doped photodetector were observed for 520 nm laser exposure.« less

Nonshivering thermogenesis and adaptation to fasting in king penguin chicks.

PubMed

Duchamp, C; Barre, H; Delage, D; Rouanet, J L; Cohen-Adad, F; Minaire, Y

1989-10-01

The ability to develop nonshivering thermogenesis (NST) and the effect of fasting on thermogenic response to cold were studied in winter-acclimatized king penguin chicks. Metabolic rate (MR) and integrated electrical muscle activity were measured at different ambient temperatures. In cold-acclimatized (5 degrees C) fed chicks, shivering threshold temperature (STT) was 9.4 degrees C lower than lower critical temperature (LCT), indicating that NST (0.7 W/kg) occurs at moderate cold, whereas in control chicks fed and reared at 25 degrees C for 3 wk, LCT and STT were similar. Chicks reared in the cold and fasting for 3 wk or 4-5 mo (natural winter fast) developed an NST of 0.8 and 2.4 W/kg, respectively, despite the fast. In fasting chicks, the intercept of the metabolic curve with the abscissa at zero MR was far below body temperature, contrasting with the classic model for heat loss. Their low LCT indicates the capacity of a large reduction in convective conductance characteristic of diving animals and allows energy sparing in moderate cold. Below LCT, conductance reincreases progressively, leading to a steeper than expected slope of the metabolic curve and allowing preservation of a threshold temperature in the shell. These results show for the first time in a wild young bird the development of NST after cold acclimatization. Further, at the temperature of cold acclimatization, an energy-sparing mechanism is shown in response to long-term fast adaptation.

Millisecond laser ablation of molybdenum target in reactive gas toward MoS2 fullerene-like nanoparticles with thermally stable photoresponse.

PubMed

Song, Shu-Tao; Cui, Lan; Yang, Jing; Du, Xi-Wen

2015-01-28

As a promising material for photoelectrical application, MoS2 has attracted extensive attention on its facile synthesis and unique properties. Herein, we explored a novel strategy of laser ablation to synthesize MoS2 fullerene-like nanoparticles (FL-NPs) with stable photoresponse under high temperature. Specifically, we employed a millisecond pulsed laser to ablate the molybdenum target in dimethyl trisulfide gas, and as a result, the molybdenum nanodroplets were ejected from the target and interacted with the highly reactive ambient gas to produce MoS2 FL-NPs. In contrast, the laser ablation in liquid could only produce core-shell nanoparticles. The crucial factors for controlling final nanostructures were found to be laser intensity, cooling rate, and gas reactivity. Finally, the MoS2 FL-NPs were assembled into a simple photoresponse device which exhibited excellent thermal stability, indicating their great potentialities for high-temperature photoelectrical applications.

Estimates of Heritability for Growth and Shell Color Traits and Their Genetic Correlations in the Black Shell Strain of Pacific Oyster Crassostrea gigas.

PubMed

Xu, Lan; Li, Qi; Yu, Hong; Kong, Lingfeng

2017-10-01

The Pacific oyster Crassostrea gigas has been introduced widely and massively and became an economically important aquaculture species on a global scale. We estimated heritabilities of growth and shell color traits and their genetic correlations in black shell strain of C. gigas. Analyses were performed on 22 full-sib families in a nested mating design including 410 individuals at harvest (24 months of age). The parentage assignment was inferred based on four panels of multiplex PCR markers including 10 microsatellite loci and 94.9% of the offspring were unambiguously assigned to single parent pairs. The Spearman correlation test (r = - 0.992, P < 0.001) demonstrated the high consistency of the shell pigmentation (SP) and L* and their same efficacy in shell color measurements. The narrow-sense heritability estimated under the animal model analysis was 0.18 ± 0.12 for shell height, 0.25 ± 0.16 for shell length, 0.10 ± 0.09 for shell width, 0.42 ± 0.20 for total weight, 0.32 ± 0.18 for shell weight, and 0.68 ± 0.16 for L*, 0.69 ± 0.16 for shell pigmentation, respectively. The considerable additive genetic variation in growth and shell color traits will make it feasible to produce genetic improvements for these traits in selective breeding program. High genetic and phenotypic correlations were found among growth traits and among shell color traits. To optimize a selection strategy for both fast growth and pure dark shell strain of C. gigas, it is proposed to take both total weight and black shell as joint objective traits in selective breeding program. Our study offers an important reference in the process of selective breeding in black shell color stain of C. gigas and will facilitate to develop favorable breeding strategies of genetic improvements for this economically important strain.

Strict Correlation of HOMO Topology and Magnetic Aromaticity Indices in d-Block Metalloaromatics.

PubMed

Mauksch, Michael; Tsogoeva, Svetlana B

2018-05-16

Magnetic aromaticity and antiaromaticity of closed shell metalloaromatics with 4d transition metals (Nb, Tc, Rh) is strictly correlated with orbital topology (Möbius or Hückel) of their π-HOMO, investigated computationally with DFT methods. A surprisingly simple rule emerged: the metallacycle is aromatic (antiaromatic) when the number of π MO's is even and the π-HOMO is of Möbius (Hückel) topology - and vice versa when the number of π MO's is odd. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rhenium doping induced structural transformation in mono-layered MoS2 with improved catalytic activity for hydrogen evolution reaction

NASA Astrophysics Data System (ADS)

Shi, Wenwu; Wang, Zhiguo; Qing Fu, Yong

2017-10-01

This paper reports a new design methodology to improve catalytic activities of catalysts based on 2D transition metal dichalcogenides through elemental doping which induces structural transformations. Effects of rhenium (Re) doping on structural stability/phase transformation and catalytic activity of mono-layered trigonal prismatic (2H) MoS2 were investigated using density functional theory as one example. Results show that 2H-Mo1-x Re x S2 transforms into 1T‧-Mo1-x Re x S2MoS2 as the value of x is larger than 0.4, and the transfer of the electron from Re to Mo is identified as the main reason for this structural transformation. The 1T‧-Mo1-x Re x S2 shows a good catalytic activity for the hydrogen evolution reaction when 0.75  ⩽  x  ⩽  0.94.

Late-Transition-Metal-Modified β-Mo 2C Catalysts for Enhanced Hydrogenation during Guaiacol Deoxygenation

DOE PAGES

Baddour, Frederick G.; Witte, Vanessa A.; Nash, Connor P.; ...

2017-10-26

Molybdenum carbide has been identified as a promising bifunctional catalyst in the deoxygenation of a variety of pyrolysis vapor model compounds. Although high deoxygenation activity has been demonstrated, complementary hydrogenation activity has been limited, especially for lignin-derived, aromatic model compounds. The ability to control the relative site densities of acidic and hydrogenation functionalities represents a catalyst design challenge for these materials with the goal to improve hydrogenation activity under ex situ catalytic fast pyrolysis (CFP) conditions. Here in this paper, we demonstrate that the addition of Pt and Ni to Mo 2C resulted in an increase in the H*-site densitymore » with only a minor decrease in the acid-site density. In contrast, the addition of Pd did not significantly alter the H* or acid site densities. High conversions (>94%) and high selectivities to 0-oxygen products (>80%) were observed in guaiacol deoxygenation under ex situ CFP conditions (350 °C and 0.44 MPa H 2) for all catalysts. Pt addition resulted in the greatest deoxygenation, and site-time yields to hydrogenated products over the Pt/Mo 2C catalyst were increased to 0.048 s -1 compared to 0.015-0.019 s -1 for all other catalysts. The Pt/Mo 2C catalyst demonstrated the highest hydrogenation performance, but modification with Ni also significantly enhanced hydrogenation performance, representing a promising lower-cost alternative.« less

Late-Transition-Metal-Modified β-Mo 2C Catalysts for Enhanced Hydrogenation during Guaiacol Deoxygenation

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

Baddour, Frederick G.; Witte, Vanessa A.; Nash, Connor P.

Molybdenum carbide has been identified as a promising bifunctional catalyst in the deoxygenation of a variety of pyrolysis vapor model compounds. Although high deoxygenation activity has been demonstrated, complementary hydrogenation activity has been limited, especially for lignin-derived, aromatic model compounds. The ability to control the relative site densities of acidic and hydrogenation functionalities represents a catalyst design challenge for these materials with the goal to improve hydrogenation activity under ex situ catalytic fast pyrolysis (CFP) conditions. Here in this paper, we demonstrate that the addition of Pt and Ni to Mo 2C resulted in an increase in the H*-site densitymore » with only a minor decrease in the acid-site density. In contrast, the addition of Pd did not significantly alter the H* or acid site densities. High conversions (>94%) and high selectivities to 0-oxygen products (>80%) were observed in guaiacol deoxygenation under ex situ CFP conditions (350 °C and 0.44 MPa H 2) for all catalysts. Pt addition resulted in the greatest deoxygenation, and site-time yields to hydrogenated products over the Pt/Mo 2C catalyst were increased to 0.048 s -1 compared to 0.015-0.019 s -1 for all other catalysts. The Pt/Mo 2C catalyst demonstrated the highest hydrogenation performance, but modification with Ni also significantly enhanced hydrogenation performance, representing a promising lower-cost alternative.« less

Structural Characterization of CO-Inhibited Mo-Nitrogenase by Combined Application of Nuclear Resonance Vibrational Spectroscopy, Extended X-ray Absorption Fine Structure, and Density Functional Theory: New Insights into the Effects of CO Binding and the Role of the Interstitial Atom

DOE PAGES

Scott, Aubrey D.; Pelmenschikov, Vladimir; Guo, Yisong; ...

2014-10-02

The properties of CO-inhibited Azotobacter vinelandii (Av) Mo-nitrogenase (N 2ase) have been examined by the combined application of nuclear resonance vibrational spectroscopy (NRVS), extended X-ray absorption fine structure (EXAFS), and density functional theory (DFT). Dramatic changes in the NRVS are seen under high-CO conditions, especially in a 188 cm –1 mode associated with symmetric breathing of the central cage of the FeMo-cofactor. Similar changes are reproduced with the α-H195Q N 2ase variant. In the frequency region above 450 cm –1, additional features are seen that are assigned to Fe-CO bending and stretching modes (confirmed by 13CO isotope shifts). The EXAFSmore » for wild-type N 2ase shows evidence for a significant cluster distortion under high-CO conditions, most dramatically in the splitting of the interaction between Mo and the shell of Fe atoms originally at 5.08 Å in the resting enzyme. A DFT model with both a terminal ₋CO and a partially reduced ₋CHO ligand bound to adjacent Fe sites is consistent with both earlier FT-IR experiments, and the present EXAFS and NRVS observations for the wild-type enzyme. Another DFT model with two terminal CO ligands on the adjacent Fe atoms yields Fe-CO bands consistent with the α-H195Q variant NRVS. The calculations also shed light on the vibrational “shake” modes of the interstitial atom inside the central cage, and their interaction with the Fe-CO modes. We discuss implications for the CO and N 2 reactivity of N 2ase.« less

Structural characterization of CO-inhibited Mo-nitrogenase by combined application of nuclear resonance vibrational spectroscopy, extended X-ray absorption fine structure, and density functional theory: new insights into the effects of CO binding and the role of the interstitial atom.

PubMed

Scott, Aubrey D; Pelmenschikov, Vladimir; Guo, Yisong; Yan, Lifen; Wang, Hongxin; George, Simon J; Dapper, Christie H; Newton, William E; Yoda, Yoshitaka; Tanaka, Yoshihito; Cramer, Stephen P

2014-11-12

The properties of CO-inhibited Azotobacter vinelandii (Av) Mo-nitrogenase (N2ase) have been examined by the combined application of nuclear resonance vibrational spectroscopy (NRVS), extended X-ray absorption fine structure (EXAFS), and density functional theory (DFT). Dramatic changes in the NRVS are seen under high-CO conditions, especially in a 188 cm(-1) mode associated with symmetric breathing of the central cage of the FeMo-cofactor. Similar changes are reproduced with the α-H195Q N2ase variant. In the frequency region above 450 cm(-1), additional features are seen that are assigned to Fe-CO bending and stretching modes (confirmed by (13)CO isotope shifts). The EXAFS for wild-type N2ase shows evidence for a significant cluster distortion under high-CO conditions, most dramatically in the splitting of the interaction between Mo and the shell of Fe atoms originally at 5.08 Å in the resting enzyme. A DFT model with both a terminal -CO and a partially reduced -CHO ligand bound to adjacent Fe sites is consistent with both earlier FT-IR experiments, and the present EXAFS and NRVS observations for the wild-type enzyme. Another DFT model with two terminal CO ligands on the adjacent Fe atoms yields Fe-CO bands consistent with the α-H195Q variant NRVS. The calculations also shed light on the vibrational "shake" modes of the interstitial atom inside the central cage, and their interaction with the Fe-CO modes. Implications for the CO and N2 reactivity of N2ase are discussed.

Tunable plasmon resonance and enhanced second harmonic generation and upconverted fluorescence of hemispheric-like silver core/shell islands

NASA Astrophysics Data System (ADS)

Ding, Si-Jing; Nan, Fan; Yang, Da-Jie; Zhong, Yu-Ting; Hao, Zhong-Hua; Wang, Qu-Quan

2015-09-01

We investigate tunable plasmon resonance and enhanced second harmonic generation (SHG) and up-converted fluorescence (UCF) of the hemispheric-like silver core/shell islands. The Ag, Ag/Ag2O, and Ag/Ag2O/Ag island films are prepared by using a sputtering technique. The SHG and UCF of the Ag/Ag2O/Ag core/shell islands near the percolating regime is enhanced 2.34 and 3.94 times compared to the sum of two individual counterparts of Ag/Ag2O core/shell and Ag shell islands. The ratio of SHG intensity induced by p- and s-polarization is 0.86 for the initial Ag islands and increase to 1.61 for the Ag/Ag2O/Ag core/shell samples. The tunable intensity ratio of SHG to UCF of the Ag islands treated by thermal and laser annealing processes is also observed. The physical mechanism of the enhanced SHG and UCF in the Ag/Ag2O/Ag core/shell islands is discussed. Our observations provide a new approach to fabricate plasmon-enhanced optical nonlinear nanodevices with tunable SHG and UCF.We investigate tunable plasmon resonance and enhanced second harmonic generation (SHG) and up-converted fluorescence (UCF) of the hemispheric-like silver core/shell islands. The Ag, Ag/Ag2O, and Ag/Ag2O/Ag island films are prepared by using a sputtering technique. The SHG and UCF of the Ag/Ag2O/Ag core/shell islands near the percolating regime is enhanced 2.34 and 3.94 times compared to the sum of two individual counterparts of Ag/Ag2O core/shell and Ag shell islands. The ratio of SHG intensity induced by p- and s-polarization is 0.86 for the initial Ag islands and increase to 1.61 for the Ag/Ag2O/Ag core/shell samples. The tunable intensity ratio of SHG to UCF of the Ag islands treated by thermal and laser annealing processes is also observed. The physical mechanism of the enhanced SHG and UCF in the Ag/Ag2O/Ag core/shell islands is discussed. Our observations provide a new approach to fabricate plasmon-enhanced optical nonlinear nanodevices with tunable SHG and UCF. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03627e

Enabling Colloidal Synthesis of Edge-Oriented MoS2 with Expanded Interlayer Spacing for Enhanced HER Catalysis.

PubMed

Sun, Yugang; Alimohammadi, Farbod; Zhang, Dongtang; Guo, Guangsheng

2017-03-08

By selectively promoting heterogeneous nucleation/growth of MoS 2 on graphene monolayer sheets, edge-oriented (EO) MoS 2 nanosheets with expanded interlayer spacing (∼9.4 Å) supported on reduced graphene oxide (rGO) sheets were successfully synthesized through colloidal chemistry, showing the promise in low-cost and large-scale production. The number and edge length of MoS 2 nanosheets per area of graphene sheets were tuned by controlling the reaction time in the microwave-assisted solvothermal reduction of ammonium tetrathiomolybdate [(NH 4 ) 2 MoS 4 ] in dimethylformamide. The edge-oriented and interlayer-expanded (EO&IE) MoS 2 /rGO exhibited significantly improved catalytic activity toward hydrogen evolution reaction (HER) in terms of larger current density, lower Tafel slope, and lower charge transfer resistance compared to the corresponding interlayer-expanded MoS 2 sheets without edge-oriented geometry, highlighting the importance of synergistic effect between edge-oriented geometry and interlayer expansion on determining HER activity of MoS 2 nanosheets. Quantitative analysis clearly shows the linear dependence of current density on the edge length of MoS 2 nanosheets.

Isotopic Composition of Molybdenum and Barium in Single Presolar Silicon Carbide Grains of Type A+B

NASA Technical Reports Server (NTRS)

Savina, M. R.; Tripa, C. E.; Pellin, M. J.; Davis, A. M.; Clayton, R. N.; Lewis, R. S.; Amari, S.

2003-01-01

Presolar SiC grains fall into several groups based on C, N, and Si isotopic compositions. Approximately 93% are defined as mainstream, having 10 less than C-12/C-13 less than 100 and N-14/N-15 ranging from 50 to 20,000. A number of studies have shown that the most likely sources of mainstream grains are low mass asymptotic giant branch stars. Models of nucleosynthesis in AGB stars reproduce the s-process enhancements seen in the heavy elements in mainstream SiC grains. Among the less common grains, A+B grains, which comprise approximately 3-4% of presolar SiC, are perhaps the least well understood. Recent studies by Amari et al. show that A+B grains can be divided into at least 4 groups based on their trace element concentration patterns. Of 20 grains studied, 7 showed trace element patterns consistent with condensation from a gas of solar system composition, while the rest had varying degrees of process enhancements. Our previous measurements on 3 A+B grains showed Mo of solar isotopic composition, but Zr with a strong enhancement in 96Zr, which is an r-process isotope but can be made in an sprocess if the neutron density is high enough to bridge the unstable Zr-95 (T(sub 1/2)= 64 d). The observation of Mo with solar system isotopic composition in the same grains is puzzling however. Meyer et al. have recently shown that a neutron burst mechanism can produce a high Zr-96/Zr-94 without enhancing Mo-100, however this model leads to enhancements in Mo-95 and Mo-97 not observed in A+B grains. We report here results of Mo measurements on 7 additional A+B grains, and Ba measurements on 2 A+B grains, and compare these to the previous studies.

Density functional study of the structural, electronic, and magnetic properties of Mo n and Mo n S ( n = 1 - 10) clusters

NASA Astrophysics Data System (ADS)

Ziane, M.; Amitouche, F.; Bouarab, S.; Vega, A.

2017-12-01

Structural and electronic properties of pure molybdenum Mo n and molybdenum-sulfide Mo n S ( n = 1 - 10) clusters were investigated in the framework of the density functional theory within the generalized gradient approximation to exchange and correlation with the aim of addressing how doping with a single S atom affects the geometries, magnetic properties, and reactivity of pure molybdenum clusters. These clusters exhibit a less marked tendency to dimerization than their isoelectronic Cr counterparts despite sharing their half-filled valence shell configuration. Doping with a single S impurity is enough to change the structure of the host molybdenum cluster to a large extent, as well as to modify the bonding pattern, the magnetic state and the magnetic moment distribution in the Mo host. Vertical ionization potentials and electron affinities are calculated to determine global reactivity indicators like the electronegativity and the chemical hardness. The results are discussed in terms of the thermodynamical and relative stabilities, charge transfer effects, and spin-polarized densities of electronic states.

Oxygen-incorporated MoS2 microspheres with tunable interiors as novel electrode materials for supercapacitors

NASA Astrophysics Data System (ADS)

Sun, Tianhua; Li, Zhangpeng; Liu, Xiaohong; Ma, Limin; Wang, Jinqing; Yang, Shengrong

2017-06-01

In this work, a simple and facile one-step hydrothermal method is developed to synthesize oxygen-incorporated molybdenum disulphide (O-MoS2) microspheres with tunable interiors (solid, yolk-shell and hollow microstructures) by using carbon disulfide (CS2) as soft template and sulfur source simultaneously. The synthesized O-MoS2 microspheres with enlarged interlayer spacing of ca. 9.8 Å show remarkable electrochemical performances as novel electrode materials for supercapacitors (SCs). Specifically, O-MoS2 hollow microsphere exhibits optimal electrochemical performances with a high specific capacitance of 744.2 F g-1 at a current density of 1 A g-1 and a good cycling stability with ca. 77.8% capacitance retention after 10 K continuous charge-discharge cycles at a high current density of 5 A g-1, thus making it a promising electrode material for high-performance SCs. The excellent electrochemical performances are mainly attributed to the enlarged interlayer spacing and the reduced band gap owing to the oxygen incorporation in MoS2 and the hollow microstructure.

Effects of prenatal multiple micronutrient supplementation on growth and cognition through 2 y of age in rural Bangladesh: the JiVitA-3 Trial.

PubMed

Christian, Parul; Kim, Jeongyong; Mehra, Sucheta; Shaikh, Saijuddin; Ali, Hasmot; Shamim, Abu Ahmed; Wu, Lee; Klemm, Rolf; Labrique, Alain B; West, Keith P

2016-10-01

Childhood undernutrition may have prenatal origins, and the impact of prenatal interventions on postnatal growth is not well known. We assessed the effects of prenatal multiple micronutrient (MM) supplementation on child growth and cognitive development. In a cluster-randomized controlled trial in rural Bangladesh, prenatal MM supplementation compared with iron-folic acid (IFA) supplementation was examined for its impact on growth assessed longitudinally from birth up to 24 mo of age (n = 8529) and, in a subsample (n = 734), on cognitive function at 24 mo of age by use of the Bayley scales of infant and toddler development-third edition test. Prevalence of stunting at birth [length for age z score (LAZ): <-2] was 31.9% in the MM and 35.7% in the IFA groups (P < 0.001); however, LAZ increased during the first 3-4 mo in both groups. With the use of a linear random-effects model, prenatal MM-exposed children sustained a higher mean predicted LAZ of ∼0.10 at 1 and 3 mo and 0.06 at 6 mo of age compared with children in the IFA group. Supplementation reduced the prevalence of stunting at 1 (RR: 0.95; 95% CI: 0.92, 0.98) and 3 (RR: 0.91; 95% CI: 0.88, 0.94) mo of age. Differences between groups were absent by 6, 12, and 24 mo of age, when nearly 50% of children had stunted growth. Ponderal and linear growth velocities were somewhat slower from 3 to 12 mo of age in the MM group than in the IFA group, but not from 12 to 24 mo of age. There was no difference between groups on composite scores of cognition, language, and motor performance at 24 mo of age. In this Bangladeshi trial, maternal pre- and postnatal MM supplementation resulted in improvements in LAZ and reduction in stunting through 3 mo of age, but not thereafter and had no impact on cognitive and motor function at 2 y. This trial was registered at clinicaltrials.gov as NCT000860470. © 2016 American Society for Nutrition.

Optimum storage and germination conditions for seeds of pickerelweed (Pontetieria cordata L.) from Florida

Treesearch

Lyn A. Gettys; R. Kasten Dumroese

2009-01-01

Clean seeds of pickerelweed (Pontederia cordata L. [Pontederiaceae]) germinated best (84 to 94%) under water, even after being stored dry up to 6 mo at about 25 °C (77 °F), but germination of clean seeds under water was reduced to 43% when seeds were stored at 4 °C (39 3 F) for 6 mo. Underwater germination of seeds enclosed in fruits was less...

Exothermic Surface Reactions in Alumina-Aluminum Shell-Core Nanoparticles with Iodine Oxide Decomposition Fragments

DTIC Science & Technology

2014-02-22

substantially high heat of combustion 6.22 kJ/g in comparison to other thermite reactions such as Al/CuO (4.09 kJ/g), Al/MoO3 (4.72 kJ/g), and Al/Fe2O3 (3.97 kJ...oxide shell growth on nano aluminum thermite propagation rates. Combust Flame 159:3448 3453 Granier JJ, Pantoya ML (2004) Laser ignition of...nanocomposite thermites . Combust Flame 138:373 383 2310 Page 8 of 9 J Nanopart Res (2014) 16:2310 1 3 Hlavacek V, Pranda P, Prandova K (2005) Reactivity, stored

Cleaning oil refining drainage waters out of emulsified oil products with thermic treated cedar nut shell

NASA Astrophysics Data System (ADS)

Pyatanova, P. A.; Adeeva, L. N.

2017-08-01

It was elaborated the ability of the sorbent produced by thermic treatment of cedar nut shell to destruct model and real first kind (direct) emulsions in static and dynamic conditions. In static conditions optimal ratio sorbent-emulsion with the original concentration of oil products 800 mg/l was in the range of 2.0 g per 100 ml of emulsion which corresponds to the level of treatment 94.9%. The time of emulsion destruction was 40 minutes. This sorbent is highly active in dynamic processes of oil-contaminated water treatment, the level of treatment 96.0% is being achieved. Full dynamic sorptive capacity of the sorbent is 0.85 g/g. Sorbent based on the thermic treated cedar nut shell can be elaborated as sorptive filter element of local treatment facilities of oil refining and petrochemical processes. After the treatment with this sorbent of drainage waters of oil refinery in dynamic conditions the concentration of oil products became less than mpc on oil products for waste waters coming to biological treatment.

Sensitivity of Double-Shell Ignition Capsules to Asymmetric Drive

NASA Astrophysics Data System (ADS)

Tregillis, I. L.; Magelssen, G. R.; Delamater, N. D.; Gunderson, M. A.; Hoffman, N. M.

2007-11-01

Double-shell (DS) targets [1] present an alternative approach to ignition via the cryogenic single-shell point design [2]. Although these targets present unique fabrication challenges, they embody many attractive features, including non-cryogenic fielding and low threshold temperatures (˜4 keV) for volume ignition [3-4]. We have used 2D radiation-hydrodynamic modeling to survey the behavior of DS targets under asymmetric temperature drive in rugby vacuum hohlraums. The yield is robust against deviations from symmetric illumination, varying smoothly as a function of the imposed P2 and P4 amplitudes. Ignition occurs even when 10% or more of the drive is contained in Legendre P2 or P4 components, with yield reductions on the order of 50% for the most extreme cases investigated here. [1] P. Amendt et al., Phys. of Plasmas 9, 2221 (2002) [2] D. A. Callahan et al., Phys. of Plasmas 13, 56307 (2005) [3] P. Amendt et al., Phys. Rev. Lett. 94, 65004 (2005) [4] W. S. Varnum et al., Phys. Rev. Lett. 84, 5153 (2000)

Microstructural evolution and IMCs growth behavior of Sn-58Bi-0.25Mo solder joint during aging treatment

NASA Astrophysics Data System (ADS)

Yang, Li; Zhu, Lu; Zhang, Yaocheng; Zhou, Shiyuan; Xiong, Yifeng; Wu, Pengcheng

2018-02-01

The microstructural evolution and IMCs growth behavior of Sn-58Bi and Sn-58Bi-0.25Mo solder joints were investigated. The results showed that the microstructure is coarsened, the IMCs layer thickness is increased and the tensile strength of Sn-58Bi and Sn-58Bi-0.25Mo solder joints is decreased with increasing aging time and temperature. Aging temperature is the key factor that causes the excessive IMCs growth of the solder joint compared with aging time, and the activation energy of IMCs layer growth of Sn-58Bi and Sn-58Bi-0.25Mo solder joints is 48.94 kJ mol-1 and 53.79 kJ mol-1, respectively. During the aging treatment, the microstructure of Sn-58Bi solder joint is refined by adding Mo nanoparticles, and the appropriate IMCs layer thickness and improved mechanical properties are obtained by Sn-58Bi-0.25Mo solder joint.

Heavy element production in inhomogeneous big bang nucleosynthesis

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

Matsuura, Shunji; Fujimoto, Shin-ichirou; Nishimura, Sunao

2005-12-15

We present a new astrophysical site of the big bang nucleosynthesis (BBN) that are very peculiar compared with the standard BBN. Some models of the baryogenesis suggest that very high baryon density regions were formed in the early universe. On the other hand, recent observations suggest that heavy elements already exist in high red-shifts and the origin of these elements become a big puzzle. Motivated by these, we investigate BBN in very high baryon density regions. BBN proceeds in proton-rich environment, which is known to be like the p-process. However, by taking very heavy nuclei into account, we find thatmore » BBN proceeds through both the p-process and the r-process simultaneously. P-nuclei such as {sup 92}Mo, {sup 94}Mo, {sup 96}Ru, {sup 98}Ru whose origin is not well known are also synthesized.« less

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

Park, Jinhee; Chen, Ying-Pin; Perry, Zachary

A series of molybdenum- and copper-based MOPs were synthesized through coordination-driven process of a bridging ligand (3,3 -PDBAD, L1) and dimetal paddlewheel clusters. Three conformers of the ligand exist with an ideal bridging angle between the two carboxylate groups of 0° (H2α-L1), 120° (H2β-L1), and of 90° (H2γ-L1), respectively. At ambient or lower temperature, H2L1 and Mo2(OAc)4 or Cu2(OAc)4 were crystallized into a molecular square with γ-L1 and Mo2/Cu2 units. With proper temperature elevation, not only the molecular square with γ-L1 but also a lantern-shaped cage with α-L1 formed simultaneously. Similar to how Watson–Crick pairs stabilize the helical structure ofmore » duplex DNA, the core–shell molecular assembly possesses favorable H-bonding interaction sites. This is dictated by the ligand conformation in the shell, coding for the formation and providing stabilization of the central lantern shaped core, which was not observed without this complementary interaction. On the basis of the crystallographic implications, a heterobimetallic cage was obtained through a postsynthetic metal ion metathesis, showing different reactivity of coordination bonds in the core and shell. As an innovative synthetic strategy, the site-selective metathesis broadens the structural diversity and properties of coordination assemblies.« less

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

Park, J; Chen, YP; Perry, Z

A series of molybdenum- and copper-based MOPs were synthesized through coordination-driven process of a bridging ligand (3,3'-PDBAD, L-1) and dimetal paddlewheel clusters. Three conformers of the ligand exist with an ideal bridging angle between the two carboxylate groups of 0 degrees (H-2 zeta-L(1)), 120 degrees (H-2 beta-L-1), and of 90 degrees (H-2 beta-L-1), respectively. At ambient or lower temperature, (HL1)-L-2 and Mo-2(OAc)(4) or Cu-2(OAc)(4) were crystallized into a molecular square with ?-L-1 and Mo-2/Cu-2 units. With proper temperature elevation, not only the molecular square with ?-L-1 but also a lantern-shaped cage with a-L-1 formed simultaneously. Similar to how Watson-Crick pairsmore » stabilize the helical structure of duplex DNA, the core-shell molecular assembly possesses favorable H-bonding interaction sites. This is dictated by the ligand conformation in the shell, coding for the formation and providing stabilization of the central lantern shaped core, which was not observed without this complementary interaction. On the basis of the crystallographic implications, a heterobimetallic cage was obtained through a postsynthetic metal ion metathesis, showing different reactivity of coordination bonds in the core and shell. As an innovative synthetic strategy, the site-selective metathesis broadens the structural diversity and properties of coordination assemblies.« less

Effect of Ni and noble metals (Ru, Pd and Pt) on performance of bifunctional MoP/SiO2 for hydroconversion of methyl laurate

NASA Astrophysics Data System (ADS)

Nie, Ziyang; Zhang, Zhena; Chen, Jixiang

2017-10-01

SiO2 supported bifunctional MoP catalysts modified with different metal promoters (Ni, Ru, Pd, Pt), where Mo/Ni and Mo/M(M = Ru, Pd and Pt) atomic ratios was respectively 10 and 40, were prepared by TPR method from the phosphate precursors. It was found that the introduction of metal promoters facilitated the reduction of phosphate precursor and enhanced the dispersion of MoP. However, the MoP catalyst acidity was scarcely influenced by the small amount of metal promoters. In the hydroconversion of methyl laurate, the promoters enhanced the MoP catalyst activity for conversion of methyl laurate and hydrogenation of alkenes (intermediate), but reduced isomerization ability. Among the promoters, Ru was an optimum to decrease selectivity to alkenes while maintain high selectivity to iso-alkanes, and Mo40RuP showed better stability than MoP. At 380 °C and 3.0 MPa, the conversion of methyl laurate, the total selectivity to C11 and C12 hydrocarbons and the selectivity to iso-alkanes maintained at 100%, ∼94% and ∼30% on Mo40RuP during 102 h, respectively. The good stability of Mo40RuP is ascribed to that the presence of Ru prevented the sintering of MoP particles and suppressed carbon deposition.

A reassessment study of multi-material-shell gas puff z-pinches as a pulsed neutron source on the sandia ZR

NASA Astrophysics Data System (ADS)

Chong, Y. K.; Velikovich, A. L.; Thornhil, J. W.; Giuliani, J. L.; Knapp, P.; Jennings, C.

2013-10-01

Over the last few years, numerous 1D and 2D MHD simulation studies of deuterium (D) based double-shell gas-puff Z-pinch implosions driven by the Sandia ZR accelerator have been carried out to assess the Z-pinch as a pulsed thermal fusion neutron source. In these studies, an ad-hoc time-dependent shunt impedance model was used within the external driving circuit model in order to account for the unresolved current loss in the MITL and the load. In this study, we incorporate an improved ZR circuit model recently formulated based on the recent Sandia argon gas-puff experiment circuit data into the multi-material version of the Mach +DDTCRE RMHD code. We reinvestigate the effects of multidimensional structure and nonuniform gradients as well as the outer- and inner-shell material interaction on the implosion physics and dynamics of both D-on-D and argon-on-D Z-pinch loads using the model. Then, we characterize the neutron production performance of the Z-pinch loads as a function of total mass, mass ratio and/or radius toward their optimization as a pulsed thernonuclear neutron source. Work supported by DOE/NNSA. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's NNSA under contract DE-AC04-94AL85000.

Effect of bimodal harmonic structure design on the deformation behaviour and mechanical properties of Co-Cr-Mo alloy.

PubMed

Vajpai, Sanjay Kumar; Sawangrat, Choncharoen; Yamaguchi, Osamu; Ciuca, Octav Paul; Ameyama, Kei

2016-01-01

In the present work, Co-Cr-Mo alloy compacts with a unique bimodal microstructural design, harmonic structure design, were successfully prepared via a powder metallurgy route consisting of controlled mechanical milling of pre-alloyed powders followed by spark plasma sintering. The harmonic structured Co-Cr-Mo alloy with bimodal grain size distribution exhibited relatively higher strength together with higher ductility as compared to the coarse-grained specimens. The harmonic Co-Cr-Mo alloy exhibited a very complex deformation behavior wherein it was found that the higher strength and the high retained ductility are derived from fine-grained shell and coarse-grained core regions, respectively. Finally, it was observed that the peculiar spatial/topological arrangement of stronger fine-grained and ductile coarse-grained regions in the harmonic structure promotes uniformity of strain distribution, leading to improved mechanical properties by suppressing the localized plastic deformation during straining. Copyright © 2015 Elsevier B.V. All rights reserved.

Impurities in Tc-99m radiopharmaceutical solution obtained from Mo-100 in cyclotron.

PubMed

Tymiński, Zbigniew; Saganowski, Paweł; Kołakowska, Ewa; Listkowska, Anna; Ziemek, Tomasz; Cacko, Daniel; Dziel, Tomasz

2018-04-01

The gamma emitting impurities in 99m Tc solution obtained from enriched molybdenum 100 Mo metallic target after its irradiation in a cyclotron were measured using a high-purity germanium (HPGe) detector. The radioactivity range of tested samples of 99m Tc was rather low, in the range from 0.34 to 2.39 MBq, thus creating a challenge to investigate the standard measurement HPGe system for impurity detection and quantification. In the process of 99m Tc separation from irradiated target the AnaLig® Tc-02 resin, Dionex H + and Alumina A columns were used. Fractions of eluates from various steps of separation process were taken and measured for radionuclidic purity. The overall measurement sensitivity of gamma emitters in terms of minimum detectable activity (MDA) was found at the level of 14-70Bq with emission lines in range of 36 - 1836keV resulting in impurity content range of 6.7 × 10 -4 to 3.4 × 10 -3 % for 93 Tc, 93m Tc, 94 Tc, 94m Tc, 95 Tc, 95m Tc, 96 Tc 96 Nb, 97 Nb, 99 Mo contaminants and 9.4 × 10 -3 % for 97m Tc. The usefulness of the chosen measurement conditions and the method applied to testing the potential contaminators was proved by reaching satisfactory results of MDAs less than the criteria of impurity concentration of all nuclides specified in the European Pharmacopoeia. Copyright © 2017 Elsevier Ltd. All rights reserved.

Optical filtering and luminescence property of some molybdates prepared by combustion synthesis

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

Yadav, P. J., E-mail: yadav.pooja75@yahoo.in; Joshi, C. P.; Moharil, S. V., E-mail: svmoharil@yahoo.com

2014-10-15

As an important class of lanthanide inorganic compounds, rare earth ions doped molybdates have gained much attention due to their attractive luminescence and structural properties, supporting various promising applications as phosphor materials in the fields such as white light-emitting diodes, optical fibers, biolabel, lasers, and so on. The molybdate family has promising trivalent cation conducting properties and most of the optical properties result from electron transitions of the 4f shell, which are greatly affected by the composition and structures of rare-earth compounds. In this paper we report the molybdate CaMoO{sub 4}:Eu{sup 3+} for red SSL and Bi{sub 1.4}Y{sub 0.6}MoO{sub 6},more » Y{sub 6}MoO{sub 12} for optical filtering, prepared by one step combustion synthesis.« less

7Li-induced reaction on natMo: A study of complete versus incomplete fusion

NASA Astrophysics Data System (ADS)

Kumar, Deepak; Maiti, Moumita; Lahiri, Susanta

2017-07-01

Background: Several investigations on the complete-incomplete fusion (CF-ICF) dynamics of α -cluster well-bound nuclei have been contemplated above the Coulomb barrier (˜4 -7 MeV/nucleon) in recent years. It is therefore expected to observe significant ICF over CF in the reactions induced by a weakly bound α -cluster nucleus at slightly above the barrier. Purpose: Study of the CF-ICF dynamics by measuring the populated residues in the weakly bound 7Li+natMo system at energies slightly above the Coulomb barrier to well above it. Method: In order to investigate CF-ICF in the loosely bound system, 7Li beam was bombarded on the natMo foils, separated by the aluminium (Al) catcher foils alternatively, within ˜3 -6.5 MeV/nucleon. Evaporation residues produced in each foil were identified by the off-line γ -ray spectrometry. Measured cross section data of the residues were compared with the theoretical model calculations based on the equilibrium (EQ) and pre-equilibrium (PEQ) reaction mechanisms. Results: The experimental cross section of Rh 101 m,100 ,99 m,97 ,Ru,9597,Tc 99 m,96 ,95 ,94 ,93 m+g , and 93mMo residues measured at various projectile energies were satisfactorily reproduced by the simplified coupled channel approach in comparison to single barrier penetration model calculation. Significant cross section enhancement in the α -emitting channels was observed compared to EQ and PEQ model calculations throughout observed energy region. The ICF process over CF was analyzed by comparing with EMPIRE. The increment of the incomplete fusion fraction was observed with increasing projectile energies. Conclusions: Theoretical model calculations reveal that the compound reaction mechanism is the major contributor to the production of residues in 7Li+natMo reaction. Theoretical evaluations substantiate the contribution of ICF over the CF in α -emitting channels. EMPIRE estimations shed light on its predictive capability of cross sections of the residues from the heavy-ion induced reactions.

Microcapsules Containing pH-Responsive, Fluorescent Polymer-Integrated MoS2: An Effective Platform for in Situ pH Sensing and Photothermal Heating.

PubMed

Park, Chan Ho; Lee, Sangmin; Pornnoppadol, Ghasidit; Nam, Yoon Sung; Kim, Shin-Hyun; Kim, Bumjoon J

2018-03-14

We report the design of a novel microcapsule platform for in situ pH sensing and photothermal heating, which involves the encapsulation of pH-responsive polymer-coated molybdenum disulfide (MoS 2 ) nanosheets (NSs) in microcapsules with an aqueous core and a semipermeable polymeric shell. The MoS 2 NSs were functionalized with pH-responsive polymers having fluorescent groups at the distal end to provide pH-sensitive Förster resonance energy transfer (FRET) effect. The pH-responsive polymers were carefully designed to produce a dramatic change in the polymer conformation, which translated to a change in the FRET efficiency near pH 7.0 in response to subtle pH changes, enabling the detection of cancer cells. The pH-sensitive MoS 2 NSs were microfluidically encapsulated within semipermeable membranes to yield microcapsules with a uniform size and composition. The microcapsules retained the MoS 2 NSs without leakage while allowing the diffusion of small ions and water through the membrane. At the same time, the membranes excluded adhesive proteins and lipids in the surrounding media, protecting the encapsulated MoS 2 NSs from deactivation and enabling in situ pH monitoring. Moreover, the encapsulated MoS 2 NSs showed high-performance photothermal heating, rendering the dual-functional microcapsules highly suitable for cancer diagnosis and treatment.

General synthesis of hierarchical C/MOx@MnO2 (M=Mn, Cu, Co) composite nanofibers for high-performance supercapacitor electrodes.

PubMed

Nie, Guangdi; Lu, Xiaofeng; Chi, Maoqiang; Gao, Mu; Wang, Ce

2018-01-01

Improving the conductivity and specific surface area of electrospun carbon nanofibers (CNFs) is beneficial to a rapid realization of their applications in energy storage field. Here, a series of one-dimensional C/MO x (M=Mn, Cu, Co) nanostructures are first prepared by a simple two-step process consisting of electrospinning and thermal treatment. The presence of low-valence MO x enhances the porosity and conductivity of nanocomposites to some extent through expanding graphitic domains or mixing metallic Cu into the CNF substrates. Next, the C/MO x frameworks are coated with MnO 2 nanosheets/nanowhiskers (C/MO x @MnO 2 ), during which process the low-valence MO x can partly reduce KMnO 4 so as to mitigate the consumption of CNFs. When used as active materials for supercapacitor electrodes, the obtained C/MO x @MnO 2 exhibit excellent electrochemical performances in comparison with the common CNFs@MnO 2 (CM) core-shell electrode due to the combination of desired functions of the individual components and the introduction of extra synergistic effect. It is believed that these results will provide an alternative way to further increase the capacitive properties of CNFs- or metal oxide-based nanomaterials and potentially stimulate the investigation on other kinds of C/MO x composite nanostructures for various applications. Copyright © 2017 Elsevier Inc. All rights reserved.

Effect of 0.25 and 2.0 MeV He-Ion Irradiation on Short-Range Ordering in Model (EFDA) Fe-Cr Alloys

NASA Astrophysics Data System (ADS)

Dubiel, Stanisław M.; Żukrowski, Jan; Serruys, Yves

2018-05-01

The effects of He+ irradiation on a distribution of Cr atoms in Fe100-x Cr x (x = 5.8, 10.75, 15.15) alloys were studied by 57Fe Conversion Electron Mössbauer Spectroscopy (CEMS). The alloys were irradiated with doses up to 12 × 1016 ions/cm2 with 0.25 and 2.0 MeV He+ ions. The distribution of Cr atoms within the first two coordination shells around Fe atoms was expressed with short-range order parameters α 1 (first-neighbor shell, 1NN), α 2 (second-neighbor shell, 2NN), and α 12 (1NN + 2NN). In non-irradiated alloys, α 1 >0 and α 2 <0 was revealed for all three samples. The value of α 12 ≈0, i.e., the distribution of Cr atoms averaged over 1NN and 2NN, was random. The effect of the irradiation of the Fe94.2Cr5.8 alloy was similar for the two energies of He+, viz., increase of number of Cr atoms in 1NN and decrease in 2NN. Consequently, the degree of ordering increased. For the other two samples, the effect of the irradiation depends on the composition, and is stronger for the less energetic ions where, for Fe89.25Cr10.75 alloy, the disordering disappeared and some traces of Cr clustering appeared. In Fe84.85Cr15.15 alloy, the clustering was clear. In the samples irradiated with 2. 0 MeV He+ ions, the ordering also survived in the samples with x = 10.75 and 15.15, yet its degree became smaller than in the Fe94.2Cr5.8 alloy.

7 CFR 94.2 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-01-01

... following terms will be construed to mean: Egg. The shell egg of the domesticated chicken, turkey, duck... mandatory egg product sample analyzed for the presence of Salmonella is also referred to as a confirmation...

7 CFR 94.2 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-01-01

... following terms will be construed to mean: Egg. The shell egg of the domesticated chicken, turkey, duck... mandatory egg product sample analyzed for the presence of Salmonella is also referred to as a confirmation...

7 CFR 94.2 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-01-01

... following terms will be construed to mean: Egg. The shell egg of the domesticated chicken, turkey, duck... mandatory egg product sample analyzed for the presence of Salmonella is also referred to as a confirmation...

7 CFR 94.2 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-01-01

... following terms will be construed to mean: Egg. The shell egg of the domesticated chicken, turkey, duck... mandatory egg product sample analyzed for the presence of Salmonella is also referred to as a confirmation...

7 CFR 94.2 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-01-01

... following terms will be construed to mean: Egg. The shell egg of the domesticated chicken, turkey, duck... mandatory egg product sample analyzed for the presence of Salmonella is also referred to as a confirmation...

Reconstruction of TiO2/MnO2-C nanotube/nanoflake core/shell arrays as high-performance supercapacitor electrodes

NASA Astrophysics Data System (ADS)

Xiong, Qinqin; Zheng, Cun; Chi, Hongzhong; Zhang, Jun; Ji, Zhenguo

2017-02-01

Construction of electrodes with fast reaction kinetics is of great importance for achieving advanced supercapacitors. Herein we report a facile combined synthetic strategy with atomic layer deposition (ALD) and electrodeposition to rationally fabricate nanotube/nanoflake core/shell arrays. ALD-TiO2 nanotubes are used as the skeleton core for assembly of electrodeposited MnO2-C nanoflake shells forming a core/shell structure. Highly porous architecture and good electrical conductivity are combined in this unique core/shell structure, resulting in fast ion/electron transfer. In tests of electrochemical performance, the TiO2/MnO2-C core/shell arrays are characterized as cathode for asymmetric supecapacitors and exhibit high specific capacitance (880 F g-1 at 2.5 A g-1), excellent rate properties (735 F g-1 at 30 A g-1) and good long-term cycling stability (94.3% capacitance retention after 20 000 cycles). The proposed electrode construction strategy is favorable for fabrication of other advanced supercapacitor electrodes.

Reconstruction of TiO2/MnO2-C nanotube/nanoflake core/shell arrays as high-performance supercapacitor electrodes.

PubMed

Xiong, Qinqin; Zheng, Cun; Chi, Hongzhong; Zhang, Jun; Ji, Zhenguo

2017-02-03

Construction of electrodes with fast reaction kinetics is of great importance for achieving advanced supercapacitors. Herein we report a facile combined synthetic strategy with atomic layer deposition (ALD) and electrodeposition to rationally fabricate nanotube/nanoflake core/shell arrays. ALD-TiO 2 nanotubes are used as the skeleton core for assembly of electrodeposited MnO 2 -C nanoflake shells forming a core/shell structure. Highly porous architecture and good electrical conductivity are combined in this unique core/shell structure, resulting in fast ion/electron transfer. In tests of electrochemical performance, the TiO 2 /MnO 2 -C core/shell arrays are characterized as cathode for asymmetric supecapacitors and exhibit high specific capacitance (880 F g -1 at 2.5 A g -1 ), excellent rate properties (735 F g -1 at 30 A g -1 ) and good long-term cycling stability (94.3% capacitance retention after 20 000 cycles). The proposed electrode construction strategy is favorable for fabrication of other advanced supercapacitor electrodes.

Metal Sulfide Nanocrystals inside Ferritin with Photovoltaic Applications

NASA Astrophysics Data System (ADS)

Hansen, Kameron; Peterson, J. Ryan; Olsen, Cameron; Hogg, Heather; Colton, John; Watt, Richard; Colton Team

Ferritin is a spherical protein shell used universally by organisms to store iron. Due to a number of ferritin's properties (a conductive shell, ability to be arranged in ordered arrays, and high stability), recent theoretical work has proposed that non-native semiconductor nanocrystals inside ferritin can be used for high-efficiency solar energy conversion. We present research on the synthesis of a variety of these nanocrystals (PbS, CuS, Mo2S, ZnS, and PbSe) inside ferritin's hollow interior and band gap energies of the resulting ferritin-nanocrystal constructs. We also report preliminary solar cell results for dye sensitized solar cells with PbS-ferritin as the dye.

Rational Synthesis of Branched CoMoO4@CoNiO2 Core/Shell Nanowire Arrays for All-Solid-State Supercapacitors with Improved Performance.

PubMed

Ai, Yuanfei; Geng, Xuewen; Lou, Zheng; Wang, Zhiming M; Shen, Guozhen

2015-11-04

Effectively composite materials with optimized structures exhibited promising potential in continuing improving the electrochemical performances of supercapacitors in the past few years. Here, we proposed a rational design of branched CoMoO4@CoNiO2 core/shell nanowire arrays on Ni foam by two steps of hydrothermal processing. Owing to the high activity of the scaffold-like CoMoO4 nanowires and the well-defined CoNiO2 nanoneedles, the three-dimensional (3D) electrode architectures achieved remarkable electrochemical performances with high areal specific capacitance (5.31 F/cm(2) at 5 mA/cm(2)) and superior cycling stability(159% of the original specific capacitance, i.e., 95.7% of the maximum retained after 5000 cycles at 30 mA/cm(2)). The all-solid-state asymmetric supercapacitors composed of such electrode and activated carbon (AC) exhibited an areal specific capacitance of 1.54 F/cm(2) at 10 mA/cm(2) and a rate capability (59.75 Wh/kg at a 1464 W/kg) comparable with Li-ion batteries. It also showed an excellent cycling stability with no capacitance attenuation after 50000 cycles at 100 mA/cm(2). After rapid charging (1 s), such supercapacitors in series could lighten a red LED for a long time and drive a mini motor effectively, demonstrating advances in energy storage, scalable integrated applications, and promising commercial potential.

Large-area and highly crystalline MoSe2 for optical modulator

NASA Astrophysics Data System (ADS)

Yin, Jinde; Chen, Hao; Lu, Wei; Liu, Mengli; Li, Irene Ling; Zhang, Min; Zhang, Wenfei; Wang, Jinzhang; Xu, Zihan; Yan, Peiguang; Liu, Wenjun; Ruan, Shuangchen

2017-12-01

Transition metal dichalcogenides (TMDs) have been successfully used as broadband optical modulator materials for pulsed fiber laser systems. However, the nonlinear optical absorptions of exfoliated TMDs are strongly limited by their nanoflakes morphology with uncontrollable lateral size and thickness. In this work, we provide an effective method to fully explore the nonlinear optical properties of MoSe2. Large-area and high quality lattice MoSe2 grown by chemical vapor deposition method was adopted as an optical modulator for the first time. The large-area MoSe2 shows excellent nonlinear optical absorption with a large modulation depth of 21.7% and small saturable intensity of 9.4 MW cm-2. After incorporating the MoSe2 optical modulator into fiber laser cavity as a saturable absorber, a highly stable Q-switching operation with single pulse energy of 224 nJ is achieved. The large-area MoSe2 possessing superior nonlinear optical properties compared to exfoliated nanoflakes affords possibility for the larger-area two-dimensional materials family as high performance optical devices.

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

Scott, Aubrey D.; Pelmenschikov, Vladimir; Guo, Yisong

The properties of CO-inhibited Azotobacter vinelandii (Av) Mo-nitrogenase (N 2ase) have been examined by the combined application of nuclear resonance vibrational spectroscopy (NRVS), extended X-ray absorption fine structure (EXAFS), and density functional theory (DFT). Dramatic changes in the NRVS are seen under high-CO conditions, especially in a 188 cm –1 mode associated with symmetric breathing of the central cage of the FeMo-cofactor. Similar changes are reproduced with the α-H195Q N 2ase variant. In the frequency region above 450 cm –1, additional features are seen that are assigned to Fe-CO bending and stretching modes (confirmed by 13CO isotope shifts). The EXAFSmore » for wild-type N 2ase shows evidence for a significant cluster distortion under high-CO conditions, most dramatically in the splitting of the interaction between Mo and the shell of Fe atoms originally at 5.08 Å in the resting enzyme. A DFT model with both a terminal ₋CO and a partially reduced ₋CHO ligand bound to adjacent Fe sites is consistent with both earlier FT-IR experiments, and the present EXAFS and NRVS observations for the wild-type enzyme. Another DFT model with two terminal CO ligands on the adjacent Fe atoms yields Fe-CO bands consistent with the α-H195Q variant NRVS. The calculations also shed light on the vibrational “shake” modes of the interstitial atom inside the central cage, and their interaction with the Fe-CO modes. We discuss implications for the CO and N 2 reactivity of N 2ase.« less

Mo-doped Na3V2(PO4)3@C composites for high stable sodium ion battery cathode

NASA Astrophysics Data System (ADS)

Wang, Xiaoxiao; Wang, Wanwan; Zhu, Baichuan; Qian, Fangfang; Fang, Zhen

2018-03-01

NASICON-type Na3V2(PO4)3 (NVP) with superior electrochemical performance has attracted enormous attention with the development of sodium ion batteries. The structural aggregation as well as poor conductivity of NVP hinder its application in high rate perforamance cathode with long stablity. In this paper, Na3V2- x Mo x (PO4)3@C was successfully prepared through two steps method, including sol-gel and solid state thermal reduction. The optimal doping amount of Mo was defined by experiment. When x was 0.15, the Na3V1.85Mo0.15(PO4)3@C sample has the best cycle performance and rate performance. The discharge capacity of Na3V1.85Mo0.15(PO4)3@C could reach 117.26 mA·h·g-1 at 0.1 C. The discharge capacity retention was found to be 94.5% after 600 cycles at 5 C.

Determination of the cutting forces regression functions for milling machining of the X105CrMo17 material

NASA Astrophysics Data System (ADS)

Popovici, T. D.; Dijmărescu, M. R.

2017-08-01

The aim of the research presented in this paper is to determine a cutting force prediction model for milling machining of the X105CrMo17 stainless steel. The analysed material is a martensitic stainless steel which, due to the high Carbon content (∼1%) and Chromium (∼17%), has high hardness and good corrosion resistance characteristics. This material is used for the steel structures parts which are subject of wear in corrosive environments, for making valve seats, bearings, various types of cutters, high hardness bushings, casting shells and nozzles, measuring instruments, etc. The paper is structured into three main parts in accordance to the considered research program; they are preceded by an introduction and followed by relevant conclusions. In the first part, for a more detailed knowledge of the material characteristics, a quality and quantity micro-analysis X-ray and a spectral analysis were performed. The second part presents the physical experiment in terms of input, necessary means, process and registration of the experimental data. In the third part, the experimental data is analysed and the cutting force model is developed in terms of the cutting regime parameters such as cutting speed, feed rate, axial depth and radial depth.

Abrupt shape transition at neutron number N =60 : B (E 2 ) values in 94,96,98Sr from fast γ -γ timing

NASA Astrophysics Data System (ADS)

Régis, J.-M.; Jolie, J.; Saed-Samii, N.; Warr, N.; Pfeiffer, M.; Blanc, A.; Jentschel, M.; Köster, U.; Mutti, P.; Soldner, T.; Simpson, G. S.; Drouet, F.; Vancraeyenest, A.; de France, G.; Clément, E.; Stezowski, O.; Ur, C. A.; Urban, W.; Regan, P. H.; Podolyák, Zs.; Larijani, C.; Townsley, C.; Carroll, R.; Wilson, E.; Fraile, L. M.; Mach, H.; Paziy, V.; Olaizola, B.; Vedia, V.; Bruce, A. M.; Roberts, O. J.; Smith, J. F.; Scheck, M.; Kröll, T.; Hartig, A.-L.; Ignatov, A.; Ilieva, S.; Lalkovski, S.; Korten, W.; Mǎrginean, N.; Otsuka, T.; Shimizu, N.; Togashi, T.; Tsunoda, Y.

2017-05-01

Lifetimes of low-lying yrast states in neutron-rich 94,96,98Sr have been measured by Germanium-gated γ -γ fast timing with LaBr 3 (Ce ) detectors using the EXILL&FATIMA spectrometer at the Institut Laue-Langevin. Sr fission products were generated using cold-neutron-induced fission of 235U and stopped almost instantaneously within the thick target. The experimental B (E 2 ) values are compared with results of Monte Carlo shell-model calculations made without truncation on the occupation numbers of the orbits spanned by eight proton and eight neutron orbits and show good agreement. Similarly to the Zr isotopes, the abrupt shape transition in the Sr isotopes near neutron number N =60 is identified as being caused by many-proton excitations to its g9 /2 orbit.

Prereduction of Metal Oxides via Carbon Plasma Treatment for Efficient and Stable Electrocatalytic Hydrogen Evolution.

PubMed

Zhang, Yongqi; Ouyang, Bo; Xu, Kun; Xia, Xinhui; Zhang, Zheng; Rawat, Rajdeep Singh; Fan, Hong Jin

2018-04-01

Prereduction of transition metal oxides is a feasible and efficient strategy to enhance their catalytic activity for hydrogen evolution. Unfortunately, the prereduction via the common H 2 annealing method is unstable for nanomaterials during the hydrogen evolution process. Here, using NiMoO 4 nanowire arrays as the example, it is demonstrated that carbon plasma (C-plasma) treatment can greatly enhance both the catalytic activity and the long-term stability of transition metal oxides for hydrogen evolution. The C-plasma treatment has two functions at the same time: it induces partial surface reduction of the NiMoO 4 nanowire to form Ni 4 Mo nanoclusters, and simultaneously deposits a thin graphitic carbon shell. As a result, the C-plasma treated NiMoO 4 can maintain its array morphology, chemical composition, and catalytic activity during long-term intermittent hydrogen evolution process. This work may pave a new way for simultaneous activation and stabilization of transition metal oxide-based electrocatalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultrahigh-performance pseudocapacitor based on phase-controlled synthesis of MoS2 nanosheets decorated Ni3S2 hybrid structure through annealing treatment

NASA Astrophysics Data System (ADS)

Huang, Long; Hou, Huijie; Liu, Bingchuan; Zeinu, Kemal; Zhu, Xiaolei; Yuan, Xiqing; He, Xiulin; Wu, Longsheng; Hu, Jingping; Yang, Jiakuan

2017-12-01

In this work, a hierarchical Ni3S2@MoS2 hybrid structure was synthesized by an effective strategy with a combined hydrothermal route and subsequent annealing treatment. When tested as supercapacitor electrodes, the Ni3S2@MoS2 composites exhibited high specific capacitance of 1418.5 F g-1 at 0.5 A g-1, which also showed a good capacitance retention of 75.8% at 5 A g-1 after 1250 cycles. The Ni3S2@MoS2 composites demonstrated 1.9 fold higher specific capacitance compared to the amorphous shell counterpart (NixSy@MoS2). Furthermore, the assembled asymmetric supercapacitor (Ni3S2@MoS2//rGO) also demonstrated a capacitance of 61 F g-1 at 0.5 A g-1, with energy and power densities of 21.7 Wh kg-1 at 400 W kg-1 and 12 Wh kg-1 at 2400 W kg-1 under an operating window of 1.6 V. The asymmetric supercapacitor also showed a favorable cycle stability with 72% capacity retention over 4000 cycles at 10 A g-1. The improved electrochemical performance is attributed to the synergetic effect of the large accessible surface area and optimal contacts between the MoS2 and the electrolyte, as well as high capacitance of the metallic Ni3S2 core.

Fixed reproducible tangible wealth in the United States, 1925-94

DOT National Transportation Integrated Search

1999-08-01

This volume presents estimates of fixed reproducible tangible wealth in the United States for 192594 that were prepared by the Bureau of Economic Analysis (BEA). It includes the investment series that were used to construct these estimates; for mo...

Constraints on core collapse from the black hole mass function

NASA Astrophysics Data System (ADS)

Kochanek, C. S.

2015-01-01

We model the observed black hole mass function under the assumption that black hole formation is controlled by the compactness of the stellar core at the time of collapse. Low-compactness stars are more likely to explode as supernovae and produce neutron stars, while high-compactness stars are more likely to be failed supernovae that produce black holes with the mass of the helium core of the star. Using three sequences of stellar models and marginalizing over a model for the completeness of the black hole mass function, we find that the compactness ξ2.5 above which 50% of core collapses produce black holes is ξ _{2.5}^{50%}=0.24 (0.15 < ξ _{2.5}^{50%} < 0.37 at 90% confidence). The models also predict that f = 0.18 (0.09 < f < 0.39) of core collapses fail. We tested four other criteria for black hole formation based on ξ2.0 and ξ3.0, the compactnesses at enclosed masses of 2.0 or 3.0 rather than 2.5 M⊙, the mass of the iron core MFe, and the mass inside the oxygen burning shell MO. We found that ξ2.0 works as well as ξ2.5, while ξ3.0, MFe and MO are significantly worse. As expected from the high compactness of 20-25 M⊙ stars, black hole formation in this mass range provides a natural explanation of the red supergiant problem.

Inner-shell/subshell photoionization cross section measurements using a gamma excited variable energy X-ray source

NASA Astrophysics Data System (ADS)

Sood, B. S.; Allawadhi, K. L.; Arora, S. K.

1982-02-01

The method developed for the determination of K/L shell photoionization cross sections in various elements, 39 ≤ Z ≤ 92, in the characteristic X-ray energy region using a gamma excited variable energy X-ray source has been used for the measurement of L III subshell photoionization cross sections in Pb, Th and U. The measurements are made at the K X-ray energies of Rb, Nb and Mo, since these are able to excite selectively the L III subshells of Pb, Th and U, respectively. The results, when compared with theoretical calculations of Scofield, are found to agree within the uncertainties of determination.

Detector evaluation of a prototype amorphous selenium-based full field digital mammography system

NASA Astrophysics Data System (ADS)

Jesneck, Jonathan L.; Saunders, Robert S.; Samei, Ehsan; Xia, Jessie Q.; Lo, Joseph Y.

2005-04-01

This study evaluated the physical performance of a selenium-based direct full-field digital mammography prototype detector (Siemens Mammomat NovationDR), including the pixel value vs. exposure linearity, the modulation transfer function (MTF), the normalized noise power spectrum (NNPS), and the detective quantum efficiency (DQE). The current detector is the same model which received an approvable letter from FDA for release to the US market. The results of the current prototype are compared to those of an earlier prototype. Two IEC standard beam qualities (RQA-M2: Mo/Mo, 28 kVp, 2 mm Al; RQA-M4: Mo/Mo, 35 kVp, 2 mm Al) and two additional beam qualities (MW2: W/Rh, 28 kVp, 2 mm Al; MW4: W/Rh, 35 kVp, 2 mm Al) were investigated. To calculate the modulation transfer function (MTF), a 0.1 mm Pt-Ir edge was imaged at each beam quality. Detector pixel values responded linearly against exposure values (R2 0.999). As before, above 6 cycles/mm Mo/Mo MTF was slightly higher along the chest-nipple axis compared to the left-right axis. MTF was comparable to the previously reported prototype, with slightly reduced resolution. The DQE peaks ranged from 0.71 for 3.31 μC/kg (12.83 mR) to 0.4 for 0.48 μC/kg (1.86 mR) at 1.75 cycles/mm for Mo/Mo at 28 kVp. The DQE range for W/Rh at 28 kVP was 0.81 at 2.03 μC/kg (7.87 mR) to 0.50 at 0.50 μC/kg (1.94 mR) at 1 cycle/mm. NNPS tended to increase with greater exposures, while all exposures had a significant low-frequency component. Bloom and detector edge artifacts observed previously were no longer present in this prototype. The new detector shows marked noise improvement, with slightly reduced resolution. There remain artifacts due to imperfect gain calibration, but at a reduced magnitude compared to a prototype detector.

One-by-one imprinting in two eccentric layers of hollow core-shells: Sequential electroanalysis of anti-HIV drugs.

PubMed

Singh, Kislay; Jaiswal, Swadha; Singh, Richa; Fatma, Sana; Prasad, Bhim Bali

2018-07-15

Double layered one-by-one imprinted hollow core-shells@ pencil graphite electrode was fabricated for sequential sensing of anti-HIV drugs. For this, two eccentric layers were developed on the surface of vinylated silica nanospheres to obtain double layered one-by-one imprinted solid core-shells. This yielded hollow core-shells on treatment with hydrofluoric acid. The modified hollow core-shells (single layered dual imprinted) evolved competitive diffusion of probe/analyte molecules. However, the corresponding double layered one-by-one imprinted hollow core-shells (outer layer imprinted with Zidovudine, and inner layer with Lamivudine) were found relatively better owing to their bilateral diffusions into molecular cavities, without any competition. The entire work is based on differential pulse anodic stripping voltammetry at double layered one-by-one imprinted hollow core-shells. This resulted in indirect detection of electro inactive targets with limits of detection as low as 0.91 and 0.12 (aqueous sample), 0.94 and 0.13 (blood serum), and 0.99 and 0.20 ng mL -1 (pharmaceutics) for lamivudine and zidovudine, respectively in anti-HIV drug combination. Copyright © 2018 Elsevier B.V. All rights reserved.

Shell biofilm-associated nitrous oxide production in marine molluscs: processes, precursors and relative importance.

PubMed

Heisterkamp, Ines M; Schramm, Andreas; Larsen, Lone H; Svenningsen, Nanna B; Lavik, Gaute; de Beer, Dirk; Stief, Peter

2013-07-01

Emission of the greenhouse gas nitrous oxide (N2 O) from freshwater and terrestrial invertebrates has exclusively been ascribed to N2 O production by ingested denitrifying bacteria in the anoxic gut of the animals. Our study of marine molluscs now shows that also microbial biofilms on shell surfaces are important sites of N2 O production. The shell biofilms of Mytilus edulis, Littorina littorea and Hinia reticulata contributed 18-94% to the total animal-associated N2 O emission. Nitrification and denitrification were equally important sources of N2 O in shell biofilms as revealed by (15) N-stable isotope experiments with dissected shells. Microsensor measurements confirmed that both nitrification and denitrification can occur in shell biofilms due to a heterogeneous oxygen distribution. Accordingly, ammonium, nitrite and nitrate were important drivers of N2 O production in the shell biofilm of the three mollusc species. Ammonium excretion by the animals was found to be sufficient to sustain N2 O production in the shell biofilm. Apparently, the animals provide a nutrient-enriched microenvironment that stimulates growth and N2 O production of the shell biofilm. This animal-induced stimulation was demonstrated in a long-term microcosm experiment with the snail H. reticulata, where shell biofilms exhibited the highest N2 O emission rates when the animal was still living inside the shell. © 2012 John Wiley & Sons Ltd and Society for Applied Microbiology.

Ultrathin MoS2-coated Ag@Si nanosphere arrays as an efficient and stable photocathode for solar-driven hydrogen production

NASA Astrophysics Data System (ADS)

Zhou, Qingwei; Su, Shaoqiang; Hu, Die; Lin, Lin; Yan, Zhibo; Gao, Xingsen; Zhang, Zhang; Liu, Jun-Ming

2018-03-01

Solar-driven photoelectrochemical (PEC) water splitting has attracted a great deal of attention recently. Silicon (Si) is an ideal light absorber for solar energy conversion. However, the poor stability and inefficient surface catalysis of Si photocathodes for the hydrogen evolution reaction (HER) have remained key challenges. Alternatively, MoS2 has been reported to exhibit excellent catalysis performance if sufficient active sites for the HER are available. Here, ultrathin MoS2 nanoflakes are directly synthesized to coat arrays of Ag-core Si-shell nanospheres (Ag@Si NSs) by using chemical vapor deposition. Due to the high surface area ratio and large curvature of these NSs, the as-grown MoS2 nanoflakes can accommodate more active sites. In addition, the high-quality coating of MoS2 nanoflakes on the Ag@Si NSs protects the photocathode from damage during the PEC reaction. An photocurrent density of 33.3 mA cm-2 at a voltage of -0.4 V is obtained versus the reversible hydrogen electrode. The as-prepared nanostructure as a hydrogen photocathode is evidenced to have high stability over 12 h PEC performance. This work opens up opportunities for composite photocathodes with high activity and stability using cheap and stable co-catalysts.

Ultrathin MoS2-coated Ag@Si nanosphere arrays as an efficient and stable photocathode for solar-driven hydrogen production.

PubMed

Zhou, Qingwei; Su, Shaoqiang; Hu, Die; Lin, Lin; Yan, Zhibo; Gao, Xingsen; Zhang, Zhang; Liu, Jun-Ming

2018-01-30

Solar-driven photoelectrochemical (PEC) water splitting has attracted a great deal of attention recently. Silicon (Si) is an ideal light absorber for solar energy conversion. However, the poor stability and inefficient surface catalysis of Si photocathodes for the hydrogen evolution reaction (HER) have remained key challenges. Alternatively, MoS 2 has been reported to exhibit excellent catalysis performance if sufficient active sites for the HER are available. Here, ultrathin MoS 2 nanoflakes are directly synthesized to coat arrays of Ag-core Si-shell nanospheres (Ag@Si NSs) by using chemical vapor deposition. Due to the high surface area ratio and large curvature of these NSs, the as-grown MoS 2 nanoflakes can accommodate more active sites. In addition, the high-quality coating of MoS 2 nanoflakes on the Ag@Si NSs protects the photocathode from damage during the PEC reaction. An photocurrent density of 33.3 mA cm -2 at a voltage of -0.4 V is obtained versus the reversible hydrogen electrode. The as-prepared nanostructure as a hydrogen photocathode is evidenced to have high stability over 12 h PEC performance. This work opens up opportunities for composite photocathodes with high activity and stability using cheap and stable co-catalysts.

Microwave-induced activation of additional active edge sites on the MoS2 surface for enhanced Hg0 capture

NASA Astrophysics Data System (ADS)

Zhao, Haitao; Mu, Xueliang; Yang, Gang; Zheng, Chengheng; Sun, Chenggong; Gao, Xiang; Wu, Tao

2017-10-01

In recent years, significant effort has been made in the development of novel materials for the removal of mercury from coal-derived flue gas. In this research, microwave irradiation was adopted to induce the creation of additional active sites on the MoS2 surface. The results showed that Hg0 capture efficiency of the adsorbent containing MoS2 nanosheets being microwave treated was as high as 97%, while the sample prepared via conventional method only showed an efficiency of 94% in its first 180 min testing. After the adsorbent was treated by microwave irradiation for 3 more times, its mercury removal efficiency was still noticeably higher than that of the sample prepared via conventional method. Characterization of surface structure of the MoS2 containing material together with DFT study further revealed that the (001) basal planes of MoS2 crystal structure were cracked into (100) edge planes (with an angle of approximately 75°) under microwave treatment, which subsequently resulted in the formation of additional active edge sites on the MoS2 surface and led to the improved performance on Hg0 capture.

Construction of CdS@UIO-66-NH2 core-shell nanorods for enhanced photocatalytic activity with excellent photostability.

PubMed

Liang, Qian; Cui, Sainan; Liu, Changhai; Xu, Song; Yao, Chao; Li, Zhongyu

2018-08-15

A novel class of CdS@UIO-66-NH 2 core shell heterojunction was fabricated by the facile in-situ solvothermal method. Characterizations show that porous UIO-66-NH 2 shell not only allows the visible light to be absorbed on CdS nanorod core, but also provides abundant catalytic active sites as well as an intimate heterojunction interface between UIO-66-NH 2 shell and CdS nanorod core. By taking advantage of this property, the core-shell composite presents highly solar-driven photocatalytic performance compared with pristine UIO-66-NH 2 and CdS nanorod for the degradation of organic dyes including malachite green (MG) and methyl orange (MO), and displays superior photostability after four recycles. Furthermore, the photoelectrochemical performance of CdS@UIO-66-NH 2 can be measured by the UV-vis spectra, Mott-Schottky plots and photocurrent. The remarkably enhanced photocatalytic activity of CdS@UIO-66-NH 2 can be ascribed to high surface areas, intimate interaction on molecular scale and the formation of one-dimensional heterojunction with n-n type. What's more, the core-shell heterostructural CdS@UIO-66-NH 2 can facilitate the effective separation and transfer of the photoinduced interfacial electron-hole pairs and protect CdS nanorod core from photocorrosion. Copyright © 2018 Elsevier Inc. All rights reserved.

An Investigation of the Mold-Flux Performance for the Casting of Cr12MoV Steel Using a Mold Simulator Technique

NASA Astrophysics Data System (ADS)

Zhou, Lejun; Wang, Wanlin; Xu, Chao; Zhang, Chen

2017-08-01

Mold flux plays important roles in the process of continuous casting. In this article, the performance of mold flux for the casting of Cr12MoV steel was investigated by using a mold simulator. The results showed that the slag film formed in the gap between the initial shell and mold hot surface is thin and discontinuous during the casting process with the Flux BM, due to the absorption of chromic oxide inclusions into the liquid slag, while the slag film formed in the case of the optimized Flux NEW casting process is uniform. The main precipitated crystals in Flux BM slag film are cuspidine (Ca4Si2O7F2) and Cr3O4, but only Ca4Si2O7F2 precipitated in the Flux NEW case. Besides, both the responding temperature and heat flux in the case of Flux BM are relatively higher and fluctuate in a larger amplitude. The surface of the shell obtained in the case of the Flux BM experiment is quite uneven, and many severe depressions, cracks, and entrapped slags are observed in the surface due to the lack of lubrication. However, the obtained shell surface in the case of the Flux NEW shows good surface quality due to the addition of B2O3 and the adjustment of basicity, which can compensate for the negative effects of the mold-flux properties caused by the absorption of chromic oxide during the casting process.

Growth and spectral-luminescent study of SrMoO4 crystals doped with Tm3+ ions

NASA Astrophysics Data System (ADS)

Dunaeva, E. E.; Zverev, P. G.; Doroshenko, M. E.; Nekhoroshikh, A. V.; Ivleva, L. I.; Osiko, V. V.

2016-03-01

SrMoO4 crystals doped with Tm3+ ions have been produced from a melt using the Czochralski method; their spectral-luminescent characteristics have been studied, and laser radiation has been generated at the wavelength of 1.94 μm using laser-diode excitation. The high absorption section at the wavelength of 795 nm, the fairly high luminescence section, the long lifetime at the upper laser level 3F4 of 1.5 ms, and a wide luminescence band allow one to hope for developing efficient tunable Tm3+: SrMoO4 crystal lasers with diode pumping in the range of 1.7-2.0 μm, which are capable of implementing SRS self-transformation of radiation into the middle IR band.

Characterizing cosmochemical materials with genetic affinities to the Earth: Genetic and chronological diversity within the IAB iron meteorite complex

NASA Astrophysics Data System (ADS)

Worsham, Emily A.; Bermingham, Katherine R.; Walker, Richard J.

2017-06-01

The IAB iron meteorite complex consists of a main group (MG) and five chemical subgroups (sLL, sLM, sLH, sHL, and sHH). Here, mass-independent Mo and radiogenic 182W isotope compositions are reported for IAB complex meteorites to evaluate the genetics and chronology, respectively, of the MG and subgroups. Osmium isotopes are used to correct for cosmic ray exposure effects on isotopes of Mo and W. The MG and three subgroups (i.e., sLL, sLM, and sLH), characterized by low Au abundances, have the same Mo isotopic compositions within analytical uncertainty, consistent with a common genetic origin. These meteorites, together with winonaites, are the only cosmochemical materials yet identified with Mo isotopic compositions that are identical to Earth. The Mo isotopic compositions of two subgroups characterized by higher Au abundances (sHL and sHH) are identical to one another within uncertainty, but differ from the low Au subgroups, indicating derivation from genetically distinct materials. The MG has a 182W, post calcium-aluminum inclusion (CAI) formation model age of 3.4 ± 0.7 Ma. One of the low Au subgroups (sLM) is ∼1.7 Ma younger, whereas the high Au subgroups are ∼1.5-3 Ma older. The new Mo-W data, coupled with chemical data, indicate that the MG and the low Au subgroups formed in different impact-generated melts, some of which evidently formed on a chemically disparate, but genetically identical parent body. The high Au subgroups likely formed via core-formation processes on separate, internally-heated parent bodies from other IAB subgroups. The IAB complex meteorites fall on a linear trend defined by 94Mo/96Mo vs. 95Mo/96Mo, along with most other iron meteorite groups. Variation along this line was caused by mixing between at least two nebular components. One component was likely a pure s-process enriched nucleosynthetic carrier, and the other a homogenized nebular component. Sombrerete, currently classified as an sHL iron, has a Mo isotopic composition that is distinct from all IAB complex meteorites analyzed here. Along with group IVB iron meteorites and some ungrouped iron meteorites, it falls on a separate line from other meteorites which may reflect addition of an r-process-enriched component, and it should no longer be classified as a IAB iron.

Evaluation of directionally solidified eutectic superalloys for turbine blade applications

NASA Technical Reports Server (NTRS)

Henry, M. E.; Jackson, M. R.; Walter, J. L.

1978-01-01

Alloys from the following systems were selected for property evaluation: (1) gamma/gamma-Mo (Ni-base, rods of Mo); (2) gamma-beta (Ni-base, lamellae or rods of (Ni, Fe/Co Al); and (3) gamma-gamma (Ni-base rods of Ni3Al gamma). The three alloys were subjected to longitudinal and transverse tensile and rupture tests from 750 C to 1100 C, longitudinal shear strength was measured at several temperatures, resistance to thermal cycling to 1150 C was determined, cyclic oxidation resistance was evaluated at 750 C and 1100 C, and each system was directionally solidified in an alumina shell mold turbine shape to evaluate mold/metal reactivity. The gamma/gamma Mo system has good rupture resistance, transverse properties and processability, and is a high potential system for turbine blades. The gamma-beta system has good physical properties and oxidation resistance, and is a potential system for turbine vanes. The gamma-gamma system has good high temperature rupture resistance and requires further exploratory research.

Assessment of heavy metal contamination in intertidal gastropod and bivalve shells from central Arabian Gulf coastline, Saudi Arabia

NASA Astrophysics Data System (ADS)

El-Sorogy, Abdelbaset S.; Youssef, Mohamed

2015-11-01

In order to assess pollutants and impact of environmental changes along the Saudi Arabian Gulf coast, forty specimens of gastropod and bivalve shells belonging to Diodora funiculata, Lunella coronata, Cerithium caeruleum, Barbatia parva, Pinctada margaritifera, Amiantis umbonella, Acrosterigma assimile and Asaphis violascens from five localities are selected for Fe, Cu, Pb, Mn, Cd, Se, As, Co, B, Cr, Hg, Mo analysis. The analysis indicated that heavy metal values (except Fe) were less than those recorded in molluscan shells from Gulf of Oman, Red Sea and Indian Ocean. D. funiculate, L. coronata, B. parva and P. margaritifera are good accumulators of Cu, As, Cr. The other species gave a nearly constant concentration in all the studied areas. Al Jubail coast recorded the highest heavy metal concentrations (except Mn at Ras Al-Ghar and Se at Al Jubail industrial city). Heavy metal contamination is mostly attributed to anthropogenic sources, especially effluents from petrochemical industries, sewage and desalination plants.

Highly efficient one-step synthesis of carbon encapsulated nanocrystals by the oxidation of metal π-complexes

NASA Astrophysics Data System (ADS)

Liu, Boyang; Shao, Yingfeng; Xiang, Xin; Zhang, Fuhua; Yan, Shengchang; Li, Wenge

2017-08-01

Various carbon encapsulated nanocrystals, including MnS and MnO, Cr2O3, MoO2, Fe7S8 and Fe3O4, and ZrO2, are prepared in one step and in situ by a simple and highly efficient synthesis approach. The nanocrystals have an equiaxed morphology and a median size smaller than 30 nm. Tens and hundreds of these nanocrystals are entirely encapsulated by a wormlike amorphous carbon shell. The formation of a core-shell structure depends on the strongly exothermic reaction of metal π-complexes with ammonium persulfate in an autoclave at below 200 °C. During the oxidation process, the generated significant amounts of heat will destroy the molecular structure of the metal π-complex and cleave the ligands into small carbon fragments, which further transform into an amorphous carbon shell. The central metal atoms are oxidized to metal oxide/sulfide nanocrystals. The formation of a core-shell structure is independent of the numbers of ligands and carbon atoms as well as the metal types, implying that any metal π-complex can serve as a precursor and that various carbon encapsulated nanocrystals can be synthesized by this method.

Dry-air-stable lithium silicide-lithium oxide core-shell nanoparticles as high-capacity prelithiation reagents.

PubMed

Zhao, Jie; Lu, Zhenda; Liu, Nian; Lee, Hyun-Wook; McDowell, Matthew T; Cui, Yi

2014-10-03

Rapid progress has been made in realizing battery electrode materials with high capacity and long-term cyclability in the past decade. However, low first-cycle Coulombic efficiency as a result of the formation of a solid electrolyte interphase and Li trapping at the anodes, remains unresolved. Here we report LixSi-Li2O core-shell nanoparticles as an excellent prelithiation reagent with high specific capacity to compensate the first-cycle capacity loss. These nanoparticles are produced via a one-step thermal alloying process. LixSi-Li2O core-shell nanoparticles are processible in a slurry and exhibit high capacity under dry-air conditions with the protection of a Li2O passivation shell, indicating that these nanoparticles are potentially compatible with industrial battery fabrication processes. Both Si and graphite anodes are successfully prelithiated with these nanoparticles to achieve high first-cycle Coulombic efficiencies of 94% to >100%. The LixSi-Li2O core-shell nanoparticles enable the practical implementation of high-performance electrode materials in lithium-ion batteries.

Green synthesis of Pd nanoparticles at Apricot kernel shell substrate using Salvia hydrangea extract: Catalytic activity for reduction of organic dyes.

PubMed

Khodadadi, Bahar; Bordbar, Maryam; Nasrollahzadeh, Mahmoud

2017-03-15

For the first time the extract of the plant of Salvia hydrangea was used to green synthesis of Pd nanoparticles (NPs) supported on Apricot kernel shell as an environmentally benign support. The Pd NPs/Apricot kernel shell as an effective catalyst was prepared through reduction of Pd 2+ ions using Salvia hydrangea extract as the reducing and capping agent and Pd NPs immobilization on Apricot kernel shell surface in the absence of any stabilizer or surfactant. According to FT-IR analysis, the hydroxyl groups of phenolics in Salvia hydrangea extract as bioreductant agents are directly responsible for the reduction of Pd 2+ ions and formation of Pd NPs. The as-prepared catalyst was characterized by Fourier transform infrared (FT-IR) and UV-Vis spectroscopy, field emission scanning electron microscopy (FESEM) equipped with an energy dispersive X-ray spectroscopy (EDS), Elemental mapping, X-ray diffraction analysis (XRD) and transmittance electron microscopy (TEM). The synthesized catalyst was used in the reduction of 4-nitrophenol (4-NP), Methyl Orange (MO), Methylene Blue (MB), Rhodamine B (RhB), and Congo Red (CR) at room temperature. The Pd NPs/Apricot kernel shell showed excellent catalytic activity in the reduction of these organic dyes. In addition, it was found that Pd NPs/Apricot kernel shell can be recovered and reused several times without significant loss of catalytic activity. Copyright © 2016 Elsevier Inc. All rights reserved.

Ultra-thin MoS₂ coated Ag@Si nanosphere arrays as efficient and stable photocathode for solar-driven hydrogen production.

PubMed

Zhou, Qingwei; Su, Shaoqiang; Hu, Die; Lin, Lin; Yan, Zhibo; Gao, Xingsen; Zhang, Zhang; Liu, Junming

2018-01-02

Solar-driven photoelectrochemical (PEC) water splitting has recently attracted much attention. Silicon (Si) is an ideal light absorber for solar energy conversion. However, the poor stability and inefficient surface catalysis of Si photocathode for hydrogen evolution reaction (HER) have been remained as the key challenges. Alternatively, MoS2 has been reported to exhibit the excellent catalysis performance if sufficient active sites for the HER are available. Here, ultra-thin MoS2 nanoflakes are directly synthesized to coat on the arrays of Ag-core Si-shell nanospheres (Ag@Si NSs) using the chemical vapor deposition (CVD). Due to the high surface area ratio and large curvature of these NSs, the as-grown MoS2 nanoflakes can accommodate more active sites. Meanwhile, the high-quality coating of MoS2 nanoflakes on the Ag@Si NSs protects the photocathode from damage during the PEC reaction. A high efficiency with a photocurrent of 33.3 mA cm-2 at a voltage of -0.4 V vs. the reversible hydrogen electrode is obtained. The as-prepared nanostructure as hydrogen photocathode is evidenced to have high stability over 12 hour PEC performance. This work opens opportunities for composite photocathode with high activity and stability using cheap and stable co-catalysts. © 2017 IOP Publishing Ltd.

Lag periods during the self-assembly of {Mo(72)Fe(30)} macroions: connection to the virus capsid formation process.

PubMed

Zhang, Jie; Li, Dong; Liu, Guang; Glover, Kerney Jebrell; Liu, Tianbo

2009-10-28

The kinetic properties of the self-assembly of hydrophilic Keplerate-type polyoxometalate (POM) {Mo(72)Fe(30)} macroanions into single-layer, vesicle-like blackberry structures in solutions were monitored by the static and dynamic laser light scattering techniques. In the presence of additional electrolytes, an obvious lag period at the initial stage of self-assembly was observed, followed by a fast increase of the scattered intensity. The whole kinetic curve is sigmoidal with a lag phase. A two-step nucleation-growth mechanism is proposed to explain this lag phase: the {Mo(72)Fe(30)} macroanions slowly associate into oligomers (mostly dimers), which are the thermodynamically unfavorable intermediates, at the initial stage; once the oligomers reach a critical concentration, the blackberry formation process is accelerated. Analytical ultracentrifugation (AUC) was used to confirm the oligomeric state in {Mo(72)Fe(30)} solution during the lag period. The length of the lag period is dependent on temperature, ionic strength, and the valent states of the additional salts, as well as the solvent content. The kinetics (including the lag period) of the blackberry formation of the {Mo(72)Fe(30)} macroanions show similarities to the self-assembly of virus capsid proteins (which are also soluble macroions) into spherical capsid shells, suggesting possible connections between the self-assembly behaviors of inorganic species and biological macromolecules.

Multiples of Median-Transformed, Normalized Reference Ranges of Steroid Profiling Data Independent of Age, Sex, and Units.

PubMed

Zalas, Dominika; Reinehr, Thomas; Niedziela, Marek; Borzikowsky, Christoph; Flader, Maciej; Simic-Schleicher, Gunter; Akkurt, Halit Ilker; Heger, Sabine; Hornig, Nadine; Holterhus, Paul-Martin; Kulle, Alexandra E

2018-01-01

The high complexity of pediatric reference ranges across age, sex, and units impairs clinical application and comparability of steroid hormone data, e.g., in congenital adrenal hyperplasia (CAH). We developed a multiples-of-median (MoM) normalization tool to overcome this major drawback in pediatric endocrinology. Liquid chromatography tandem mass spectrometry data comprising 10 steroid hormones representing 905 controls (555 males, 350 females, 0 to > 16 years) from 2 previous datasets were MoM transformed across age and sex. Twenty-three genetically proven CAH patients were included (21-hydroxylase deficiency [21OHD], n = 19; 11β-hydroxylase deficiency [11OHD], n = 4). MoM cutoffs for single steroids predicting 21OHD and 11OHD were computed and validated through new, independent patients (21OHD, n = 8; adrenal cortical carcinoma, n = 6; obesity, n = 40). 21OHD and 11OHD patients showed disease-typical, easily recognizable MoM patterns independent of age, sex, and concentration units. Two single-steroid cutoffs indicated 21OHD: 3.87 MoM for 17-hydroxyprogesterone (100% sensitivity and 98.83% specificity) and 12.28 MoM for 21-deoxycortisol (94.74% sensitivity and 100% specificity). A cutoff of 13.18 MoM for 11-deoxycortisol indicated 11OHD (100% sensitivity and 100% specificity). Age- and sex-independent MoMs are straightforward for a clinically relevant display of multi-steroid patterns. In addition, defined single-steroid MoMs can serve alone as predictors of 21OHD and 11OHD. Finally, MoM transformation offers substantial enhancement of routine and scientific steroid hormone data exchange due to improved comparability. © 2018 S. Karger AG, Basel.

The detection of basal cell determinants in human basal cell carcinomas using two different monoclonal antibodies.

PubMed

Habets, J M; Tank, B; Vuzevski, V D; van Reede, E C; Stolz, E; van Joost, T

1987-01-01

This report deals with the reaction pattern(s) of two monoclonal antibodies (MoAbs) with normal skin and basal cell carcinomas (BCC). Using indirect immunoperoxidase (IIP) and indirect immunofluorescence (IIF) techniques, MoAb 12 G7 was observed to react with a determinant related to the cell membrane of the epidermal basal cells. In the IIP technique MoAb 12 G7 showed a positive reaction with 32 out of 34 BCC (94%), while in IIF all the 14 BCC that were studied were positive. In most cases only the cells at the periphery of the tumour nests were stained. MoAb 253 B7 reacted with cytoplasmic determinant(s) of the epidermal basal cells both in the IIF as well as in the IIP techniques. Using the IIP technique only 5 out of 34 BCC (15%) showed a positive reaction with this MoAb. Four of the 5 positively staining tumours showed aggressive histological features. Using IIF technique only 2 out of 14 BCC were positive. The results presented in this communication are discussed with regard to the possible expression of selective differentiation and tumor-associated determinant(s) in BCC.

The Prehistory of the Proposed Clayton Lake Area, Southeast Oklahoma. Phase I Investigations.

DTIC Science & Technology

1979-01-01

TEETH (01-00) 01-01A ( 1 ’• ..:! 1 Table 94 8. Continued SHELL (02-00) Molluscs (02-01) 02-01A Gastropods (02-02) 02-02A Floral (09...02A N=l A fossilized gastropod was recovered from the upper 20 cm of the deposit. Historic Debris (07) GLASS (01-00) 07-01-01A N=l This clear...02-01A N=l This freshwater mussel shell fragment (.01 g) is unburned and occurs at a depth of 20-30 cm. Gastropods (08-02-02) 08-02-02A N=15

Gamma Strength Functions and Level Densities from 300 MeV Proton Scatttering at 0°

NASA Astrophysics Data System (ADS)

von Neumann-Cosel, Peter; Bassauer, Sergej; Martin, Dirk

The gamma strength function (GSF) as well as total level densities (LDs) in 208Pb and 96Mo were extracted from high-resolution forward angle inelastic proton scattering data taken at RCNP, Osaka, Japan, and compared to experimental results obtained with the Oslo method in order to test the validity of the Brink-Axel (BA) hypothesis in the energy region of the pygmy dipole resonance. The case of 208Pb is inconclusive because of strong fluctuations of the GSF due to the small level density in a doubly closed-shell nucleus. In 96Mo the data are consistent with the BA hypothesis. The good agreement of LDs provides an independent confirmation of the approach underlying the decomposition of GSF and LDs in Oslo-type experiments.

Organic Dye Degradation Under Solar Irradiation by Hydrothermally Synthesized ZnS Nanospheres

NASA Astrophysics Data System (ADS)

Samanta, Dhrubajyoti; Chanu, T. Inakhunbi; Basnet, Parita; Chatterjee, Somenath

2018-02-01

The green synthesis of ZnS nanospheres using Citrus limetta (sweet lime) juice as a capping agent through a conventional hydrothermal method was studied. The particle size, morphology, chemical composition, band gap, and optical properties of the synthesized ZnS nanospheres were characterized using x-ray diffraction spectroscopy, field emission scanning electron microscopy, high-resolution transmission electron microscopy, and ultraviolet-visible spectroscopy. The photocatalytic activity of the ZnS nanospheres was evaluated by degradation of rhodamine B (RhB) and methyl orange (MO) under solar irradiation. Upon 150 min of solar irradiation, the extent of degradation was 94% and 77% for RhB and MO, respectively.

Trace elements in shells of common gastropods in the near vicinity of a natural CO2 vent: no evidence of pH-dependent contamination

NASA Astrophysics Data System (ADS)

McClintock, J. B.; Amsler, C. D.; Amsler, M. O.; Duquette, A.; Angus, R. A.; Hall-Spencer, J. M.; Milazzo, M.

2014-04-01

There is concern that the use of natural volcanic CO2 vents as analogs for studies of the impacts of ocean acidification on marine organisms are biased due to physiochemical influences other than seawater pH alone. One issue that has been raised is whether potentially harmful trace elements in sediments that are rendered more soluble and labile in low pH environments are made more bioavailable, and sequestered in the local flora and fauna at harmful levels. In order to evaluate this hypothesis, we analyzed the concentrations of trace elements in shells (an established proxy for tissues) of four species of gastropods (two limpets, a topshell and a whelk) collected from three sites in Levante Bay, Vulcano Island. Each sampling site increased in distance from the primary CO2 vent and thus represented low, moderate, and ambient seawater pH conditions. Concentrations of As, Cd, Co, Cr, Hg, Mo, Ni, Pb, and V measured in shells using ICP-OES were below detection thresholds for all four gastropod species at all three sites. However, there were measurable concentrations of Sr, Mn, and U in the shells of the limpets Patella caerulea, P. rustica, and the snail Osilinus turbinatus, and similarly, Sr, Mn, U, and also Zn in the shells of the whelk Hexaplex trunculus. Levels of these elements were within the ranges measured in gastropod shells in non-polluted environments, and with the exception of U in the shells of P. caerulea, where the concentration was significantly lower at the collecting site closest to the vent (low pH site), there were no site-specific spatial differences in concentrations for any of the trace elements in shells. Thus trace element enhancement in sediments in low-pH environments was not reflected in greater bioaccumulations of potentially harmful elements in the shells of common gastropods.

Na2Ti6O13@TiO2 core-shell nanorods with controllable mesoporous shells and their enhanced photocatalytic performance

NASA Astrophysics Data System (ADS)

Zhou, Xuefan; Zhong, Donglin; Luo, Hang; Pan, Jun; Zhang, Dou

2018-01-01

In this study, dispersive and free-standing Na2Ti6O13 nanorods with diameter of about 500 nm and length of about 10 μm were synthesized by the molten salt method. The Na2Ti6O13@TiO2 (denoted as TTO) core-shell nanorods were fabricated by a versatile kinetics controlled coating method. The TiO2 shells were uniform and mesoporous with exposed {101} facets. The thickness of TiO2 shells can be well controlled by the content of Ti(OC4H9)4, ranging from 0 nm, 15 nm, 60 nm to 70 nm corresponding to Na2Ti6O13, 0.25-TTO, 0.50-TTO and 0.75-TTO nanorods respectively. The crystalline phases, microstructure, porosity, photoabsorption and photocatalytic performance of all the samples were investigated systematically. The nanoscale heterojunction structure between Na2Ti6O13 and TiO2, reductive TiO2 {101} facets and high aspect ratio Na2Ti6O13 nanorods resulted in the enhanced photocatalytic performance of TTO nanorods. The optimized thickness of TiO2 shells were about 60 nm for 0.50-TTO nanorods, which possessed superior BET surface area, optical absorption and photocatalytic performance.

Highly efficient hydrogen evolution based on Ni3S4@MoS2 hybrids supported on N-doped reduced graphene oxide

NASA Astrophysics Data System (ADS)

Xu, Xiaobing; Zhong, Wei; Wu, Liqian; Sun, Yuan; Wang, Tingting; Wang, Yuanqi; Du, Youwei

2018-01-01

Hydrogen evolution reaction (HER) through water splitting at low overpotential is an appealing technology to produce renewable energy, wherein the design of stable electrocatalysts is very critical. To achieve optimal electrochemical performance, a highly efficient and stable noble-metal-free HER catalyst is synthesized by means of a facile hydrothermal co-synthesis. It consists of Ni3S4 nanosheets and MoS2 nanolayers supported on N-doped reduced graphene oxide (Ni3S4/MoS2@N-rGO). The optimized sample provides a large amount of active sites that benefit electron transfer in 3D conductive networks. Thanks to the strong synergistic effect in the catalyst network, we achieved a low overpotential of 94 mV, a small Tafel slope of 56 mV/dec and remarkable durability in an acidic medium.

Facile fabrication of novel BiVO4/Bi2S3/MoS2 n-p heterojunction with enhanced photocatalytic activities towards pollutant degradation under natural sunlight.

PubMed

Wang, Jingzhen; Jin, Jia; Wang, Xiangguo; Yang, Shengnan; Zhao, Yinlan; Wu, Yawen; Dong, Shuying; Sun, Jingyu; Sun, Jianhui

2017-11-01

The novel three-component BiVO 4 /Bi 2 S 3 /MoS 2 heterojunction was successfully fabricated through a facile in-situ hydrothermal method based on the formation of the intermediate Bi 2 S 3 by coupling BiVO 4 and MoS 2 precursor. The Bi 2 S 3 was easily formed attributing to the strong interaction between Bi 3+ and S 2- ions with the aid of the hydrothermal reaction. The photocatalytic performances of samples were systematically investigated via the photocatalytic degradation of Rhodamine B (RhB), methylene blue (MB) and malachite green (MG) under solar light irradiation. As a result, the photocatalytic degradation rate of BM-10 for RhB, MB and MG are 97%, 93% and 94%, respectively. The enhanced photocatalytic activities could be due to the suppression of charge recombination and the enhanced the visible light absorption of BiVO 4 /Bi 2 S 3 /MoS 2 heterojunction. Copyright © 2017 Elsevier Inc. All rights reserved.

Technical skills rotation for general surgery residents.

PubMed

Gonzalez, Ray I; Martinez, Jose M; Iglesias, Alberto R; Lo Menzo, Emanuele; Hutson, Duane; Sleeman, Danny; Livingstone, Alan S; Madan, Atul K

2010-06-15

Technical skills are an important part of any general surgery residency curriculum. With the demands of limited work weeks, it is imperative that educators create novel methods of teaching technical skills to their residents. Our program utilizes a dedicated month to help accomplish this. This study hypothesized that general surgery residents would report a positive effect of a dedicated technical skills rotation. Residents who had undergone a 1 mo rotation in technical skills during their first year were asked to fill out a survey concerning their experience. During the 1-mo rotation, the residents had almost no clinical responsibilities. Teaching of technical skills was performed with various activities, including video content (VC), virtual reality simulators (VR), open foam procedures (OF), laparoscopic box trainers (BT), surgical equipment in-service (SE), and animate sessions (AS). Responses were given on a Likert scale (1-10) with higher numbers being more positive responses. There were seven residents in this study. The residents gave a very positive response to the overall rotation (9.4) and exposure to laparoscopic procedures (9.6). The other responses were enthusiastic as well: exposure to open procedures (8.9) and preparation for operative room (9.4). After their rotation, the residents were comfortable performing a laparoscopic cholecystectomy (9.2), a hand-sewn anastomosis (8.7), and a stapled anastomosis (9.4). The residents found theses activities helpful in increasing order: VC (7.8), VR (8.0), BT (9.0), ES (9.7), OF (9.8), and AS (9.8). A 1-mo dedicated technical skills rotations was perceived to be extremely positive by the residents. The residents felt very comfortable performing a laparoscopic cholecystectomy, a hand-sewn anastomosis, and a stapled anastomosis. With the 80-h work week, alternatives to learning technical skills in the operating room are essential. Further studies need to be performed to determine if this rotation aids in accomplishing this goal. Copyright 2010. Published by Elsevier Inc.

Bell-Plesset effects in Rayleigh-Taylor instability of finite-thickness spherical and cylindrical shells

NASA Astrophysics Data System (ADS)

Velikovich, A. L.; Schmit, P. F.

2015-11-01

Bell-Plesset effects accounting for the time dependence of the radius, velocity and acceleration of the Rayleigh-Taylor-unstable surface are ubiquitous in the instability of spherical laser targets and magnetically driven cylindrical liners. We present an analytical model that, for an ideal incompressible fluid and small perturbation amplitudes, exactly accounts for the Bell-Plesset effects in finite-thickness targets and liners through acceleration and deceleration phases. We derive the time-dependent dispersion equations determining the ``instantaneous growth rate'' and demonstrate that by integrating this growth rate over time (the WKB approximation) we accurately evaluate the number of perturbation e-foldings during the acceleration phase. In the limit of the small target/liner thickness, we obtain the exact thin-shell perturbation equations and approximate thin-shell dispersion relations, generalizing the earlier results of Harris (1962), Ott (1972) and Bud'ko et al. (1989). This research was supported by the US DOE/NNSA (A.L.V.), and in part by appointment to the Sandia National Laboratories Truman Fellowship in National Security Science and Engineering (P.F.S.), which is part of the Laboratory Directed Research and Development (LDRD) Program, Project No. 165746, and sponsored by Sandia Corporation (a wholly owned subsidiary of Lockheed Martin Corporation) as Operator of Sandia National Laboratories under its U.S. Department of Energy Contract No. DE-AC04-94AL85000.

Experimentally constrained ( p , γ ) Y 89 and ( n , γ ) Y 89 reaction rates relevant to p -process nucleosynthesis

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

Larsen, A. C.; Guttormsen, M.; Schwengner, R.

The nuclear level density and the g-ray strength function have been extracted for 89Y, using the Oslo Method on 89Y(p,p'γ) 89Y coincidence data. The g-ray strength function displays a low-energy enhancement consistent with previous observations in this mass region ( 93-98Mo). Shell-model calculations give support that the observed enhancement is due to strong, low-energy M1 transitions at high excitation energies. The data were further used as input for calculations of the 88Sr(p,γ) 89Y and 88Y(n,γ) 89Y cross sections with the TALYS reaction code. Lastly, comparison with cross-section data, where available, as well as with values from the BRUSLIB library, showsmore » a satisfying agreement.« less

Experimentally constrained ( p , γ ) Y 89 and ( n , γ ) Y 89 reaction rates relevant to p -process nucleosynthesis

DOE PAGES

Larsen, A. C.; Guttormsen, M.; Schwengner, R.; ...

2016-04-21

The nuclear level density and the g-ray strength function have been extracted for 89Y, using the Oslo Method on 89Y(p,p'γ) 89Y coincidence data. The g-ray strength function displays a low-energy enhancement consistent with previous observations in this mass region ( 93-98Mo). Shell-model calculations give support that the observed enhancement is due to strong, low-energy M1 transitions at high excitation energies. The data were further used as input for calculations of the 88Sr(p,γ) 89Y and 88Y(n,γ) 89Y cross sections with the TALYS reaction code. Lastly, comparison with cross-section data, where available, as well as with values from the BRUSLIB library, showsmore » a satisfying agreement.« less

Observation of a new high-spin isomer in {sup 94}Pd

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

Brock, T. S.; Nara Singh, B. S.; Wadsworth, R.

2010-12-15

A second {gamma}-decaying high-spin isomeric state, with a half-life of 197(22)ns, has been identified in the N=Z+2 nuclide {sup 94}Pd as part of a stopped-beam Rare Isotope Spectroscopic INvestigation at GSI (RISING) experiment. Weisskopf estimates were used to establish a tentative spin/parity of 19{sup -}, corresponding to the maximum possible spin of a negative parity state in the restricted (p{sub 1/2}, g{sub 9/2}) model space of empirical shell model calculations. The reproduction of the E3 decay properties of the isomer required an extension of the model space to include the f{sub 5/2} and p{sub 3/2} orbitals using the CD-Bonn potential.more » This is the first time that such an extension has been required for a high-spin isomer in the vicinity of {sup 100}Sn and reveals the importance of such orbits for understanding the decay properties of high-spin isomers in this region. However, despite the need for the extended model space for the E3 decay, the dominant configuration for the 19{sup -} state remains ({pi}p{sub 1/2}{sup -1}g{sub 9/2}{sup -3}){sub 11} x ({nu}g{sub 9/2}{sup -2}){sub 8}. The half-life of the known, 14{sup +}, isomer was remeasured and yielded a value of 499(13) ns.« less

Atom by atom: HRTEM insights into inorganic nanotubes and fullerene-like structures

PubMed Central

Sadan, Maya Bar; Houben, Lothar; Enyashin, Andrey N.; Seifert, Gotthard; Tenne, Reshef

2008-01-01

The characterization of nanostructures down to the atomic scale is essential to understand some physical properties. Such a characterization is possible today using direct imaging methods such as aberration-corrected high-resolution transmission electron microscopy (HRTEM), when iteratively backed by advanced modeling produced by theoretical structure calculations and image calculations. Aberration-corrected HRTEM is therefore extremely useful for investigating low-dimensional structures, such as inorganic fullerene-like particles and inorganic nanotubes. The atomic arrangement in these nanostructures can lead to new insights into the growth mechanism or physical properties, where imminent commercial applications are unfolding. This article will focus on two structures that are symmetric and reproducible. The first structure that will be dealt with is the smallest stable symmetric closed-cage structure in the inorganic system, a MoS2 nanooctahedron. It is investigated by means of aberration-corrected microscopy which allowed validating the suggested DFTB-MD model. It will be shown that structures diverging from the energetically most stable structures are present in the laser ablated soot and that the alignment of the different shells is parallel, unlike the bulk material where the alignment is antiparallel. These findings correspond well with the high-energy synthetic route and they provide more insight into the growth mechanism. The second structure studied is WS2 nanotubes, which have already been shown to have a unique structure with very desirable mechanical properties. The joint HRTEM study combined with modeling reveals new information regarding the chirality of the different shells and provides a better understanding of their growth mechanism. PMID:18838681

Atom by atom: HRTEM insights into inorganic nanotubes and fullerene-like structures.

PubMed

Bar Sadan, Maya; Houben, Lothar; Enyashin, Andrey N; Seifert, Gotthard; Tenne, Reshef

2008-10-14

The characterization of nanostructures down to the atomic scale is essential to understand some physical properties. Such a characterization is possible today using direct imaging methods such as aberration-corrected high-resolution transmission electron microscopy (HRTEM), when iteratively backed by advanced modeling produced by theoretical structure calculations and image calculations. Aberration-corrected HRTEM is therefore extremely useful for investigating low-dimensional structures, such as inorganic fullerene-like particles and inorganic nanotubes. The atomic arrangement in these nanostructures can lead to new insights into the growth mechanism or physical properties, where imminent commercial applications are unfolding. This article will focus on two structures that are symmetric and reproducible. The first structure that will be dealt with is the smallest stable symmetric closed-cage structure in the inorganic system, a MoS(2) nanooctahedron. It is investigated by means of aberration-corrected microscopy which allowed validating the suggested DFTB-MD model. It will be shown that structures diverging from the energetically most stable structures are present in the laser ablated soot and that the alignment of the different shells is parallel, unlike the bulk material where the alignment is antiparallel. These findings correspond well with the high-energy synthetic route and they provide more insight into the growth mechanism. The second structure studied is WS(2) nanotubes, which have already been shown to have a unique structure with very desirable mechanical properties. The joint HRTEM study combined with modeling reveals new information regarding the chirality of the different shells and provides a better understanding of their growth mechanism.

Synthesis and electrochemical characterizations of spinel LiMn1.94MO4 (M = Mn0.06, Mg0.06, Si0.06, (Mg0.03Si0.03)) compounds as cathode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Zhao, Hongyuan; Liu, Xingquan; Cheng, Cai; Li, Qiang; Zhang, Zheng; Wu, Yue; Chen, Bing; Xiong, Weiqiang

2015-05-01

The spinel LiMn1.94MO4 (M = Mn0.06, Mg0.06, Si0.06, (Mg0.03Si0.03)) compounds are successfully synthesized by citric acid-assisted sol-gel method. The crystal structures and morphologies of synthesized compounds are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), respectively. All the compounds possess the cubic spinel structure of LiMn2O4 with space group of Fd-3m. The electrochemical properties of synthesized compounds are investigated by galvanostatic charge-discharge test, cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The results show that the Si-doping can increase the discharge capacity of LiMn2O4 due to the more expanded and regular MnO6 octahedra. In particular, for the LiMn1.94Mg0.03Si0.03O4 compound, the addition of Si4+ ions can make up for the shortage of Mg-doping in term of the discharge capacity. As a result, the Mg2+ and Si4+ co-doping has the effect of synergistic enhancement, which can make full use of the respective advantages of Mg-doping and Si-doping. The optimal LiMn1.94Mg0.03Si0.03O4 can deliver the initial discharge capacity of 128.3 mAh g-1 with good capacity retention of 92.8% after 100 cycles at 0.5 C in the voltage range of 3.20-4.35 V. Compared with the undoped LiMn2O4, the co-doped compound also presents superior rate performance, especially the capacity recovery performance.

Rational Design of Hierarchical Nanotubes through Encapsulating CoSe2 Nanoparticles into MoSe2/C Composite Shells with Enhanced Lithium and Sodium Storage Performance.

PubMed

Gao, Jingyu; Li, Yapeng; Shi, Liang; Li, Jingjing; Zhang, Genqiang

2018-06-20

Transition-metal diselenides have been extensively studied as desirable anode candidates for both lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) because of their high theoretical capacities. However, it is of great challenge to achieve satisfactory cycling performance, especially for larger sodium ion storage, originated from electrode deterioration upon large volume change. Herein, we reported the construction of hierarchical tubular hybrid nanostructures through encapsulating CoSe 2 nanoparticles into MoSe 2 /C composite shells via a simple two-step strategy including a hydrothermal method followed by vapor-phase selenization process. The unique tubular structure enables the highly reversible Li/Na storage with high specific capacity, enhanced cycling stability, and superior rate performance. It is indicated that the contribution of partial pseudocapacitive behavior greatly improves the rate capability for SIBs, where a high capacity retention of 81.5% can be obtained when the current densities range from 0.1 to 3 A g -1 (460 mA h g -1 at 0.1 A g -1 vs 379 mA h g -1 at 3 A g -1 ). This work provides an effective design rationale on transition-metal diselenide-based tubular nanostructures as superior hosts for both Li and Na ions, which could push forward the development of practical applications of transition-metal diselenide-based anodes in LIBs and SIBs.

Energy dependence and angular dependence of an optically stimulated luminescence dosimeter in the mammography energy range.

PubMed

Kawaguchi, Ai; Matsunaga, Yuta; Suzuki, Shoichi; Chida, Koichi

2017-03-01

This study aimed to investigate the energy dependence and the angular dependence of commercially available optically stimulated luminescence (OSL) point dosimeters in the mammography energy range. The energy dependence was evaluated to calculate calibration factors (CFs). The half-value layer range was 0.31-0.60 mmAl (Mo/Mo 22-28 kV, Mo/Rh 28-32 kV, and W/Rh 30-34 kV at 2-kV intervals). Mo/Rh 28 kV was the reference condition. Angular dependence was tested by rotating the X-ray tube from -90° to 90° in 30° increments, and signal counts from angled nanoDots were normalized to the 0° signal counts. Angular dependence was compared with three tube voltage and target/filter combinations (Mo/Mo 26 kV, Mo/Rh 28 kV and W/Rh 32 kV). The CFs of energy dependence were 0.94-1.06. In Mo/Mo 26-28 kV and Mo/Rh 28-32 kV, the range of CF was 0.99-1.01, which was very similar. For angular dependence, the most deteriorated normalized values (Mo/Mo, 0.37; Mo/Rh, 0.43; and W/Rh, 0.58) were observed when the X-ray tube was rotated at a 90° angle, compared to 0°. The most angular dependences of ± 30°, 60°, and 90° decreased by approximately 4%, 14%, and 63% respectively. The mean deteriorated measurement 30° intervals from 0° to ± 30° was 2%, from ± 30° to ± 60° was 8%, and from ± 60° to ± 90° was 40%. The range of energy dependence in typical mammography energy range was not as much as that in general radiography and computed tomography. For accurate measurement using nanoDot, the tilt needs to be under 30°. © 2017 The Authors. Journal of Applied Clinical Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

Nuclear structure studies of 141Ce and 147Sm using deep-inelastic collisions

NASA Astrophysics Data System (ADS)

Gass, E. J.; McCutchan, E. A.; Sonzogni, A. A.; Loveland, W.; Barrett, J. S.; Yanez, R.; Chiara, C. J.; Harker, J. L.; Walters, W. B.; Zhu, S.; Ayangeakaai, A. D.; Carpenter, M. P.; Greene, J. P.; Janssens, R. V. F.; Lauritsen, T.; Naïdja, H.

2017-09-01

Nuclei with a few valence nucleons outside of the magic numbers are essential for testing the nuclear shell model and gathering information on the residual interactions and energies of single-particle levels. The present work focused on the high-spin structures of 141Ce (N = 83) and 147Sm (N = 85). These nuclei are not produced by heavy-ion fusion-evaporation or fission reactions, therefore little was known about their high-spin structure. A deep-inelastic reaction using a beam of 136Xe incident on a thick target of 208Pb was used to populate excited states in the nuclei. The Gammasphere array at Argonne National Laboratory was used to detect the resulting de-excitation -ray transitions. The level schemes of both nuclei were significantly extended to high angular momentum and high excitation energy. In 141Ce, this included a number of states built on the i13/2, 1369-keV level. Results of the present analysis will be compared to state-of-the-art shell model calculations. Supported by US DOE under the SULI Program and Grant Nos. DE-FG06-97ER41026 and DE-FG02-94ER40834 and Contract Nos. DE-AC02-06CH11357 and DE-AC02-06CH10886.

Development Of Hard X-Ray Sources With High Radiative Power Output At The National Ignition Facility Utilizing Molybdenum and Silver Cavities

NASA Astrophysics Data System (ADS)

Widmann, Klaus; Benjamin, Russ; May, Mark; Thorn, Daniel; Colvin, Jeff; Barrios, Maria; Kemp, G. Elijah; Fournier, Kevin; Blue, Brent

2016-10-01

In our on-going x-ray source development campaign at the National Ignition Facility, we have recently extended the energy range of our laser-driven cavity sources to the 20 keV range by utilizing molybdenum-lined and silver-lined cavity targets. Using a variety of spectroscopic and power diagnostics we determined that almost 1% of the nearly 1 MJ total laser energy used for heating the cavity target was converted to Mo K-shell x rays using our standard cavity design. The same laser drive for silver-lined cavities yielded about 0.4% conversion efficiency for the Ag K-shell emission. Comparison with HYDRA simulations are used to further optimize the x-rays conversion efficiency. The simulations indicate that minor changes in the aspect ratio of the cavity and the layer thickness may double the radiative power of the K-shell emission. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

Prenatal Phthalates, Maternal Thyroid Function, and Risk of Attention-Deficit Hyperactivity Disorder in the Norwegian Mother and Child Cohort.

PubMed

Engel, Stephanie M; Villanger, Gro D; Nethery, Rachel C; Thomsen, Cathrine; Sakhi, Amrit K; Drover, Samantha S M; Hoppin, Jane A; Zeiner, Pal; Knudsen, Gun Peggy; Reichborn-Kjennerud, Ted; Herring, Amy H; Aase, Heidi

2018-05-10

There is growing concern that phthalate exposures may have an impact on child neurodevelopment. Prenatal exposure to phthalates has been linked with externalizing behaviors and executive functioning defects suggestive of an attention-deficit hyperactivity disorder (ADHD) phenotype. We undertook an investigation into whether prenatal exposure to phthalates was associated with clinically confirmed ADHD in a population-based nested case-control study of the Norwegian Mother and Child Cohort (MoBa) between the years 2003 and 2008. Phthalate metabolites were measured in maternal urine collected at midpregnancy. Cases of ADHD ( n =297) were obtained through linkage between MoBa and the Norwegian National Patient Registry. A random sample of controls ( n =553) from the MoBa population was obtained. In multivariable adjusted coexposure models, the sum of di-2-ethylhexyl phthalate metabolites (∑DEHP) was associated with a monotonically increasing risk of ADHD. Children of mothers in the highest quintile of had almost three times the odds of an ADHD diagnosis as those in the lowest [OR=2.99 (95% CI: 1.47, 5.49)]. When ∑DEHP was modeled as a log-linear (natural log) term, for each log-unit increase in exposure, the odds of ADHD increased by 47% [OR=1.47 (95% CI: 1.09, 1.94)]. We detected no significant modification by sex or mediation by prenatal maternal thyroid function or by preterm delivery. In this population-based case-control study of clinical ADHD, maternal urinary concentrations of DEHP were monotonically associated with increased risk of ADHD. Additional research is needed to evaluate potential mechanisms linking phthalates to ADHD. https://doi.org/10.1289/EHP2358.

The Antiaircraft Journal. Volume 94, Number 5, September-October 1951

DTIC Science & Technology

1951-10-01

used in direct support of advancing infantry. The mo- bility of the track and half-track vehicles permits them to move with the dough - boys and the...battery in action-to the coffee and cookies which were served during the county fair display which ended the first night’s session, the initial class

Luminescence and magnetic properties of novel nanoparticle-sheathed 3D Micro-Architectures of Fe0.5R0.5(MoO4)1.5:Ln3+ (R = Gd3+, La3+), (Ln = Eu, Tb, Dy) for bifunctional application

NASA Astrophysics Data System (ADS)

Krishnan, Rajagopalan; Thirumalai, Jagannathan; Kathiravan, Arunkumar

2015-01-01

For the first time, we report the successful synthesis of novel nanoparticle-sheathed bipyramid-like and almond-like Fe0.5R0.5(MoO4)1.5:Ln3+ (R = Gd3+, La3+), (Ln = Eu, Tb, Dy) 3D hierarchical microstructures through a simple disodium ethylenediaminetetraacetic acid (Na2EDTA) facilitated hydrothermal method. Interestingly, time-dependent experiments confirm that the assembly-disassembly process is responsible for the formation of self-aggregated 3D architectures via Ostwald ripening phenomena. The resultant products are characterized by x-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), high resolution transmission electron microscopy (HRTEM), photoluminescence (PL), and magnetic measurements. The growth and formation mechanisms of the self-assembled 3D micro structures are discussed in detail. To confirm the presence of all the elements in the microstructure, the energy loss induced by the K, L shell electron ionization is observed in order to map the Fe, Gd, Mo, O, and Eu components. The photo luminescence properties of Fe0.5R0.5(MoO4)1.5 doped with Eu3+, Tb3+, Dy3+ are investigated. The room temperature and low temperature magnetic properties suggest that the interaction between the local-fields introduced by the magnetic Fe3+ ions and the R3+ (La, Gd) ions in the dodecahedral sites determine the magnetism in Fe0.5R0.5(MoO4)1.5:Eu3+. This work provides a new approach to synthesizing the novel Fe0.5R0.5(MoO4)1.5:Ln3+ for bi-functional magnetic and luminescence applications.

Patch test reactivity to a cobalt-chromium-molybdenum alloy and stainless steel in metal-allergic patients in correlation to the metal ion release.

PubMed

Summer, Burkhard; Fink, Ulrich; Zeller, Richard; Rueff, Franziska; Maier, Sonja; Roider, Gabriele; Thomas, Peter

2007-07-01

Nickel, chromium, and cobalt released from stainless steel and CoCrMo alloys have been postulated to trigger hypersensitivity reactions. The objective of this study was to assess the ion release from a CoCrMo alloy and stainless steel in vitro and the cutaneous reactivity to it by patch test. 52 metal-allergic patients and 48 non-allergic controls were patch tested to stainless steel and CoCrMo discs. In addition, using atomic absorption spectrometry, the release of nickel, cobalt, and chromium from both materials was assessed upon 2-day exposure to distilled water, artificial sweat (AS), and cell culture medium. There was low nickel ion release from stainless steel (0.3-0.46 microg/cm(2)/2 days) and CoCrMo discs (up to 0.33 microg/cm(2)/2 days) into the different elution media. Chromium release from the 2 materials was also very low (0.06-0.38 microg/cm(2)/2 days from stainless steel and 0.52-1.36 microg/cm(2)/2 days from CoCrMo alloy). In contrast, AS led to abundant cobalt release (maximally 18.94 microg/cm(2)/2 days) from the CoCrMo discs, with concomitant eczematous reaction upon patch testing: 0 of the 52 metal-allergic patients reacted to stainless steel discs and 5 of the 52 patients to CoCrMo discs (all 5 patients were cobalt allergic and 3 also nickel and chromium allergic). None of the controls reacted to the discs. Apart from nickel being a focus of allergological research, our results point to the possibly underestimated association of cobalt release and potential hyperreactivity to CoCrMo alloy.

Gamma Irradiation of in-Shell and Blanched Peanuts Protects against Mycotoxic Fungi and Retains Their Nutraceutical Components during Long-Term Storage

PubMed Central

de Camargo, Adriano Costa; de Souza Vieira, Thais Maria Ferreira; Regitano-d’Arce, Marisa Aparecida Bismara; de Alencar, Severino Matias; Calori-Domingues, Maria Antonia; Spoto, Marta Helena Fillet; Canniatti-Brazaca, Solange Guidolin

2012-01-01

Peanut samples were irradiated (0.0, 5.2, 7.2 or 10.0 kGy), stored for a year (room temperature) and examined every three months. Mycotoxic fungi (MF) were detected in non-irradiated blanched peanuts. A dose of 5.2 kGy was found suitable to prevent MF growth in blanched samples. No MF was detected in in-shell peanuts, with or without irradiation. The colors of the control in-shell and blanched samples were, respectively, 44.72 and 60.21 (L *); 25.20 and 20.38 (Chroma); 53.05 and 86.46 (°Hue). The water activities (Aw) were 0.673 and 0.425. The corresponding fatty acids were 13.33% and 12.14% (C16:0), 44.94% and 44.92% (C18:1, ω9) and 37.10% and 37.63% (C18:2, ω6). The total phenolics (TP) were 4.62 and 2.52 mg GAE/g, with antioxidant activities (AA) of 16.97 and 10.36 μmol TEAC/g. Storage time negatively correlated with Aw (in-shell peanuts) or L *, linoleic acid, TP and AA (in-shell and blanched peanuts) but positively correlated with Aw (blanched peanuts), and with oleic acid (in-shell and blanched peanuts). Irradiation positively correlated with antioxidant activity (blanched peanuts). No correlation was found between irradiation and AA (in-shell samples) or fatty acids and TP (in-shell and blanched peanuts). Irradiation protected against MF and retained both the polyunsaturated fatty acids and polyphenols in the samples. PMID:23109830

A Bayesian network model for predicting aquatic toxicity mode ...

EPA Pesticide Factsheets

The mode of toxic action (MoA) has been recognized as a key determinant of chemical toxicity, but development of predictive MoA classification models in aquatic toxicology has been limited. We developed a Bayesian network model to classify aquatic toxicity MoA using a recently published dataset containing over one thousand chemicals with MoA assignments for aquatic animal toxicity. Two dimensional theoretical chemical descriptors were generated for each chemical using the Toxicity Estimation Software Tool. The model was developed through augmented Markov blanket discovery from the dataset of 1098 chemicals with the MoA broad classifications as a target node. From cross validation, the overall precision for the model was 80.2%. The best precision was for the AChEI MoA (93.5%) where 257 chemicals out of 275 were correctly classified. Model precision was poorest for the reactivity MoA (48.5%) where 48 out of 99 reactive chemicals were correctly classified. Narcosis represented the largest class within the MoA dataset and had a precision and reliability of 80.0%, reflecting the global precision across all of the MoAs. False negatives for narcosis most often fell into electron transport inhibition, neurotoxicity or reactivity MoAs. False negatives for all other MoAs were most often narcosis. A probabilistic sensitivity analysis was undertaken for each MoA to examine the sensitivity to individual and multiple descriptor findings. The results show that the Markov blank

Modeling complicated rheological behaviors in encapsulating shells of lipid-coated microbubbles accounting for nonlinear changes of both shell viscosity and elasticity

NASA Astrophysics Data System (ADS)

Li, Qian; Matula, Thomas J.; Tu, Juan; Guo, Xiasheng; Zhang, Dong

2013-02-01

It has been accepted that the dynamic responses of ultrasound contrast agent (UCA) microbubbles will be significantly affected by the encapsulating shell properties (e.g., shell elasticity and viscosity). In this work, a new model is proposed to describe the complicated rheological behaviors in an encapsulating shell of UCA microbubbles by applying the nonlinear ‘Cross law’ to the shell viscous term in the Marmottant model. The proposed new model was verified by fitting the dynamic responses of UCAs measured with either a high-speed optical imaging system or a light scattering system. The comparison results between the measured radius-time curves and the numerical simulations demonstrate that the ‘compression-only’ behavior of UCAs can be successfully simulated with the new model. Then, the shell elastic and viscous coefficients of SonoVue microbubbles were evaluated based on the new model simulations, and compared to the results obtained from some existing UCA models. The results confirm the capability of the current model for reducing the dependence of bubble shell parameters on the initial bubble radius, which indicates that the current model might be more comprehensive to describe the complex rheological nature (e.g., ‘shear-thinning’ and ‘strain-softening’) in encapsulating shells of UCA microbubbles by taking into account the nonlinear changes of both shell elasticity and shell viscosity.

Modeling complicated rheological behaviors in encapsulating shells of lipid-coated microbubbles accounting for nonlinear changes of both shell viscosity and elasticity.

PubMed

Li, Qian; Matula, Thomas J; Tu, Juan; Guo, Xiasheng; Zhang, Dong

2013-02-21

It has been accepted that the dynamic responses of ultrasound contrast agent (UCA) microbubbles will be significantly affected by the encapsulating shell properties (e.g., shell elasticity and viscosity). In this work, a new model is proposed to describe the complicated rheological behaviors in an encapsulating shell of UCA microbubbles by applying the nonlinear 'Cross law' to the shell viscous term in the Marmottant model. The proposed new model was verified by fitting the dynamic responses of UCAs measured with either a high-speed optical imaging system or a light scattering system. The comparison results between the measured radius-time curves and the numerical simulations demonstrate that the 'compression-only' behavior of UCAs can be successfully simulated with the new model. Then, the shell elastic and viscous coefficients of SonoVue microbubbles were evaluated based on the new model simulations, and compared to the results obtained from some existing UCA models. The results confirm the capability of the current model for reducing the dependence of bubble shell parameters on the initial bubble radius, which indicates that the current model might be more comprehensive to describe the complex rheological nature (e.g., 'shear-thinning' and 'strain-softening') in encapsulating shells of UCA microbubbles by taking into account the nonlinear changes of both shell elasticity and shell viscosity.

Spatial Distribution, Sources Apportionment and Health Risk of Metals in Topsoil in Beijing, China.

PubMed

Sun, Chunyuan; Zhao, Wenji; Zhang, Qianzhong; Yu, Xue; Zheng, Xiaoxia; Zhao, Jiayin; Lv, Ming

2016-07-20

In order to acquire the pollution feature and regularities of distribution of metals in the topsoil within the sixth ring road in Beijing, a total of 46 soil samples were collected, and the concentrations of twelve elements (Nickel, Ni, Lithium, Li, Vanadium, V, Cobalt, Co, Barium, Ba, Strontium, Sr, Chrome, Cr, Molybdenum, Mo, Copper, Cu, Cadmium, Cd, Zinc, Zn, Lead, Pb) were analyzed. Geostatistics and multivariate statistics were conducted to identify spatial distribution characteristics and sources. In addition, the health risk of the analyzed heavy metals to humans (adult) was evaluated by an U.S. Environmental Protection Agency health risk assessment model. The results indicate that these metals have notable variation in spatial scale. The concentration of Cr was high in the west and low in the east, while that of Mo was high in the north and low in the south. High concentrations of Cu, Cd, Zn, and Pb were found in the central part of the city. The average enrichment degree of Cd is 5.94, reaching the standard of significant enrichment. The accumulation of Cr, Mo, Cu, Cd, Zn, and Pb is influenced by anthropogenic activity, including vehicle exhaustion, coal burning, and industrial processes. Health risk assessment shows that both non-carcinogenic and carcinogenic risks of selected heavy metals are within the safety standard and the rank of the carcinogenic risk of the four heavy metals is Cr > Co > Ni > Cd.

Spatial Distribution, Sources Apportionment and Health Risk of Metals in Topsoil in Beijing, China

PubMed Central

Sun, Chunyuan; Zhao, Wenji; Zhang, Qianzhong; Yu, Xue; Zheng, Xiaoxia; Zhao, Jiayin; Lv, Ming

2016-01-01

In order to acquire the pollution feature and regularities of distribution of metals in the topsoil within the sixth ring road in Beijing, a total of 46 soil samples were collected, and the concentrations of twelve elements (Nickel, Ni, Lithium, Li, Vanadium, V, Cobalt, Co, Barium, Ba, Strontium, Sr, Chrome, Cr, Molybdenum, Mo, Copper, Cu, Cadmium, Cd, Zinc, Zn, Lead, Pb) were analyzed. Geostatistics and multivariate statistics were conducted to identify spatial distribution characteristics and sources. In addition, the health risk of the analyzed heavy metals to humans (adult) was evaluated by an U.S. Environmental Protection Agency health risk assessment model. The results indicate that these metals have notable variation in spatial scale. The concentration of Cr was high in the west and low in the east, while that of Mo was high in the north and low in the south. High concentrations of Cu, Cd, Zn, and Pb were found in the central part of the city. The average enrichment degree of Cd is 5.94, reaching the standard of significant enrichment. The accumulation of Cr, Mo, Cu, Cd, Zn, and Pb is influenced by anthropogenic activity, including vehicle exhaustion, coal burning, and industrial processes. Health risk assessment shows that both non-carcinogenic and carcinogenic risks of selected heavy metals are within the safety standard and the rank of the carcinogenic risk of the four heavy metals is Cr > Co > Ni > Cd. PMID:27447657

Multibody dynamic analysis using a rotation-free shell element with corotational frame

NASA Astrophysics Data System (ADS)

Shi, Jiabei; Liu, Zhuyong; Hong, Jiazhen

2018-03-01

Rotation-free shell formulation is a simple and effective method to model a shell with large deformation. Moreover, it can be compatible with the existing theories of finite element method. However, a rotation-free shell is seldom employed in multibody systems. Using a derivative of rigid body motion, an efficient nonlinear shell model is proposed based on the rotation-free shell element and corotational frame. The bending and membrane strains of the shell have been simplified by isolating deformational displacements from the detailed description of rigid body motion. The consistent stiffness matrix can be obtained easily in this form of shell model. To model the multibody system consisting of the presented shells, joint kinematic constraints including translational and rotational constraints are deduced in the context of geometric nonlinear rotation-free element. A simple node-to-surface contact discretization and penalty method are adopted for contacts between shells. A series of analyses for multibody system dynamics are presented to validate the proposed formulation. Furthermore, the deployment of a large scaled solar array is presented to verify the comprehensive performance of the nonlinear shell model.

Anomalies in the Charge Yields of Fission Fragments from the U ( n , f ) 238 Reaction

DOE PAGES

Wilson, J. N.; Lebois, M.; Qi, L.; ...

2017-06-01

Fast-neutron-induced fission of 238U at an energy just above the fission threshold is studied with a novel technique which involves the coupling of a high-efficiency γ-ray spectrometer (MINIBALL) to an inverse-kinematics neutron source (LICORNE) to extract charge yields of fission fragments via γ-γ coincidence spectroscopy. Experimental data and fission models are compared and found to be in reasonable agreement for many nuclei; however, significant discrepancies of up to 600% are observed, particularly for isotopes of Sn and Mo. This indicates that these models significantly overestimate the standard 1 fission mode and suggests that spherical shell effects in the nascent fissionmore » fragments are less important for low-energy fast-neutron-induced fission than for thermal neutron-induced fission. Finally, this has consequences for understanding and modeling the fission process, for experimental nuclear structure studies of the most neutron-rich nuclei, for future energy applications (e.g., Generation IV reactors which use fast-neutron spectra), and for the reactor antineutrino anomaly.« less

ZnO@MnO2 Core-Shell Nanofiber Cathodes for High Performance Asymmetric Supercapacitors.

PubMed

Radhamani, A V; Shareef, K M; Rao, M S Ramachandra

2016-11-09

Asymmetric supercapacitors (ASCs) with aqueous electrolyte medium have recently become the focus of increasing research. For high performance ASCs, selection of cathode materials play a crucial role, and core-shell nanostructures are found to be a good choice. We successfully synthesized, ZnO@MnO 2 core-shell nanofibers (NFs) by modification of high-aspect-ratio-electrospun ZnO NFs hydrothermally with MnO 2 nanoflakes. High conductivity of the ZnO NFs and the exceptionally high pseudocapacitive nature of MnO 2 nanoflakes coating delivered a specific capacitance of 907 Fg -1 at 0.6 Ag -1 for the core-shell NFs. A simple and cost-effective ASC construction was demonstrated with ZnO@MnO 2 NFs as a battery-type cathode material and a commercial-quality activated carbon as a capacitor-type anode material. The fabricated device functioned very well in a voltage window of 0-2.0 V, and a red-LED was illuminated using a single-celled fabricated ASC device. It was found to deliver a maximum energy density of 17 Whkg -1 and a power density of 6.5 kWkg -1 with capacitance retention of 94% and Coulombic efficiency of 100%. The novel architecture of the ZnO@MnO 2 core-shell nanofibrous material implies the importance of using simple design of fiber-based electrode material by mere changes of core and shell counterparts.

Impact of pecan nut shell aqueous extract on the oxidative properties of margarines during storage.

PubMed

Engler Ribeiro, Paula Cristina; de Britto Policarpi, Priscila; Dal Bo, Andrea; Barbetta, Pedro Alberto; Block, Jane Mara

2017-07-01

The oxidative properties of margarines supplemented with pecan nut shell extract, rosemary extract and butylated hydroxytoluene (BHT) were investigated. The extracts of pecan nut shell and rosemary showed a high content of total phenolics and condensed tannins (93 and 102.9 mg GAE g -1 and 46 and 38.9 mg CE g -1 respectively) as well as a high antioxidant activity (1257 and 2306 µmol TEAC g -1 and 293 and 856 mg TEAC g -1 by ABTS and DPPH methods respectively). Gallic acid, chlorogenic acid, p-hydroxybenzoic acid, epicatechin and epicatechin gallate were identified in the pecan nut shell extract. Peroxide and p-anisidine values of 3.75-4.43 meq kg -1 and 1.22-2.73 respectively, Totox values of 9.88-10.8 and specific extinction values of 4.38-4.59 and 0.92-0.94 at 232 and 268 nm respectively were observed after 8 months of storage in the studied samples. Margarines supplemented with pecan nut shell extract, rosemary extract or BHT during prolonged storage were found to be of equal quality within the degree of confidence limits. The extract of pecan nut shell may be considered as a natural product replacement for the synthetic antioxidant BHT. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Antifungal Potential and Antioxidant Efficacy in the Shell Extract of Cocos nucifera (L.) (Arecaceae) against Pathogenic Dermal Mycosis

PubMed Central

Khalid Thebo, Nasreen; Ahmed Simair, Altaf; Sughra Mangrio, Ghulam; Ansari, Khalil Ahmed; Ali Bhutto, Aijaz; Lu, Changrui; Ali Sheikh, Wazir

2016-01-01

Background: Coconut is a tropical fruit well known for its essential oils that have been recognized for their biological activities since ancient times. There have been no previous investigations on the essential oils from coconut shells. Method: The shell extract of Cocos nucifera (L.) was prepared by the Soxhlet method and total phenolic content (TPC) in the extract was determined by Folin-Ciocalteu (FC) assay. The antioxidant potential of the coconut shell extract was evaluated by using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay. Minimum inhibitory concentration (MIC) of the extract was determined by the strip method against clinically isolated dermal mycosis of 20 infected patients. Result: Total antioxidant activity varied from 92.32% to 94.20% and total phenolic content was found at 5.33 ± 0.02 mg/g in the coconut shell extract. The extract was found to be most effective as an antifungal against human pathogenic fungi, including A. niger, A. flavus, T. rubrum, M. canis, M. gypseum, A. fumigates, T. mentagrophyte and T. vercossum. The crude shell extract was highly effective against all dermal mycosis tested with the MIC ranging from 62 mm to 90 mm, whereas all fungal samples showed good inhibitory effect. Conclusion: The results of the present study provide a potential cure for microbial infections. PMID:28930122

Reflectance, Optical Properties, and Stability of Molybdenum/Strontium and Molybdenum/Yttrium Multilayer Mirrors

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

Kjornrattanawanich, Benjawan

2002-09-01

The motivation of this work is to develop high reflectance normal-incidence multilayer mirrors in the 8-12 nm wavelength region for applications in astronomy and extreme ultraviolet lithography. To achieve this goal, Mo/Sr and Mo/Y multilayers were studied. These multilayers were deposited with a UHV magnetron sputtering system and their reflectances were measured with synchrotron radiation. High normal-incidence reflectances of 23% at 8.8 nm, 40.8% at 9.4 nm, and 48.3% at 10.5 nm were achieved. However, the reflectance of Mo/Sr multilayers decreased rapidly after exposure to air. Attempts to use thin layers of carbon to passivate the surface of Mo/Sr multilayers were unsuccessful. Experimental results on the refractive indexmore » $$\\tilde{n}$$ = 1-δ + iβ of yttrium and molybdenum in the 50-1300 eV energy region are reported in this work. This is the first time ever that values on the refractive index of yttrium are measured in this energy range. The absorption part β was determined through transmittance measurements. The dispersive part δ was calculated by means of the Kramers-Kronig formalism. The newly determined values of the refractive index of molybdenum are in excellent agreement with the published data. Those of yttrium are more accurate and contain fine structures around the yttrium M-absorption edges where Mo/Y multilayers operate. These improved sets of optical data lead to better design and modeling of the optical properties of Mo/Y multilayers. The reflectance quality of Mo/Y multilayers is dependent on their optical and structural properties. To correlate these properties with the multilayer reflectance, x-ray diffraction, Rutherford backscattering spectrometry, and transmission electron microscopy were used to analyze samples. Normal-incidence reflectances of 32.6% at 9.27 nm, 38.4% at 9.48 nm, and 29.6% at 9.46 nm were obtained from three representative Mo/Y multilayers which had about 0%, 25%, and 39% atomic oxygen assimilated in their yttrium layers, respectively. Based on the optical properties, multilayers with higher oxygen content should have higher absorption. However, the 25%-oxygen multilayer had less interface roughness and thus had higher reflectance than the 0%-oxygen sample. The 39%-oxygen multilayer had the highest absorption and roughness, thus had the lowest reflectance among three samples. The optical and structural properties of the multilayers are competing in the reflectance results.« less

Molecular Structures, Vibrational Spectroscopy, and Normal-Mode Analysis of M(2)(C&tbd1;CR)(4)(PMe(3))(4) Dimetallatetraynes. Observation of Strongly Mixed Metal-Metal and Metal-Ligand Vibrational Modes.

PubMed

John, Kevin D.; Miskowski, Vincent M.; Vance, Michael A.; Dallinger, Richard F.; Wang, Louis C.; Geib, Steven J.; Hopkins, Michael D.

1998-12-28

The nature of the skeletal vibrational modes of complexes of the type M(2)(C&tbd1;CR)(4)(PMe(3))(4) (M = Mo, W; R = H, Me, Bu(t)(), SiMe(3)) has been deduced. Metrical data from X-ray crystallographic studies of Mo(2)(C&tbd1;CR)(4)(PMe(3))(4) (R = Me, Bu(t)(), SiMe(3)) and W(2)(C&tbd1;CMe)(4)(PMe(3))(4) reveal that the core bond distances and angles are within normal ranges and do not differ in a statistically significant way as a function of the alkynyl substituent, indicating that their associated force constants should be similarly invariant among these compounds. The crystal structures of Mo(2)(C&tbd1;CSiMe(3))(4)(PMe(3))(4) and Mo(2)(C&tbd1;CBu(t)())(4)(PMe(3))(4) are complicated by 3-fold disorder of the Mo(2) unit within apparently ordered ligand arrays. Resonance-Raman spectra ((1)(delta-->delta) excitation, THF solution) of Mo(2)(C&tbd1;CSiMe(3))(4)(PMe(3))(4) and its isotopomers (PMe(3)-d(9), C&tbd1;CSiMe(3)-d(9), (13)C&tbd1;(13)CSiMe(3)) exhibit resonance-enhanced bands due to a(1)-symmetry fundamentals (nu(a) = 362, nu(b) = 397, nu(c) = 254 cm(-)(1) for the natural-abundance complex) and their overtones and combinations. The frequencies and relative intensities of the fundamentals are highly sensitive to isotopic substitution of the C&tbd1;CSiMe(3) ligands, but are insensitive to deuteration of the PMe(3) ligands. Nonresonance-Raman spectra (FT-Raman, 1064 nm excitation, crystalline samples) for the Mo(2)(C&tbd1;CSiMe(3))(4)(PMe(3))(4) compounds and for Mo(2)(C&tbd1;CR)(4)(PMe(3))(4) (R = H, D, Me, Bu(t)(), SiMe(3)) and W(2)(C&tbd1;CMe)(4)(PMe(3))(4) exhibit nu(a), nu(b), and nu(c) and numerous bands due to alkynyl- and phosphine-localized modes, the latter of which are assigned by comparisons to FT-Raman spectra of Mo(2)X(4)L(4) (X = Cl, Br, I; L = PMe(3), PMe(3)-d(9))(4) and Mo(2)Cl(4)(AsMe(3))(4). Valence force-field normal-coordinate calculations on the model compound Mo(2)(C&tbd1;CH)(4)P(4), using core force constants transferred from a calculation on Mo(2)Cl(4)P(4), show that nu(a), nu(b), and nu(c) arise from modes of strongly mixed nu(Mo(2)), nu(MoC), and lambda(MoCC) character. The relative intensities of the resonance-Raman bands due to nu(a), nu(b), and nu(c) reflect, at least in part, their nu(M(2)) character. In contrast, the force field shows that mixing of nu(M(2)) and nu(C&tbd1;C) is negligible. The three-mode mixing is expected to be a general feature for quadruply bonded complexes with unsaturated ligands.

Bright-field electron tomography of individual inorganic fullerene-like structures

NASA Astrophysics Data System (ADS)

Bar Sadan, Maya; Wolf, Sharon G.; Houben, Lothar

2010-03-01

Nanotubes and fullerene-like nanoparticles of various inorganic layered compounds have been studied extensively in recent years. Their characterisation on the atomic scale has proven essential for progress in synthesis as well as for the theoretical modelling of their physical properties. We show that with electron tomography it is possible to achieve a reliable reconstruction of the 3D structure of nested WS2 or MoS2 fullerene-like and nanotube structures with sub-nanometre resolution using electron microscopes that are not aberration-corrected. Model-based simulations were used to identify imaging parameters, under which structural features such as the shell structure can be retained in the tomogram reconstructed from bright-field micrographs. The isolation of a particle out of an agglomerate for the analysis of a single structure and its interconnection with other particles is facilitated through the tomograms. The internal structure of the layers within the particle alongside the shape and content of its internal void are reconstructed. The tomographic reconstruction yields insights regarding the growth process as well as structural defects, such as non-continuous layers, which relate to the lubrication properties.Nanotubes and fullerene-like nanoparticles of various inorganic layered compounds have been studied extensively in recent years. Their characterisation on the atomic scale has proven essential for progress in synthesis as well as for the theoretical modelling of their physical properties. We show that with electron tomography it is possible to achieve a reliable reconstruction of the 3D structure of nested WS2 or MoS2 fullerene-like and nanotube structures with sub-nanometre resolution using electron microscopes that are not aberration-corrected. Model-based simulations were used to identify imaging parameters, under which structural features such as the shell structure can be retained in the tomogram reconstructed from bright-field micrographs. The isolation of a particle out of an agglomerate for the analysis of a single structure and its interconnection with other particles is facilitated through the tomograms. The internal structure of the layers within the particle alongside the shape and content of its internal void are reconstructed. The tomographic reconstruction yields insights regarding the growth process as well as structural defects, such as non-continuous layers, which relate to the lubrication properties. Electronic supplementary information (ESI) available: Figs. S1 and S2 and movies S1-S6. See DOI: 10.1039/b9nr00251k

TESTING THE ROLE OF SNe Ia FOR GALACTIC CHEMICAL EVOLUTION OF p-NUCLEI WITH TWO-DIMENSIONAL MODELS AND WITH s-PROCESS SEEDS AT DIFFERENT METALLICITIES

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

Travaglio, C.; Gallino, R.; Rauscher, T.

2015-01-20

The bulk of p isotopes is created in the ''gamma processes'' mainly by sequences of photodisintegrations and beta decays in explosive conditions in Type Ia supernovae (SNIa) or in core collapse supernovae (ccSN). The contribution of different stellar sources to the observed distribution of p-nuclei in the solar system is still under debate. We explore single degenerate Type Ia supernovae in the framework of two-dimensional SNIa delayed-detonation explosion models. Travaglio et al. discussed the sensitivity of p-nuclei production to different SNIa models, i.e., delayed detonations of different strength, deflagrations, and the dependence on selected s-process seed distributions. Here we present amore » detailed study of p-process nucleosynthesis occurring in SNIa with s-process seeds at different metallicities. Based on the delayed-detonation model DDT-a of TRV11, we analyze the dependence of p-nucleosynthesis on the s-seed distribution obtained from different strengths of the {sup 13}C pocket. We also demonstrate that {sup 208}Pb seed alone changes the p-nuclei production considerably. The heavy-s seeds (140 ≤A < 208) contribute with about 30%-40% to the total light-p nuclei production up to {sup 132}Ba (with the exception of {sup 94}Mo and {sup 130}Ba, to which the heavy-s seeds contribute with about 15% only). Using a Galactic chemical evolution code from Travaglio et al., we study the contribution of SNIa to the solar stable p-nuclei. We find that explosions of Chandrasekhar-mass single degenerate systems produce a large amount of p-nuclei in our Galaxy, both in the range of light (A ≤ 120) and heavy p-nuclei, at almost flat average production factors (within a factor of about three). We discussed in details p-isotopes such as {sup 94}Mo with a behavior diverging from the average, which we attribute to uncertainties in the nuclear data or in SNIa modeling. Li et al. find that about 70% of all SNeIa are normal events. If these are explained in the framework of explosions of Chandrasekhar-mass white dwarfs resulting from the single-degenerate progenitor channel, we find that they are responsible for at least 50% of the p-nuclei abundances in the solar system.« less

Adsorption and photocatalysis for methyl orange and Cd removal from wastewater using TiO2/sewage sludge-based activated carbon nanocomposites

PubMed Central

Eltaher, M. A.; Abdou, A. N. A.

2017-01-01

Nanocomposite TiO2/ASS (TiO2 nanoparticle coated sewage sludge-based activated carbon) was synthesized by the sol-gel method. The changes in surface properties of the TiO2/ASS nanocomposite were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM) and X-ray fluorescence. The prepared TiO2/ASS nanocomposite was applied for simultaneous removal of methyl orange dye (MO) and Cd2+ from bi-pollutant solution. The factors influencing photocatalysis (TiO2 : ASS ratios, initial pollutant concentrations, solution pH, nanocomposite dosage and UV irradiation time) were investigated. The results revealed that high removal efficiency of methyl orange dye (MO) and Cd2+ from bi-pollutant solution was achieved with TiO2/ASS at a ratio (1 : 2). The obtained results revealed that degradation of MO dye on the TiO2/ASS nanocomposite was facilitated by surface adsorption and photocatalytic processes. The coupled photocatalysis and adsorption shown by TiO2/ASS nanocomposite resulted in faster and higher degradation of MO as compared to MO removal by ASS adsorbent. The removal efficiency of MO by ASS adsorbent and TiO2/ASS (1 : 2) nanocomposite at optimum pH value 7 were 74.14 and 94.28%, respectively, while for Cd2+ it was more than 90%. The experimental results fitted well with the second-order kinetic reaction. PMID:29308227

Adsorption and photocatalysis for methyl orange and Cd removal from wastewater using TiO2/sewage sludge-based activated carbon nanocomposites.

PubMed

Rashed, M Nageeb; Eltaher, M A; Abdou, A N A

2017-12-01

Nanocomposite TiO 2 /ASS (TiO 2 nanoparticle coated sewage sludge-based activated carbon) was synthesized by the sol-gel method. The changes in surface properties of the TiO 2 /ASS nanocomposite were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM) and X-ray fluorescence. The prepared TiO 2 /ASS nanocomposite was applied for simultaneous removal of methyl orange dye (MO) and Cd 2+ from bi-pollutant solution. The factors influencing photocatalysis (TiO 2  : ASS ratios, initial pollutant concentrations, solution pH, nanocomposite dosage and UV irradiation time) were investigated. The results revealed that high removal efficiency of methyl orange dye (MO) and Cd 2+ from bi-pollutant solution was achieved with TiO 2 /ASS at a ratio (1 : 2). The obtained results revealed that degradation of MO dye on the TiO 2 /ASS nanocomposite was facilitated by surface adsorption and photocatalytic processes. The coupled photocatalysis and adsorption shown by TiO 2 /ASS nanocomposite resulted in faster and higher degradation of MO as compared to MO removal by ASS adsorbent. The removal efficiency of MO by ASS adsorbent and TiO 2 /ASS (1 : 2) nanocomposite at optimum pH value 7 were 74.14 and 94.28%, respectively, while for Cd 2+ it was more than 90%. The experimental results fitted well with the second-order kinetic reaction.

Adsorption and photocatalysis for methyl orange and Cd removal from wastewater using TiO2/sewage sludge-based activated carbon nanocomposites

NASA Astrophysics Data System (ADS)

Rashed, M. Nageeb; Eltaher, M. A.; Abdou, A. N. A.

2017-12-01

Nanocomposite TiO2/ASS (TiO2 nanoparticle coated sewage sludge-based activated carbon) was synthesized by the sol-gel method. The changes in surface properties of the TiO2/ASS nanocomposite were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM) and X-ray fluorescence. The prepared TiO2/ASS nanocomposite was applied for simultaneous removal of methyl orange dye (MO) and Cd2+ from bi-pollutant solution. The factors influencing photocatalysis (TiO2 : ASS ratios, initial pollutant concentrations, solution pH, nanocomposite dosage and UV irradiation time) were investigated. The results revealed that high removal efficiency of methyl orange dye (MO) and Cd2+ from bi-pollutant solution was achieved with TiO2/ASS at a ratio (1 : 2). The obtained results revealed that degradation of MO dye on the TiO2/ASS nanocomposite was facilitated by surface adsorption and photocatalytic processes. The coupled photocatalysis and adsorption shown by TiO2/ASS nanocomposite resulted in faster and higher degradation of MO as compared to MO removal by ASS adsorbent. The removal efficiency of MO by ASS adsorbent and TiO2/ASS (1 : 2) nanocomposite at optimum pH value 7 were 74.14 and 94.28%, respectively, while for Cd2+ it was more than 90%. The experimental results fitted well with the second-order kinetic reaction.

The Protective Effect of Melissa officinalis L. in Visceral Hypersensitivity in Rat Using 2 Models of Acid-induced Colitis and Stress-induced Irritable Bowel Syndrome: A Possible Role of Nitric Oxide Pathway.

PubMed

Dolatabadi, Fatemeh; Abdolghaffari, Amir H; Farzaei, Mohammad H; Baeeri, Maryam; Ziarani, Fatemeh S; Eslami, Majid; Abdollahi, Mohammad; Rahimi, Roja

2018-06-04

The aim of present study is to estimate the effects of Melissa officinalis L. (MO) on visceral hypersensitivity (VH), defecation pattern and biochemical factors in 2 experimental models of irritable bowel syndrome (IBS) and the possible role of nitric oxide. Two individual models of IBS were induced in male Wistar-albino rats. In the acetic acid model, the animals were exposed to rectal distension and abdominal withdrawal reflex, and the defecation patterns were determined. In the restraint stress model, the colons of rats were removed and the levels of TNF-α, myeloperoxidase, lipid peroxidation, and antioxidant powers were determined. Rats had been treated with MO, L-NG-nitroarginine methyl ester (L-NAME), aminoguanidine (AG), MO + AG, or MO + L-NAME in the mentioned experimental models. Hypersensitive response to rectal distension and more stool defecation in control rats have been observed in comparison to shams. MO-300 significantly reduced VH and defecation frequency in comparison to controls. VH and defecation pattern did not show significant change in AG + MO and L-NAME + MO groups compared to controls. Also, significant reduction in TNF-α, myeloperoxidase, TBARS, and an increase in antioxidant power in MO-300 was recorded compared to controls. AG + MO and L-NAME + MO groups showed a reverse pattern compared to MO-300. MO can ameliorate IBS by modulating VH and defecation patterns. Antioxidant and anti-inflammatory properties along with its effect on the nitrergic pathway seems to play important roles in its pharmacological activity.

Electron Spin Polarization and Detection in InAs Quantum Dots Through p-Shell Trions

DTIC Science & Technology

2010-01-08

Bracker, D. Gershoni, V. L. Korenev , S. C. Badescu, Y. Lyanda- Geller, and T. L. Reinecke, Phys. Rev. Lett. 95, 177403 2005. 16A. Babinski, M...V. L. Korenev , and I. A. Merkulov, Phys. Rev. Lett. 94, 047402 2005. 28Excitation of trion superposition states has also been considered but it has

Dynamic analysis of rotor flex-structure based on nonlinear anisotropic shell models

NASA Astrophysics Data System (ADS)

Bauchau, Olivier A.; Chiang, Wuying

1991-05-01

In this paper an anisotropic shallow shell model is developed that accommodates transverse shearing deformations and arbitrarily large displacements and rotations, but strains are assumed to remain small. Two kinematic models are developed, the first using two DOF to locate the direction of the normal to the shell's midplane, the second using three. The latter model allows for an automatic compatibility of the shell model with beam models. The shell model is validated by comparing its predictions with several benchmark problems. In actual helicopter rotor blade problems, the shell model of the flex structure is shown to give very different results shown compared to beam models. The lead-lag and torsion modes in particular are strongly affected, whereas flapping modes seem to be less affected.

Fretting and Corrosion at the Backside of Modular Cobalt Chromium Acetabular Inserts: A Retrieval Analysis.

PubMed

Tarity, T David; Koch, Chelsea N; Burket, Jayme C; Wright, Timothy M; Westrich, Geoffrey H

2017-03-01

Adverse local tissue reaction formation has been suggested to occur with the Modular Dual Mobility (MDM) acetabular design. Few reports in the literature have evaluated fretting and corrosion damage between the acetabular shell and modular metal inserts in this modular system. We evaluated a series of 18 retrieved cobalt chromium MDM inserts for evidence of fretting and corrosion. We assessed the backsides of 18 MDM components for evidence of fretting and corrosion in polar and taper regions based on previously established methods. We collected and assessed 30 similarly designed modular inserts retrieved from metal-on-metal (MoM) total hip arthroplasties as a control. No specific pattern of fretting or corrosion was identified on the MDM inserts. Both fretting and corrosion were significantly greater in the MoM cohort than the MDM cohort, driven by higher fretting and corrosion scores in the engaged taper region of the MoM inserts. MoM components demonstrated more fretting and corrosion than MDM designs, specifically at the taper region, likely driven by differences in the taper engagement mechanism and geometry among the insert designs. The lack of significant fretting and corrosion observed in the MDM inserts are inconsistent with recent claims that this interface may produce clinically significant metallosis and adverse local tissue reactions. Copyright © 2016 Elsevier Inc. All rights reserved.

Determination of tungsten and molybdenum concentrations from an x-ray range spectrum in JET with the ITER-like wall configuration

NASA Astrophysics Data System (ADS)

Nakano, T.; Shumack, A. E.; Maggi, C. F.; Reinke, M.; Lawson, K. D.; Coffey, I.; Pütterich, T.; Brezinsek, S.; Lipschultz, B.; Matthews, G. F.; Chernyshova, M.; Jakubowska, K.; Scholz, M.; Rzadkiewicz, J.; Czarski, T.; Dominik, W.; Kasprowicz, G.; Pozniak, K.; Zabolotny, W.; Zastrow, K.-D.; Conway, N. J.; contributors, JET

2015-07-01

The {{W}45+} and {{W}46+} 3p-4d inner shell excitation lines in addition to M{{o}32+} 2p-3s lines have been identified from the spectrum taken by an upgraded high-resolution x-ray spectrometer. It is found from analysis of the absolute intensities of the {{W}46+} and M{{o}32+} lines that W and Mo concentrations are in the range of ˜ {{10}-5} and ˜ {{10}-6}, respectively, with a ratio of ˜5% in JET with the ITER-like wall configuration for ELMy H-mode plasmas with a plasma current of 2.0-2.5 MA, a toroidal magnetic field of 2.7 T and a neutral beam injection power of 14-18 MW. For the purpose of checking self-consistency, it is confirmed that the W concentration determined from the {{W}45+} line is in agreement with that from the {{W}46+} line within 20% and that the plasma effective charge determined from the continuum of the first order reflection spectrum is also in agreement with that from the second order within 50%. Further, the determined plasma effective charge is in agreement with that determined from a visible spectroscopy, confirming that the sensitivity of the x-ray spectrometer is valid and that the W and the Mo concentrations are also likely to be valid.

Formation of novel transition metal hydride complexes with ninefold hydrogen coordination

PubMed Central

Takagi, Shigeyuki; Iijima, Yuki; Sato, Toyoto; Saitoh, Hiroyuki; Ikeda, Kazutaka; Otomo, Toshiya; Miwa, Kazutoshi; Ikeshoji, Tamio; Orimo, Shin-ichi

2017-01-01

Ninefold coordination of hydrogen is very rare, and has been observed in two different hydride complexes comprising rhenium and technetium. Herein, based on a theoretical/experimental approach, we present evidence for the formation of ninefold H- coordination hydride complexes of molybdenum ([MoH9]3−), tungsten ([WH9]3−), niobium ([NbH9]4−) and tantalum ([TaH9]4−) in novel complex transition-metal hydrides, Li5MoH11, Li5WH11, Li6NbH11 and Li6TaH11, respectively. All of the synthesized materials are insulated with band gaps of approximately 4 eV, but contain a sufficient amount of hydrogen to cause the H 1s-derived states to reach the Fermi level. Such hydrogen-rich materials might be of interest for high-critical-temperature superconductivity if the gaps close under compression. Furthermore, the hydride complexes exhibit significant rotational motions associated with anharmonic librations at room temperature, which are often discussed in relation to the translational diffusion of cations in alkali-metal dodecahydro-closo-dodecaborates and strongly point to the emergence of a fast lithium conduction even at room temperature. PMID:28287143

Rib fractures under anterior-posterior dynamic loads: experimental and finite-element study.

PubMed

Li, Zuoping; Kindig, Matthew W; Kerrigan, Jason R; Untaroiu, Costin D; Subit, Damien; Crandall, Jeff R; Kent, Richard W

2010-01-19

The purpose of this study was to investigate whether using a finite-element (FE) mesh composed entirely of hexahedral elements to model cortical and trabecular bone (all-hex model) would provide more accurate simulations than those with variable thickness shell elements for cortical bone and hexahedral elements for trabecular bone (hex-shell model) in the modeling human ribs. First, quasi-static non-injurious and dynamic injurious experiments were performed using the second, fourth, and tenth human thoracic ribs to record the structural behavior and fracture tolerance of individual ribs under anterior-posterior bending loads. Then, all-hex and hex-shell FE models for the three ribs were developed using an octree-based and multi-block hex meshing approach, respectively. Material properties of cortical bone were optimized using dynamic experimental data and the hex-shell model of the fourth rib and trabecular bone properties were taken from the literature. Overall, the reaction force-displacement relationship predicted by both all-hex and hex-shell models with nodes in the offset middle-cortical surfaces compared well with those measured experimentally for all the three ribs. With the exception of fracture locations, the predictions from all-hex and offset hex-shell models of the second and fourth ribs agreed better with experimental data than those from the tenth rib models in terms of reaction force at fracture (difference <15.4%), ultimate failure displacement and time (difference <7.3%), and cortical bone strains. The hex-shell models with shell nodes in outer cortical surfaces increased static reaction forces up to 16.6%, compared to offset hex-shell models. These results indicated that both all-hex and hex-shell modeling strategies were applicable for simulating rib responses and bone fractures for the loading conditions considered, but coarse hex-shell models with constant or variable shell thickness were more computationally efficient and therefore preferred. Copyright 2009 Elsevier Ltd. All rights reserved.

Quantum-chemical study of model chemisorption structures on copper-containing catalysts. Communicat ion 1. ab-initio calculations of CuCo and CuCo/sup +/

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

Kuzminskii, M.B.; Bagator'yants, A.A.; Kazanskii, V.B.

1986-08-01

The authors perform ab-initio calculations, by the SCF MO LCAO method, of the electronic and geometric structure of the systems CuCO /SUP n+/ (n=0, 1) and potential curves of CO, depending on the charge state of the copper, with variation of all geometric parameters. The calculations of open-shell electronic states were performed by the unrestricted SCF method in a minimal basis set (I, STO-3G for the C and O, and MINI-1' for the Cu) and in a valence two-exponential basis set (II, MIDI-1 for the C and O, and MIDI'2' for the Cu). The principal results from the calculation inmore » the more flexible basis II are presented and the agreement between the results obtained in the minimal basis I and these data is then analyzed qualitatively.« less

A Phase-Separation Route to Synthesize Porous CNTs with Excellent Stability for Na+ Storage.

PubMed

Chen, Zhi; Wang, Taihong; Zhang, Ming; Cao, Guozhong

2017-06-01

Porous carbon nanotubes (CNTs) are obtained by removing MoO 2 nanoparticles from MoO 2 @C core@shell nanofibers which are synthesized by phase-segregation via a single-needle electrospinning method. The specific surface area of porous CNTs is 502.9 m 2 g -1 , and many oxygen-containing functional groups (COH, CO) are present. As anodes for sodium-ion batteries, the porous CNT electrode displays excellent rate performance and cycling stability (110 mA h g -1 after 1200 cycles at 5 A g -1 ). Those high properties can be attributed to the porous structure and surface modification to steadily store Na + with high capacity. The work provides a facile and broadly applicable way to fabricate the porous CNTs and their composites for batteries, catalysts, and fuel cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

One dimensional CdS nanowire@TiO2 nanoparticles core-shell as high performance photocatalyst for fast degradation of dye pollutants under visible and sunlight irradiation.

PubMed

Arabzadeh, Abbas; Salimi, Abdollah

2016-10-01

In this study, one-dimensional CdS nanowires@TiO2 nanoparticles core-shell structures (1D CdS NWs@TiO2 NPs) were synthesized by a facile wet chemical-solvothermal method. The different aspects of the properties of CdS NWs@TiO2 NPs were surveyed by using a comprehensive range of characterization techniques including X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), UV-vis spectroscopy, scanning electron microscopy (SEM), fluorescence spectroscopy, energy dispersive X-ray spectroscopy (EDX), Cyclic Voltammetry (CV) and amperometry. The as-prepared nanostructure was applied as an effective photocatalyst for degradation of methyl orange (MO), methylene blue (MB) and rhodamine B (Rh B) under visible and sunlight irradiation. The results indicated significantly enhanced photocatalytic activity of CdS NWs@TiO2 NPs for degradation of MO, MB and Rh B compared to CdS NWs. The enhanced photocatalytic activity could be attributed to the enhanced sunlight absorbance and the efficient charge separation of the formed heterostructure between CdS NWs and TiO2. The results showed that MO, Rh B and MB were almost completely degraded after 2, 2 and 3min of exposure to sunlight, respectively; while under visible light irradiation (3W blue LED lamp) the dyes were decomposed with less half degradation rate. The catalytic activity was retained even after three degradation cycles of organic dyes, demonstrating that the proposed nanocomposite can be effectively used as efficient photocatalyst for removal of environmental pollutions caused by organic dyes under sunlight irradiation and it could be an important addition to the field of wastewater treatment. We hope the present study may open a new window of such 1-D semiconductor nanocomposites to be used as visible light photocatalysts in the promising field of organic dyes degradation. Copyright © 2016 Elsevier Inc. All rights reserved.

THREE-DIMENSIONAL MODELING OF THE DYNAMICS OF THERAPEUTIC ULTRASOUND CONTRAST AGENTS

PubMed Central

Hsiao, Chao-Tsung; Lu, Xiaozhen; Chahine, Georges

2010-01-01

A 3-D thick-shell contrast agent dynamics model was developed by coupling a finite volume Navier-Stokes solver and a potential boundary element method flow solver to simulate the dynamics of thick-shelled contrast agents subjected to pressure waves. The 3-D model was validated using a spherical thick-shell model validated by experimental observations. We then used this model to study shell break-up during nonspherical deformations resulting from multiple contrast agent interaction or the presence of a nearby solid wall. Our simulations indicate that the thick viscous shell resists the contrast agent from forming a re-entrant jet, as normally observed for an air bubble oscillating near a solid wall. Instead, the shell thickness varies significantly from location to location during the dynamics, and this could lead to shell break-up caused by local shell thinning and stretching. PMID:20950929

α -decay chains of superheavy nuclei with Z =125

NASA Astrophysics Data System (ADS)

Santhosh, K. P.; Nithya, C.

2018-04-01

The decay properties of the isotopes of Z =125 within the range 303 ≤ A ≤ 339 are investigated. The calculation of proton separation energies reveals that isotopes 125-309303 may decay through proton emission. Four different mass tables are used to show the sensitivity of the mass models used to calculate the Q values as well as the α-decay half-lives. α -decay chains are predicted by comparing the α half-lives calculated within the Coulomb and proximity potential model for deformed nuclei (CPPMDN) [Nucl. Phys. A 850, 34 (2011), 10.1016/j.nuclphysa.2010.12.002] with the spontaneous fission half-lives using the shell-effect-dependent formula [Phys. Rev. C 94, 054621 (2016), 10.1103/PhysRevC.94.054621]. It is seen that isotopes 125,311310 show 6α chains. 5α chains can be seen from isotopes 125-318312. Isotopes 125,320319 exhibit 2α chains and 323125 exhibits 1α chain. All the other isotopes, that is, 125 321 ,322 ,324 -339 may decay through spontaneous fission. The α half-lives using CPPMDN are compared with five other theoretical formalisms and are seen to be matching with each other. We hope that our studies will be helpful in designing future experiments to explore the island of stability.

Comparative uptake from sea water and tissue distribution of 60Co in marine mollusks

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

Carvalho, F.P.

Five different species of marine mollusks, Mytilus galloprovincialis Lmk., Tapes decussatus L., Cerastoderma (Cardium) edule (L.), Donax vittatus (da Costa) and Patella vulgata L., were exposed to /sup 60/Co-labelled sea water under laboratory conditions. After a 1-mo exposure, tested species reached different whole-body /sup 60/Co concentration factors (CF) over radioactive sea water of 73 +/- 27, 22 +/- 10, 84 +/- 25, 6.3 +/- 1.4 and 31 +/- 10, respectively, which are not dependent upon the size of mollusks. Equations for the experimental uptake curves, obtained using a multi-exponential model, indicate that /sup 60/Co uptake by mollusks involves two ormore » three compartments, according to the species. In all species, the larger compartments turn over with long biological half-lives, dependent upon species. At the beginning of the experiment, /sup 60/CoCl2 added to sea water was mainly in cationic forms. These forms were progressively converted into anionic plus neutral forms most likely due to complex formation with organic ligands. With time this physico-chemical evolution had a lowering effect on /sup 60/Co bioaccumulation by mollusks. Analysis of /sup 60/Co in tissues revealed that Donax shell and mantle do not accumulate the radionuclide in great quantities, generating the low whole-body concentration factor found. In contrast, shell and mantle from all other species displayed variable but high CFs. Shell by itself accounts for more than half of the /sup 60/Co whole-body burden. Among soft tissues, gills and viscera displayed the highest CF and muscle the lowest. From these experiments, one may conclude that significant differences among species do exist regarding Co bioaccumulation potential.« less

Intramolecular interactions of L-phenylalanine revealed by inner shell chemical shift

NASA Astrophysics Data System (ADS)

Ganesan, Aravindhan; Wang, Feng

2009-07-01

Intramolecular interactions of the functional groups, carboxylic acid, amino, and phenyl in L-phenylalanine have been revealed through inner shell chemical shift. The chemical shift and electronic structures are studied using its derivatives, 2-phenethylamine (PEA) and 3-phenylpropionic acid (PPA), through substitutions of the functional groups on the chiral carbon Cα, i.e., carboxylic acid (-COOH) and amino (-NH2) groups. Inner shell ionization spectra of L-phenylalanine are simulated using density functional theory based B3LYP/TZVP and LB94/et-pVQZ models, which achieve excellent agreement with the most recently available synchrotron sourced x-ray photoemission spectroscopy of L-phenylalanine (Elettra, Italy). The present study reveals insight into behavior of the peptide bond (CO-NH) through chemical shift of the C1-Cα-Cβ(-Cγ) chain and intramolecular interactions with phenyl. It is found that the chemical shift of the carbonyl C1(=O) site exhibits an apparently redshift (smaller energy) when interacting with the phenyl aromatic group. Removal of the amino group (-NH2) from L-phenylalanine (which forms PPA) brings this energy on C1 close to that in L-alanine (δ <0.01 eV). Chemical environment of Cα and Cβ exhibits more significant differences in L-alanine than in the aromatic species, indicating that the phenyl group indeed affects the peptide bond in the amino acid fragment. No direct evidences are found that the carbonyl acid and amino group interact with the phenyl ring through conventional hydrogen bonds.

Experimental Verification of the Individual Energy Dependencies of the Partial L-Shell Photoionization Cross Sections of Pd and Mo

NASA Astrophysics Data System (ADS)

Hönicke, Philipp; Kolbe, Michael; Müller, Matthias; Mantler, Michael; Krämer, Markus; Beckhoff, Burkhard

2014-10-01

An experimental method for the verification of the individually different energy dependencies of L1-, L2-, and L3- subshell photoionization cross sections is described. The results obtained for Pd and Mo are well in line with theory regarding both energy dependency and absolute values, and confirm the theoretically calculated cross sections by Scofield from the early 1970 s and, partially, more recent data by Trzhaskovskaya, Nefedov, and Yarzhemsky. The data also demonstrate the questionability of quantitative x-ray spectroscopical results based on the widely used fixed jump ratio approximated cross sections with energy independent ratios. The experiments are carried out by employing the radiometrically calibrated instrumentation of the Physikalisch-Technische Bundesanstalt at the electron storage ring BESSY II in Berlin; the obtained fluorescent intensities are thereby calibrated at an absolute level in reference to the International System of Units. Experimentally determined fixed fluorescence line ratios for each subshell are used for a reliable deconvolution of overlapping fluorescence lines. The relevant fundamental parameters of Mo and Pd are also determined experimentally in order to calculate the subshell photoionization cross sections independently of any database.

A Bayesian network model for predicting aquatic toxicity mode ...

EPA Pesticide Factsheets

The mode of toxic action (MoA) has been recognized as a key determinant of chemical toxicity but MoA classification in aquatic toxicology has been limited. We developed a Bayesian network model to classify aquatic toxicity mode of action using a recently published dataset containing over one thousand chemicals with MoA assignments for aquatic animal toxicity. Two dimensional theoretical chemical descriptors were generated for each chemical using the Toxicity Estimation Software Tool. The model was developed through augmented Markov blanket discovery from the data set with the MoA broad classifications as a target node. From cross validation, the overall precision for the model was 80.2% with a R2 of 0.959. The best precision was for the AChEI MoA (93.5%) where 257 chemicals out of 275 were correctly classified. Model precision was poorest for the reactivity MoA (48.5%) where 48 out of 99 reactive chemicals were correctly classified. Narcosis represented the largest class within the MoA dataset and had a precision and reliability of 80.0%, reflecting the global precision across all of the MoAs. False negatives for narcosis most often fell into electron transport inhibition, neurotoxicity or reactivity MoAs. False negatives for all other MoAs were most often narcosis. A probabilistic sensitivity analysis was undertaken for each MoA to examine the sensitivity to individual and multiple descriptor findings. The results show that the Markov blanket of a structurally

Is there a rationale to use a dual mobility poly insert for failed Birmingham metal-on-metal hip replacements? A retrieval analysis.

PubMed

Renner, Lisa; Faschingbauer, Martin; Boettner, Friedrich

2015-08-01

Previous studies showed poor outcomes for patients undergoing revision of failed metal-on-metal total hip arthroplasty (MoM-THA) and resurfacing (RS) with an increased risk of dislocation. Dual mobility inserts are an option to retain the acetabular component and change the metal-on-metal bearing to plastic-on-metal. The current study analyzes the rationale for the off-label use of a dual mobility poly insert (MDM X3, Stryker, Mahwah, NJ) in a Birmingham metal shell (Smith & Nephew, Memphis, TN). Based on retrievals from the implant database the study compared the clearance between 20 BHR shells, 31 MDM poly inserts and 24 ADM acetabular components of different sizes. The radial clearance was calculated for each possible combination of implants [n = 81 (MDM/BHR) and n = 119 (MDM/ADM)]. An MDM mobile bearing poly insert in an ADM shell has an average clearance of 0.314 mm (SD 0.031) compared to 0.234 mm (SD 0.030) in a BHR shell (p < 0.01). The minimal clearance is 0.246 and 0.163 mm, respectively. 30.9 % of the MDM/BHR clearances were within the range of the MDM/ADM bearing and 88.9 % had a clearance of more than 0.2 mm. Clearances of the MDM poly insert in a BHR shell are reduced, and although the majority of combinations appear safe, the indication needs to be made on an individual base carefully considering alternative treatment options.

Molybdenum Enzymes, Cofactors, and Model Systems.

ERIC Educational Resources Information Center

Burgmayer, S. J. N; Stiefel, E. I.

1985-01-01

Discusses: (l) molybdoenzymes (examining their distribution and metabolic role, composition and redox strategy, cofactors, substrate reactions, and mechanistic possibilities); (2) structural information on molybdenum (Mo) centers; (3) modeling studies (Mo-co models, nitrogenase models, and the MO-S duo); and (4) the copper-molybdenum antagonism.…

Analysis of repeated signals during shell fights in the hermit crab Pagurus bernhardus

PubMed Central

Briffa, M.; Elwood, R. W.; Dick, J. T. A.

1998-01-01

Shell exchanges between hermit crabs may occur after a period of shell rapping, when the initiating or attacking crab brings its shell rapidly and repeatedly into contact with the shell of the non-initiator or defender, in a series of bouts. There are two opposing models of hermit crab shell exchange and the function of shell rapping. The negotiation model views shell exchange as a mutualistic activity, in which the initiator supplies information about the quality of its shell via the fundamental frequency of the rapping sound. The aggression model views shell rapping as either detrimental to the defending crab, or as providing it with information about the initiator's ability or motivation to continue, or both. The negotiation model makes no predictions about the temporal pattern of rapping, but under the aggression model it would be expected that crabs that rapped more vigorously would be more likely to effect an exchange. Repeating the signal could be expected under either model. Crabs that achieve an exchange rap more vigorously, rapping is more persistent when a clear gain in shell quality may be achieved, and the vigour is greater when the relative resource-holding potential (or 'fighting ability') is high. These findings support the aggression model rather than the negotiation model. Contrary to the predictions of game theory, crabs that do not effect an exchange appear to signal that they are about to give up. The data suggest that rapping is performed repeatedly because the accumulation of all of the performances acts as a signal of stamina.

Investigation on Low Firing Copper for Front Electrode of Si-Based Solar Cell Applications.

PubMed

Chiang, Chen-Su; Wu, Yia-Ming; Lee, Wen-Hsi

2018-04-01

Solar cell is one of the most popular alternative energies. The aim of this study is to construct an ohmic contact between front electrode and Si-based solar cell by a Newly-invented low-cost paste and low temperature sintering process. The core-shell of CucoreAgshell powders were prepared for making high solid content paste, then screen printing the fine line on laser-opening H-pattern silicon substrate and applying firing process. Because the silver coverage is more than 95% and silver nanoparticles start to melt at 200 °C. The shell of nanoparticles of silver not only is used to prevent copper from oxidized, but also connected core Cu particles for enhancing the conductivity of CucoreAgshell. TEM, EDS, SEM were used to examine the microstructure of CucoreAgshell. Fourpoint probe and transmission line model were employed to analyze the sheet resistance and the specific contact resistance. The lowest specific contact resistivity is 0.005 Ωcm2, sheet resistance is 0.0138 Ω/ and the lowest resistivity of front electrode measured is 2.65 × 10-5 Ωcm when CucoreAgshell paste with 94 wt% solid content was fired at 550 °C.

Local configurations and atomic intermixing in as-quenched and annealed Fe1-xCrx and Fe1-xMox ribbons

NASA Astrophysics Data System (ADS)

Stanciu, A. E.; Greculeasa, S. G.; Bartha, C.; Schinteie, G.; Palade, P.; Kuncser, A.; Leca, A.; Filoti, G.; Birsan, A.; Crisan, O.; Kuncser, V.

2018-04-01

Local atomic configuration, phase composition and atomic intermixing in Fe-rich Fe1-xCrx and Fe1-xMox ribbons (x = 0.05, 0.10, 0.15), of potential interest for high-temperature applications and nuclear devices, are investigated in this study in relation to specific processing and annealing routes. The Fe-based thin ribbons have been prepared by induction melting, followed by melt spinning and further annealed in He at temperatures up to 1250 °C. The complex structural, compositional and atomic configuration characterisation has been performed by means of X-ray diffraction (XRD), transmission Mössbauer spectroscopy and differential scanning calorimetry (TG-DSC). The XRD analysis indicates the formation of the desired solid solutions with body-centred cubic (bcc) structure in the as-quenched state. The Mössbauer spectroscopy results have been analysed in terms of the two-shell model. The distribution of Cr/Mo atoms in the first two coordination spheres is not homogeneous, especially after annealing, as supported by the short-range order parameters. In addition, high-temperature annealing treatments give rise to oxidation of Fe (to haematite, maghemite and magnetite) at the surface of the ribbons. Fe1-xCrx alloys are structurally more stable than the Mo counterpart under annealing at 700 °C. Annealing at 1250 °C in He enhances drastically the Cr clustering around Fe nuclei.

3D inversion of SPECTREM and ZTEM airborne electromagnetic data from the Pebble Cu-Au-Mo porphyry deposit, Alaska

NASA Astrophysics Data System (ADS)

Pare, Pascal; Gribenko, Alexander V.; Cox, Leif H.; Čuma, Martin; Wilson, Glenn A.; Zhdanov, Michael S.; Legault, Jean; Smit, Jaco; Polome, Louis

2012-04-01

Geological, geochemical, and geophysical surveys have been conducted in the area of the Pebble Cu-Au-Mo porphyry deposit in south-west Alaska since 1985. This case study compares three-dimensional (3D) inversion results from Anglo American's proprietary SPECTREM 2000 fixed-wing time-domain airborne electromagnetic (AEM) and Geotech's ZTEM airborne audio-frequency magnetics (AFMAG) systems flown over the Pebble deposit. Within the commonality of their physics, 3D inversions of both SPECTREM and ZTEM recover conductivity models consistent with each other and the known geology. Both 3D inversions recover conductors coincident with alteration associated with both Pebble East and Pebble West. The high grade CuEqn 0.6% ore shell is not consistently following the high conductive trend, suggesting that the SPECTREM and ZTEM responses correspond in part to the sulphide distribution, but not directly with the ore mineralization. As in any exploration project, interpretation of both surveys has yielded an improved understanding of the geology, alteration and mineralization of the Pebble system and this will serve well for on-going exploration activities. There are distinct practical advantages to the use of both SPECTREM and ZTEM, so we draw no recommendation for either system. We can conclude however, that 3D inversion of both AEM and ZTEM surveys is now a practical consideration and that it has added value to exploration at Pebble.

Producing radiometals in liquid targets: Proof of feasibility with {sup 94m}Tc

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

Hoehr, C.; Badesso, B.; Morley, T.

2012-12-19

{sup 94m}Tc was produced in a liquid target loaded with a molybdenum-salt solution. This novel technique allows for the irradiation of metals dissolved in a liquid solution, normally only available in metal powder or foil form. By using this approach, the existing liquid targets and transfer infrastructure of many PET cyclotrons can be used to produce radiometals, avoiding the need, expense and challenges of operating solid targets. Such an approach allows for rapid testing of new isotopes for proof of feasibility studies. Different concentrations of Mo solution and their effect on the target performance were tested. Sufficient quantities to allowmore » for preclinical studies were produced.« less

Effects of low pH stress on shell traits and proteomes of the dove snail, Anachis misera inhabiting shallow vent environments off Kueishan Islet, Taiwan

NASA Astrophysics Data System (ADS)

Chen, Y. J.; Wu, J. Y.; Chen, C. T. A.; Liu, L. L.

2014-12-01

The effects of naturally acidified seawater on a snail species, Anachis misera (Family: Columbellidae) were quantified in five shallow vent-based environments off Kueishan Islet, Taiwan. An absence of Anachis snails was observed in the most acidic North site (pH 7.22), and the size structure differed among the remaining East, South, Southwest and Northwest sites. If a positive correlation between shell length and shell width or total weight existed, the coefficient of determination (R2) of the equations was low, i.e., 0.207-0.444. Snails from the Northwest site (pH 7.33) exhibited a more globular shape than those of the South ones (pH 7.80). Standardized shell thickness T1 (thickness of body whorl : shell length) and T2 (thickness of penultimate whorl : shell length) from the Northwest site showed a decrease of 6.3 and 9.4%, respectively, compared to the South ones. In a similar vein, based on the 16 examined protein spots, protein expression profiles of snails in the South were distinct. With further characterization by principle component analysis, the separation was mainly contributed by the first (i.e., spots 8, 1, 15, and 12) and second (i.e., spots 15, 13, 12, 1, and 11) principal-components. As a whole, the shallow vent-based findings provide new information from subtropics on the effects of ocean acidification on gastropod snails in natural environments.

Resource Letter NSM-1: New insights into the nuclear shell model

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

Dean, David Jarvis; Hamilton, J. H.

2011-01-01

This Resource Letter provides a guide to the literature on the spherical shell model as applied to nuclei. The nuclear shell model describes the structure of nuclei starting with a nuclear core developed by the classical neutron and proton magic numbers N,Z=2,8,20,28,50,82, 126, where gaps occur in the single-particle energies as a shell is filled, and the interactions of valence nucleons that reside beyond that core. Various modern extensions of this model for spherical nuclei are likewise described. Significant extensions of the nuclear shell model include new magic numbers for spherical nuclei and now for deformed nuclei as well. Whenmore » both protons and neutrons have shell gaps at the same spherical or deformed shapes, they can reinforce each other to give added stability to that shape and lead to new magic numbers. The vanishings of the classical spherical shell model energy gaps and magic numbers in new neutron-rich nuclei are described. Spherical and deformed shell gaps are seen to be critical for the existence of elements with Z > 100.« less

Isolation and identification of a lethal rhabdovirus from farmed rice field eels Monopterus albus.

PubMed

Ou, Tong; Zhu, Ruo-Lin; Chen, Zhong-Yuan; Zhang, Qi-Ya

2013-11-06

We provide the first description of a virus responsible for a systemic hemorrhagic disease causing high mortality in farmed rice field eels Monopterus albus in China. Typical signs exhibited by the diseased fish were extensive hemorrhages in the skin and viscera and some neurological signs, such as loss of equilibrium and disorganized swimming. Histopathological examination revealed various degrees of necrosis within the spleen and liver. Virus isolation was attempted from visceral tissues of diseased fish by inoculation on 6 fish cell lines. Typical cytopathic effects (CPE) were produced in bluegill fry (BF2) cells, so this cell line was chosen for further isolation and propagation of the virus. Electron microscopy observation showed that the negative stained viral particles had the characteristic bullet shape of rhabdoviruses and an estimated size of 60 × 120 nm. We therefore tentatively refer to this virus as Monopterus albus rhabdovirus (MoARV). Molecular characterization of MoARV, including sequence analysis of the nucleoprotein (N), phosphoprotein (P), and glycoprotein (G) genes, revealed 94.5 to 97.3% amino acid similarity to that of Siniperca chuatsi rhabdovirus. Phylogenetic analysis based on the amino acid sequences of N and G proteins indicated that MoARV should be a member of the genus Vesiculovirus. Koch's postulates were fulfilled by infecting healthy rice field eels with MoARV, which produced an acute infection. RT-PCR analysis demonstrated that MoARV RNA could be detected in both naturally and experimentally infected fish. The data suggest that MoARV was the causative pathogen of the disease.

Self-Recognition Between Two Almost Identical Macroions During Their Assembly: The Effects of pH and Temperature.

PubMed

Haso, Fadi; Li, Dong; Garai, Somenath; Pigga, Joseph M; Liu, Tianbo

2015-09-14

Two Keplerate-type macroions, [Mo(VI) 72 Fe(III) 30 O252 - (CH3 COO)12 {Mo2 O7 (H2 O)}2 {H2 Mo2 O8 (H2 O)}(H2 O)91 ]⋅ca. 150 H2 O= {Mo72 Fe30 } and [{Na(H2 O)12 }⊂{Mo(VI) 72 Cr(III) 30 O252 (CH3 COO)19 - (H2 O)94 }]⋅ca. 120 H2 O={Mo72 Cr30 }, with identical size and shape but different charge density, can self-assemble into spherical "blackberry"-like structures in aqueous solution by means of electrostatic interactions. These two macroanions can self-recognize each other and self-assemble into two separate types of homogeneous blackberries in their mixed dilute aqueous solution, in which they carry -7 and -5 net charges, respectively. Either adjusting the solution pH or raising temperature is expected to make the self-recognition more difficult, by making the charge densities of the two clusters closer, or by decreasing the activation energy barrier for the blackberry formation, respectively. Amazingly, the self-recognition behavior remains, as confirmed by dynamic and static light scattering, TEM, and energy dispersive spectroscopy techniques. The results prove that the self-recognition behavior of the macroions due to the long-range electrostatic interaction is universal and can be achieved when only minimum differences exist between two types of macroanions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

MoSeS: Modelling and Simulation for e-Social Science.

PubMed

Townend, Paul; Xu, Jie; Birkin, Mark; Turner, Andy; Wu, Belinda

2009-07-13

MoSeS (Modelling and Simulation for e-Social Science) is a research node of the National Centre for e-Social Science. MoSeS uses e-Science techniques to execute an events-driven model that simulates discrete demographic processes; this allows us to project the UK population 25 years into the future. This paper describes the architecture, simulation methodology and latest results obtained by MoSeS.

Variable system: An alternative approach for the analysis of mediated moderation.

PubMed

Kwan, Joyce Lok Yin; Chan, Wai

2018-06-01

Mediated moderation (meMO) occurs when the moderation effect of the moderator (W) on the relationship between the independent variable (X) and the dependent variable (Y) is transmitted through a mediator (M). To examine this process empirically, 2 different model specifications (Type I meMO and Type II meMO) have been proposed in the literature. However, both specifications are found to be problematic, either conceptually or statistically. For example, it can be shown that each type of meMO model is statistically equivalent to a particular form of moderated mediation (moME), another process that examines the condition when the indirect effect from X to Y through M varies as a function of W. Consequently, it is difficult for one to differentiate these 2 processes mathematically. This study therefore has 2 objectives. First, we attempt to differentiate moME and meMO by proposing an alternative specification for meMO. Conceptually, this alternative specification is intuitively meaningful and interpretable, and, statistically, it offers meMO a unique representation that is no longer identical to its moME counterpart. Second, using structural equation modeling, we propose an integrated approach for the analysis of meMO as well as for other general types of conditional path models. VS, a computer software program that implements the proposed approach, has been developed to facilitate the analysis of conditional path models for applied researchers. Real examples are considered to illustrate how the proposed approach works in practice and to compare its performance against the traditional methods. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Parameterized Finite Element Modeling and Buckling Analysis of Six Typical Composite Grid Cylindrical Shells

NASA Astrophysics Data System (ADS)

Lai, Changliang; Wang, Junbiao; Liu, Chuang

2014-10-01

Six typical composite grid cylindrical shells are constructed by superimposing three basic types of ribs. Then buckling behavior and structural efficiency of these shells are analyzed under axial compression, pure bending, torsion and transverse bending by finite element (FE) models. The FE models are created by a parametrical FE modeling approach that defines FE models with original natural twisted geometry and orients cross-sections of beam elements exactly. And the approach is parameterized and coded by Patran Command Language (PCL). The demonstrations of FE modeling indicate the program enables efficient generation of FE models and facilitates parametric studies and design of grid shells. Using the program, the effects of helical angles on the buckling behavior of six typical grid cylindrical shells are determined. The results of these studies indicate that the triangle grid and rotated triangle grid cylindrical shell are more efficient than others under axial compression and pure bending, whereas under torsion and transverse bending, the hexagon grid cylindrical shell is most efficient. Additionally, buckling mode shapes are compared and provide an understanding of composite grid cylindrical shells that is useful in preliminary design of such structures.

Uncertainties in the production of p nuclides in thermonuclear supernovae determined by Monte Carlo variations

NASA Astrophysics Data System (ADS)

Nishimura, N.; Rauscher, T.; Hirschi, R.; Murphy, A. St J.; Cescutti, G.; Travaglio, C.

2018-03-01

Thermonuclear supernovae originating from the explosion of a white dwarf accreting mass from a companion star have been suggested as a site for the production of p nuclides. Such nuclei are produced during the explosion, in layers enriched with seed nuclei coming from prior strong s processing. These seeds are transformed into proton-richer isotopes mainly by photodisintegration reactions. Several thousand trajectories from a 2D explosion model were used in a Monte Carlo approach. Temperature-dependent uncertainties were assigned individually to thousands of rates varied simultaneously in post-processing in an extended nuclear reaction network. The uncertainties in the final nuclear abundances originating from uncertainties in the astrophysical reaction rates were determined. In addition to the 35 classical p nuclides, abundance uncertainties were also determined for the radioactive nuclides 92Nb, 97, 98Tc, 146Sm, and for the abundance ratios Y(92Mo)/Y(94Mo), Y(92Nb)/Y(92Mo), Y(97Tc)/Y(98Ru), Y(98Tc)/Y(98Ru), and Y(146Sm)/Y(144Sm), important for Galactic Chemical Evolution studies. Uncertainties found were generally lower than a factor of 2, although most nucleosynthesis flows mainly involve predicted rates with larger uncertainties. The main contribution to the total uncertainties comes from a group of trajectories with high peak density originating from the interior of the exploding white dwarf. The distinction between low-density and high-density trajectories allows more general conclusions to be drawn, also applicable to other simulations of white dwarf explosions.

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

Vakili, Hajar; Rahvar, Sohrab; Kroupa, Pavel, E-mail: vakili@physics.sharif.edu

Shell galaxies are understood to form through the collision of a dwarf galaxy with an elliptical galaxy. Shell structures and kinematics have been noted to be independent tools to measure the gravitational potential of the shell galaxies. We compare theoretically the formation of shells in Type I shell galaxies in different gravity theories in this work because this is so far missing in the literature. We include Newtonian plus dark halo gravity, and two non-Newtonian gravity models, MOG and MOND, in identical initial systems. We investigate the effect of dynamical friction, which by slowing down the dwarf galaxy in themore » dark halo models limits the range of shell radii to low values. Under the same initial conditions, shells appear on a shorter timescale and over a smaller range of distances in the presence of dark matter than in the corresponding non-Newtonian gravity models. If galaxies are embedded in a dark matter halo, then the merging time may be too rapid to allow multi-generation shell formation as required by observed systems because of the large dynamical friction effect. Starting from the same initial state, the observation of small bright shells in the dark halo model should be accompanied by large faint ones, while for the case of MOG, the next shell generation patterns iterate with a specific time delay. The first shell generation pattern shows a degeneracy with the age of the shells and in different theories, but the relative distance of the shells and the shell expansion velocity can break this degeneracy.« less

Template-free synthesis of ordered ZnO@ZnS core-shell arrays for high performance supercapacitors.

PubMed

Yan, Hailong; Li, Tong; Lu, Yang; Cheng, Jinbing; Peng, Tao; Xu, Jinyou; Yang, Linying; Hua, Xiangqiang; Liu, Yunxin; Luo, Yongsong

2016-11-28

In this article, ordered ZnO@ZnS core-shell structures have been produced on a stainless mesh by a two-step approach without using a template. ZnO nanorods fabricated by a chemical vapor method are transferred into a 50 ml autoclave for a second stage ion-exchange reaction followed by heating at 120 °C for 4-16 h. The ZnO core is prepared as the conducting channel and ZnS as the active material. Such unique architecture exhibits remarkable electrochemical performance with high capacitance and desirable cycle life. When evaluating as the electrode for supercapacitors, the ZnO@ZnS core-shell structure delivers a high specific capacitance of 603.8 F g -1 at a current density of 2 A g -1 , with 9.4% capacitance loss after cycling 3000 times. The fabrication strategy presented here is simple and cost-effective, which can open new avenues for large-scale applications of the novel materials in energy storage.

Full f-p Shell Calculation of {sup 51}Ca and {sup 51}Sc

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

Novoselsky, A.; Vallieres, M.; Laadan, O.

The spectra and the electromagnetic transitions of the nuclei {sup 51}Ca and {sup 51}Sc with 11 nucleons in the {ital f-p} shell are described in the nuclear shell-model approach by using two different two-body effective interactions. The full {ital f-p} shell basis functions are used with no truncation. The new parallel shell-model computer code DUPSM (Drexel University parallel shell model), that we recently developed, has been used. The calculations have been done on the MOSIX parallel machine at the Hebrew University of Jerusalem. {copyright} {ital 1997} {ital The American Physical Society}

The limits of hamiltonian structures in three-dimensional elasticity, shells, and rods

NASA Astrophysics Data System (ADS)

Ge, Z.; Kruse, H. P.; Marsden, J. E.

1996-01-01

This paper uses Hamiltonian structures to study the problem of the limit of three-dimensional (3D) elastic models to shell and rod models. In the case of shells, we show that the Hamiltonian structure for a three-dimensional elastic body converges, in a sense made precise, to that for a shell model described by a one-director Cosserat surface as the thickness goes to zero. We study limiting procedures that give rise to unconstrained as well as constrained Cosserat director models. The case of a rod is also considered and similar convergence results are established, with the limiting model being a geometrically exact director rod model (in the framework developed by Antman, Simo, and coworkers). The resulting model may or may not have constraints, depending on the nature of the constitutive relations and their behavior under the limiting procedure. The closeness of Hamiltonian structures is measured by the closeness of Poisson brackets on certain classes of functions, as well as the Hamiltonians. This provides one way of justifying the dynamic one-director model for shells. Another way of stating the convergence result is that there is an almost-Poisson embedding from the phase space of the shell to the phase space of the 3D elastic body, which implies that, in the sense of Hamiltonian structures, the dynamics of the elastic body is close to that of the shell. The constitutive equations of the 3D model and their behavior as the thickness tends to zero dictates whether the limiting 2D model is a constrained or an unconstrained director model. We apply our theory in the specific case of a 3D Saint Venant-Kirchhoff material and derive the corresponding limiting shell and rod theories. The limiting shell model is an interesting Kirchhoff-like shell model in which the stored energy function is explicitly derived in terms of the shell curvature. For rods, one gets (with an additional inextensibility constraint) a one-director Kirchhoff elastic rod model, which reduces to the well-known Euler elastica if one adds an additional single constraint that the director lines up with the Frenet frame.

Effects of cluster-shell competition and BCS-like pairing in 12C

NASA Astrophysics Data System (ADS)

Matsuno, H.; Itagaki, N.

2017-12-01

The antisymmetrized quasi-cluster model (AQCM) was proposed to describe α-cluster and jj-coupling shell models on the same footing. In this model, the cluster-shell transition is characterized by two parameters, R representing the distance between α clusters and Λ describing the breaking of α clusters, and the contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with the α-cluster model wave function. Not only the closure configurations of the major shells but also the subclosure configurations of the jj-coupling shell model can be described starting with the α-cluster model wave functions; however, the particle-hole excitations of single particles have not been fully established yet. In this study we show that the framework of AQCM can be extended even to the states with the character of single-particle excitations. For ^{12}C, two-particle-two-hole (2p2h) excitations from the subclosure configuration of 0p_{3/2} corresponding to a BCS-like pairing are described, and these shell model states are coupled with the three α-cluster model wave functions. The correlation energy from the optimal configuration can be estimated not only in the cluster part but also in the shell model part. We try to pave the way to establish a generalized description of the nuclear structure.

Development of multilayer perceptron networks for isothermal time temperature transformation prediction of U-Mo-X alloys

NASA Astrophysics Data System (ADS)

Johns, Jesse M.; Burkes, Douglas

2017-07-01

In this work, a multilayered perceptron (MLP) network is used to develop predictive isothermal time-temperature-transformation (TTT) models covering a range of U-Mo binary and ternary alloys. The selected ternary alloys for model development are U-Mo-Ru, U-Mo-Nb, U-Mo-Zr, U-Mo-Cr, and U-Mo-Re. These model's ability to predict 'novel' U-Mo alloys is shown quite well despite the discrepancies between literature sources for similar alloys which likely arise from different thermal-mechanical processing conditions. These models are developed with the primary purpose of informing experimental decisions. Additional experimental insight is necessary in order to reduce the number of experiments required to isolate ideal alloys. These models allow test planners to evaluate areas of experimental interest; once initial tests are conducted, the model can be updated and further improve follow-on testing decisions. The model also improves analysis capabilities by reducing the number of data points necessary from any particular test. For example, if one or two isotherms are measured during a test, the model can construct the rest of the TTT curve over a wide range of temperature and time. This modeling capability reduces the cost of experiments while also improving the value of the results from the tests. The reduced costs could result in improved material characterization and therefore improved fundamental understanding of TTT dynamics. As additional understanding of phenomena driving TTTs is acquired, this type of MLP model can be used to populate unknowns (such as material impurity and other thermal mechanical properties) from past literature sources.

Distinct Optoelectronic Signatures for Charge Transfer and Energy Transfer in Quantum Dot-MoS 2 Hybrid Photodetectors Revealed by Photocurrent Imaging Microscopy

DOE PAGES

Li, Mingxing; Chen, Jia-Shiang; Routh, Prahlad K.; ...

2018-05-17

Atomically thin transition metal dichalcogenides (TMDCs) have intriguing nanoscale properties like high charge mobility, photosensitivity, layer-thickness-dependent bandgap, and mechanical flexibility, which are all appealing for the development of next generation optoelectronic, catalytic, and sensory devices. Their atomically thin thickness, however, renders TMDCs poor absorptivity. For this study, bilayer MoS 2 is combined with core-only CdSe QDs and core/shell CdSe/ZnS QDs to obtain hybrids with increased light harvesting and exhibiting interfacial charge transfer (CT) and nonradiative energy transfer (NET), respectively. Field-effect transistors based on these hybrids and their responses to varying laser power and applied gate voltage are investigated with scanningmore » photocurrent microscopy (SPCM) in view of their potential utilization in light harvesting and photodetector applications. CdSe–MoS 2 hybrids are found to exhibit encouraging properties for photodetectors, like high responsivity and fast on/off response under low light exposure while CdSe/ZnS–MoS 2 hybrids show enhanced charge carrier generation with increased light exposure, thus suitable for photovoltaics. While distinguishing optically between CT and NET in QD–TMDCs is nontrivial, it is found that they can be differentiated by SPCM as these two processes exhibit distinctive light-intensity dependencies: CT causes a photogating effect, decreasing the photocurrent response with increasing light power while NET increases the photocurrent response with increasing light power, opposite to CT case.« less

Distinct Optoelectronic Signatures for Charge Transfer and Energy Transfer in Quantum Dot-MoS 2 Hybrid Photodetectors Revealed by Photocurrent Imaging Microscopy

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

Li, Mingxing; Chen, Jia-Shiang; Routh, Prahlad K.

Atomically thin transition metal dichalcogenides (TMDCs) have intriguing nanoscale properties like high charge mobility, photosensitivity, layer-thickness-dependent bandgap, and mechanical flexibility, which are all appealing for the development of next generation optoelectronic, catalytic, and sensory devices. Their atomically thin thickness, however, renders TMDCs poor absorptivity. For this study, bilayer MoS 2 is combined with core-only CdSe QDs and core/shell CdSe/ZnS QDs to obtain hybrids with increased light harvesting and exhibiting interfacial charge transfer (CT) and nonradiative energy transfer (NET), respectively. Field-effect transistors based on these hybrids and their responses to varying laser power and applied gate voltage are investigated with scanningmore » photocurrent microscopy (SPCM) in view of their potential utilization in light harvesting and photodetector applications. CdSe–MoS 2 hybrids are found to exhibit encouraging properties for photodetectors, like high responsivity and fast on/off response under low light exposure while CdSe/ZnS–MoS 2 hybrids show enhanced charge carrier generation with increased light exposure, thus suitable for photovoltaics. While distinguishing optically between CT and NET in QD–TMDCs is nontrivial, it is found that they can be differentiated by SPCM as these two processes exhibit distinctive light-intensity dependencies: CT causes a photogating effect, decreasing the photocurrent response with increasing light power while NET increases the photocurrent response with increasing light power, opposite to CT case.« less

Some preliminary calculations of whole atom Compton scattering of unpolarized photons

NASA Astrophysics Data System (ADS)

Bergstrom, P. M.; Surić, T.; Pisk, K.; Pratt, R. H.

1992-07-01

This paper represents a preliminary attempt to develop a practical prescription for calculating whole atom cross sections for the Compton scattering of unpolarized photons from the bound electrons of an atom for the entire spectrum of scattered photon energies. We initially study the scattering of 2.94 keV photons from carbon. We make use of our new second order S-matrix computer code in this case to verify that, when our recently developed criterion for the validity of the relativistic impulse approximation (which concerns the average momentum contributing to the photon spectrum ( pav)) is satisfied, the spectrum is adequately described by the impulse approximation. This criterion is generally satisfied in the peak intensity region for scattering by the outer shells, which dominate at these scattered photon energies. For soft scattered photons, however, the spectrum, dominated by K shell contributions, is given by terms corresponding to the contribution of the " p· A" term in the nonrelativistic interaction Hamiltonian, not included in the impulse approximation. Here, the spectrum is adequately reproduced by the K shell contribution. We then consider scattering of 17.4 keV photons from aluminum and 279.1 keV photons from lead. In these cases we use the S-matrix for the K shell and the impulse approximation for the outer shells, and find good agreement with experiment.

Highly selective coextraction of rhodamine B and dibenzyl phthalate based on high-density dual-template imprinted shells on silica microparticles.

PubMed

Long, Zerong; Xu, Weiwei; Peng, Yumei; Lu, Yi; Luo, Qian; Qiu, Hongdeng

2017-01-01

A simple one-pot approach based on molecularly imprinted polymer shells dispersed on the surface of silica for simultaneous determination of rhodamine B and dibenzyl phthalate (DBzP) has been developed. Highly dense molecularly imprinted polymer shells were formed in the mixture of acetonitrile and toluene by the copolymerization of methacrylic acid and ethylene glycol dimethacrylate, as well as two templates, rhodamine B and dibenzyl phthalate, directed by the vinyl end groups functional monolayer at surface silica microspheres after 3-methacryloxypropyl trimethoxysilane modification. The obtained imprinted polymer shells showed large average pore diameter (102.5 nm) and about 100 nm shell thickness. The imprinted particles also showed high imprinting factor (α RhB = 3.52 and α DBzP = 3.94), rapid binding kinetics, and excellent selective affinity capacity for rhodamine B and dibenzyl phthalate containing another three competitors in mixed solution. Moreover, the imprinted particles coupled with ultra high performance liquid chromatography was successfully applied to simultaneous analysis of rhodamine B and dibenzyl phthalate in two spiked beverage samples with average recoveries in the range of 88.0-93.0% for rhodamine B and 84.0-92.0% for dibenzyl phthalate with the relative standard deviation lower than 5.1%. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Middle cerebral artery peak systolic velocity to predict fetal hemoglobin levels in twin anemia-polycythemia sequence.

PubMed

Slaghekke, F; Pasman, S; Veujoz, M; Middeldorp, J M; Lewi, L; Devlieger, R; Favre, R; Lopriore, E; Oepkes, D

2015-10-01

To evaluate the diagnostic accuracy of middle cerebral artery peak systolic velocity (MCA-PSV) Doppler measurements in prediction of hemoglobin levels in twin anemia-polycythemia sequence (TAPS). This study involved a consecutive cohort comprising monochorionic twin pregnancies complicated by TAPS managed at three European fetal medicine centers between 2005 and 2013. The accuracy of MCA-PSV, measured immediately prior to fetal hemoglobin (Hb) measurement by fetal or cord blood sampling, for prediction of anemia and polycythemia was assessed using 2 × 2 tables. A total of 116 measurements (74 recorded in donors and 42 in recipients) from 43 twin pregnancies complicated by TAPS were available for analysis. MCA-PSV multiples of the median (MoM) values correlated well with Hb levels (r = - 0.86; P < 0.001). The sensitivity of MCA-PSV ≥ 1.5 MoM to predict severe anemia (Hb deficit > 5 SD below the mean) in TAPS donors was 94% (95% CI, 85-98%); specificity was 74% (95% CI, 62-83%); positive and negative predictive values were 76% (95% CI, 65-85%) and 94% (95% CI, 83-98%), respectively. The sensitivity of MCA-PSV ≤ 1.0 MoM to predict polycythemia (Hb level > 5 SD above the mean) in TAPS recipients was 97% (95% CI, 87-99%); specificity was 96% (95% CI, 89-99%); positive and negative predictive values were 93% (95% CI, 81-97%) and 99% (95% CI, 93-100%), respectively. MCA-PSV measurement has high diagnostic accuracy for predicting abnormal Hb levels in fetuses with TAPS. Copyright © 2015 ISUOG. Published by John Wiley & Sons Ltd.

CDC Kerala 3: At-risk baby clinic service using different screening tools--outcome at 12 months using Developmental Assessment Scale for Indian Infants.

PubMed

Nair, M K C; Krishnan, Rajee; Harikumaran Nair, G S; George, Babu; Bhaskaran, Deepa; Leena, M L; Russell, Paul Swamidhas Sudhakar

2014-12-01

To describe CDC Kerala experience of establishing an at-risk baby clinic and the comparison of different developmental screening tools at 12 mo against the gold standard Developmental Assessment Scale for Indian Infants (DASII). At risk baby clinic of CDC, Kerala was established as a facility for follow up of NICU graduates from Sree Avittam Thirunal Hospital at 2, 4, 6, 8 and 12 mo corrected age and during each visit the mother is taught the CDC model early stimulation by developmental therapists and encouraged to continue to do the same at home. At 12 mo, assessment results of four simple developmental tools were compared with the gold standard DASII administered by a senior developmental therapist. Out of a total of 800 babies, outcome measurements at 12 mo were available for 604 infants. The prevalence of developmental delay using the screening tools, CDC grading for standing, Amiel Tison angles and DDST II (Denver II) gross motor were 24.8, 24 and 24.3% respectively and using DASII, a diagnostic tool (13.3%). Also the combination of Amiel Tison angles, CDC standing grading and DDST gross motor against DASII motor DQ had high specificity (94.15%) and negative predictive value (NPV) (70.18%) but with a very low sensitivity of 14.58% and low positive predictive value (PPV) of 53.85%. It was observed that a significant odds ratio for DASII mental deviation quotient (DQ) was seen for neonatal seizures (2.34) and low birth weight (1.49). The prevalence of developmental delay using the screening tools, CDC grading for standing, Amiel Tison angles and DDST II (Denver II) gross motor were 24.8, 24 and 24.3% respectively and together they had a high specificity, NPV and accuracy against DASII motor DQ as gold standard at one year assessment.

Bright-field electron tomography of individual inorganic fullerene-like structures.

PubMed

Bar Sadan, Maya; Wolf, Sharon G; Houben, Lothar

2010-03-01

Nanotubes and fullerene-like nanoparticles of various inorganic layered compounds have been studied extensively in recent years. Their characterisation on the atomic scale has proven essential for progress in synthesis as well as for the theoretical modelling of their physical properties. We show that with electron tomography it is possible to achieve a reliable reconstruction of the 3D structure of nested WS(2) or MoS(2) fullerene-like and nanotube structures with sub-nanometre resolution using electron microscopes that are not aberration-corrected. Model-based simulations were used to identify imaging parameters, under which structural features such as the shell structure can be retained in the tomogram reconstructed from bright-field micrographs. The isolation of a particle out of an agglomerate for the analysis of a single structure and its interconnection with other particles is facilitated through the tomograms. The internal structure of the layers within the particle alongside the shape and content of its internal void are reconstructed. The tomographic reconstruction yields insights regarding the growth process as well as structural defects, such as non-continuous layers, which relate to the lubrication properties.

Steady state model for the thermal regimes of shells of airships and hot air balloons

NASA Astrophysics Data System (ADS)

Luchev, Oleg A.

1992-10-01

A steady state model of the temperature regime of airships and hot air balloons shells is developed. The model includes three governing equations: the equation of the temperature field of airships or balloons shell, the integral equation for the radiative fluxes on the internal surface of the shell, and the integral equation for the natural convective heat exchange between the shell and the internal gas. In the model the following radiative fluxes on the shell external surface are considered: the direct and the earth reflected solar radiation, the diffuse solar radiation, the infrared radiation of the earth surface and that of the atmosphere. For the calculations of the infrared external radiation the model of the plane layer of the atmosphere is used. The convective heat transfer on the external surface of the shell is considered for the cases of the forced and the natural convection. To solve the mentioned set of the equations the numerical iterative procedure is developed. The model and the numerical procedure are used for the simulation study of the temperature fields of an airship shell under the forced and the natural convective heat transfer.

Microscopic Shell Model Calculations for sd-Shell Nuclei

NASA Astrophysics Data System (ADS)

Barrett, Bruce R.; Dikmen, Erdal; Maris, Pieter; Shirokov, Andrey M.; Smirnova, Nadya A.; Vary, James P.

Several techniques now exist for performing detailed and accurate calculations of the structure of light nuclei, i.e., A ≤ 16. Going to heavier nuclei requires new techniques or extensions of old ones. One of these is the so-called No Core Shell Model (NCSM) with a Core approach, which involves an Okubo-Lee-Suzuki (OLS) transformation of a converged NCSM result into a single major shell, such as the sd-shell. The obtained effective two-body matrix elements can be separated into core and single-particle (s.p.) energies plus residual two-body interactions, which can be used for performing standard shell-model (SSM) calculations. As an example, an application of this procedure will be given for nuclei at the beginning ofthe sd-shell.

Improvement of Progressive Damage Model to Predicting Crashworthy Composite Corrugated Plate

NASA Astrophysics Data System (ADS)

Ren, Yiru; Jiang, Hongyong; Ji, Wenyuan; Zhang, Hanyu; Xiang, Jinwu; Yuan, Fuh-Gwo

2018-02-01

To predict the crashworthy composite corrugated plate, different single and stacked shell models are evaluated and compared, and a stacked shell progressive damage model combined with continuum damage mechanics is proposed and investigated. To simulate and predict the failure behavior, both of the intra- and inter- laminar failure behavior are considered. The tiebreak contact method, 1D spot weld element and cohesive element are adopted in stacked shell model, and a surface-based cohesive behavior is used to capture delamination in the proposed model. The impact load and failure behavior of purposed and conventional progressive damage models are demonstrated. Results show that the single shell could simulate the impact load curve without the delamination simulation ability. The general stacked shell model could simulate the interlaminar failure behavior. The improved stacked shell model with continuum damage mechanics and cohesive element not only agree well with the impact load, but also capture the fiber, matrix debonding, and interlaminar failure of composite structure.

Distal biceps tendon rupture reconstruction using muscle-splitting double-incision approach

PubMed Central

Tarallo, Luigi; Mugnai, Raffaele; Zambianchi, Francesco; Adani, Roberto; Catani, Fabio

2014-01-01

AIM: To evaluate the clinical and functional results after repair of distal biceps tendon tears, following the Morrey’s modified double-incision approach. METHODS: We retrospectively reviewed 47 patients with distal rupture of biceps brachii treated between 2003 and 2012 in our Orthopedic Department with muscle-splitting double-incision technique. Outcome measures included the Mayo elbow performance, the DASH questionnaire, patient’s satisfaction, elbow and forearm motion, grip strength and complications occurrence. RESULTS: At an average 18 mo follow-up (range, 7 mo-10 years) the average Mayo elbow performance and DASH score were respectively 97.2 and 4.8. The elbow flexion range was 94%, extension was -2°, supination was 93% and pronation 96% compared with the uninjured limb. The mean grip strength, expressed as percentage of respective contralateral limb, was 83%. The average patient satisfaction rating on a Likert scale (from 0 to 10) was 9.4. The following complications were observed: 3 cases of heterotopic ossification (6.4%), one (2.1%) re-rupture of the tendon at the site of reattachment and 2 cases (4.3%) of posterior interosseous nerve palsy. No complication required further surgical treatment. CONCLUSION: This technique allows an anatomic reattachment of distal biceps tendon at the radial tuberosity providing full functional recovery with low complication rate. PMID:25133147

First trimester sex hormone-binding globulin and subsequent development of preeclampsia or other adverse pregnancy outcomes.

PubMed

Spencer, Kevin; Yu, Christina K H; Rembouskos, George; Bindra, Renu; Nicolaides, Kypros H

2005-01-01

To investigate whether first trimester maternal serum sex hormone-binding globulin (SHBG) concentrations are altered in women who subsequently develop preeclampsia or other pregnancy complications. Women undergoing first trimester combined ultrasound and biochemical screening for chromosomal anomalies. We searched the database and identified 32 pregnancies resulting in miscarriage, 64 pregnancies with preexisting or gestational diabetes mellitus, 107 with fetal growth restriction, 103 with preeclampsia, 64 with pregnancy-induced hypertension, and 26 with spontaneous preterm delivery. We also selected 400 controls from among the population of pregnancies that had a delivery of a normal baby with no pregnancy complications. Maternal serum SHBG concentrations were measured retrospectively using a competitive chemiluminescent immunoassay. The levels between those with normal outcome and those resulting in adverse outcome were compared. The median maternal serum SHBG concentration was not significantly different from controls, in those that subsequently developed preeclampsia (median MoM 1.05), non-proteinuric hypertension (median MoM 0.94) or preterm delivery (median MoM 1.15). The levels were significantly lower in those with diabetes (median MoM, 0.81 p=0.0005) and those pregnancies resulting in miscarriage (median MoM 0.80, p=0.008). First trimester maternal serum SHBG concentrations are no different from controls in women who subsequently develop preeclampsia, pregnancy-induced hypertension, fetal growth restriction, or preterm delivery. Levels are reduced in those who subsequently miscarry or in those presenting with diabetes.

The use of Moringa oleifera seed as a natural coagulant for wastewater treatment and heavy metals removal

NASA Astrophysics Data System (ADS)

Shan, Tan Chu; Matar, Manaf Al; Makky, Essam A.; Ali, Eman N.

2017-06-01

Moringa oleifera (MO) is a multipurpose tree with considerable potential and its cultivation is currently being actively promoted in many developing countries. Seeds of this tropical tree contain water-soluble, positively charged proteins that act as an effective coagulant for water and wastewater treatment. Based on this, water quality of "Sungai baluk" river was examined before and after the treatment using MO seed. MO seed exhibited high efficiency in the reduction and prevention of the bacterial growth in both wastewater and "Sungai baluk" river samples. The turbidity was removed up to 85-94% and dissolved oxygen (DO) was improved from 2.58 ± 0.01 to 4.00 ± 0.00 mg/L. The chemical oxygen demand (COD) and biological oxygen demand (BOD) were increased after the treatment from 99.5 ± 0.71 to 164.0 ± 2.83 mg/L for COD and from 48.00 ± 0.42 to 76.65 ± 2.33 mg/L for BOD, respectively. Nevertheless, there was no significant alteration of pH, conductivity, salinity and total dissolved solid after the treatment. Heavy metals such as Fe were fully eliminated, whereas Cu and Cd were successfully removed by up to 98%. The reduction of Pb was also achieved by up to 78.1%. Overall, 1% of MO seed cake was enough to remove heavy metals from the water samples. This preliminary laboratory result confirms the great potential of MO seed in wastewater treatment applications.

[The systemic approach to the rehabilitation of the patients presenting with laryngeal cancer after the resection of the organ and laryngectomy with tracheoesophageal by-pass and endoprosthetics].

PubMed

Kryukov, A I; Reshetov, I V; Kozhanov, L G; Sdvizhkov, A M; Kozhanov, A L

The objective of the present study was to enhance the effectiveness of rehabilitation of the patients presenting with laryngeal cancer after the resection of the organ and laryngotomy with tracheoesophageal by-pass and endoprosthetics. Our experience in this field is based on the treatment of 102 patients. They were distributed by the nosological forms as follows: primary laryngeal cancer in 97 patients including T1NoMo - 8 (8.2%), T2NoMo - 63 (65%), T3NoMo - 18 (17.6%), T2N1Mo - 1 (0.9%), T4NoMo - 3 (2.9%), and T4N1M0 - 4 (3.9%), root of the tongue cancer spreading over the vestibular part of the larynx in one patient, laryngeal sarcoma in one patient, relapse of cancer following the full-dose radiotherapy and organ-sparing surgery in 3 patients. Laryngeal resection was performed in 83 patients; 19 patients underwent laryngectomy with tracheoesophageal by-pass and endoprosthetics using a domestically manufactured voice prosthesis. The systemic approach to the rehabilitation of the patients and the use of the proposed treatment algorithm made it possible to restore the function of the larynx by means of organ-sparing surgery in 79 (95.1%) of the 83 patients. The vocal function in the patients following laryngectomy with tracheoesophageal by-pass and endoprosthetics was restored in 18 (94.7%) of the 19 patients.

Persistence of antibodies in adolescents 18−24 months after immunization with one, two, or three doses of 4CMenB meningococcal serogroup B vaccine

PubMed Central

Santolaya, Maria Elena; O'Ryan, Miguel; Valenzuela, María Teresa; Prado, Valeria; Vergara, Rodrigo F; Muñoz, Alma; Toneatto, Daniela; Graña, Gabriela; Wang, Huajun; Dull, Peter M

2013-01-01

We previously demonstrated the immunogenicity and tolerability of the serogroup B meningococcal vaccine, 4CMenB (Bexsero®), in 11−17 y-olds randomized to receive 1, 2, or 3 doses at 1, 2, or 6 mo intervals. Participants in this extension study provided an additional blood sample 18−24 mo after last vaccine dose, to assess persistence of serum bactericidal activity with human complement (hSBA), and to compare with age-matched 4CMenB-naïve controls. In the original study, one month after one 4CMenB dose, 93% of subjects had seroprotective hSBA titers (≥4) against indicator serogroup B strains for individual vaccine antigens (fHbp, NadA and NZOMV), increasing to ~100% after two or three doses. After 18−24 mo, 62−73% of subjects given one dose had titers ≥4 against the three antigens, significantly lower rates than after two (77−94%) or three (86−97%) doses. Only proportions with titers ≥ 4 against NZOMV were significantly different between the two (77%) and three (90%, p < 0.0001) dose groups. These results confirm that two doses of 4CMenB, administered 1 to 6 mo apart, provide good levels of bactericidal activity against serogroup B meningococci, which were sustained at least 18−24 mo in over 64% of adolescents for all three tested vaccine-related antigens. PMID:23811804

Passive characterization of hydrofracture properties using signals from hydraulic pumps

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

Rector III, J.W.; Dong, Q.; Patzek, T.W.

1999-01-02

Massive hydraulic fracturing is used to enhance production from the low-permeability diatomite fields of Kern County, CA. Although critical for designing injection and recovery well patterns, the in-situ hydraulic fracture geometry is poorly understood. In 1990, Shell conducted an extensive seismic monitoring experiment on several hydrofractures prior to a steam drive pilot to characterize hydrofracture geometry. The seismic data were recorded by cemented downhole geophone arrays in three observation holes (MO-1, MO-2, and MO-3) located near the hydraulic fracture treatment wells. Using lowpass filtering and moveout analysis, events in the geophone recordings are identified as conical shear waves radiating frommore » tube waves traveling down the treatment well. These events appear to be created by the hydraulic pumps, since their amplitudes are correlated with the injection rate and the wellhead pressure. Conical wave amplitudes are related to the tube wave attenuation in the treatment well and to wave-propagation characteristics of the shear component traveling in the earth. During the main fracturing stage, geophones above the fracture zone for wells MO-1 and MO-2 (both roughly along the inferred vertical fracture plane) exhibited conical-wave amplitude increases that are caused by shear wave reflection/scattering off the top of a fracture zone. From changes in the reflection amplitude as a function of depth, we interpret that the fracture zone initially extends along a confined vertical plane at a depth that correlates with many of the microseismic events. Toward the end of the main fracturing stage, the fracture zone extends upward and also extends in width, although we cannot determine the dimensions of the fracture from the reflection amplitudes alone. For all wells, we observe that the reflection (and what we infer to be the initial fracture) begins during a time period where no marked change in fracture pressure or injection rate or slurry concentration is observed. As the main fracturing stage progressed, we observed a significant decrease in amplitude for geophones below the top of the fracture zone. The attenuation was most pronounced for wells MO-1 and MO-2 (along the fracture plane). However, near the end of the main stage, well MO-3 also exhibited a significant amplitude decrease, suggesting the development of a fractured ''process zone'' around the main fracture plane. In addition, well MO-3 also exhibited an amplitude decrease in an interval well below the initial fracture zone. Both the interval and the direction (toward MO-3) correspond with temperature log increases observed during later steam injection.« less

Application of the Shell/3D Modeling Technique for the Analysis of Skin-Stiffener Debond Specimens

NASA Technical Reports Server (NTRS)

Krueger, Ronald; O'Brien, T. Kevin; Minguet, Pierre J.

2002-01-01

The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to three-point bending is demonstrated. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to capture the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/13D simulations were in good agreement with results obtained from full solid models. The good correlations of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents.

Electronic transport properties of inner and outer shells in near ohmic-contacted double-walled carbon nanotube transistors

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

Zhang, Yuchun; Zhou, Liyan; Zhao, Shangqian

2014-06-14

We investigate electronic transport properties of field-effect transistors based on double-walled carbon nanotubes, of which inner shells are metallic and outer shells are semiconducting. When both shells are turned on, electron-phonon scattering is found to be the dominant phenomenon. On the other hand, when outer semiconducting shells are turned off, a zero-bias anomaly emerges in the dependence of differential conductance on the bias voltage, which is characterized according to the Tomonaga-Luttinger liquid model describing tunneling into one-dimensional materials. We attribute these behaviors to different contact conditions for outer and inner shells of the double-walled carbon nanotubes. A simple model combiningmore » Luttinger liquid model for inner metallic shells and electron-phonon scattering in outer semiconducting shells is given here to explain our transport data at different temperatures.« less

Propagation of flexural and membrane waves with fluid loaded NASTRAN plate and shell elements

NASA Technical Reports Server (NTRS)

Kalinowski, A. J.; Wagner, C. A.

1983-01-01

Modeling of flexural and membrane type waves existing in various submerged (or in vacuo) plate and/or shell finite element models that are excited with steady state type harmonic loadings proportioned to e(i omega t) is discussed. Only thin walled plates and shells are treated wherein rotary inertia and shear correction factors are not included. More specifically, the issue of determining the shell or plate mesh size needed to represent the spatial distribution of the plate or shell response is of prime importance towards successfully representing the solution to the problem at hand. To this end, a procedure is presented for establishing guide lines for determining the mesh size based on a simple test model that can be used for a variety of plate and shell configurations such as, cylindrical shells with water loading, cylindrical shells in vacuo, plates with water loading, and plates in vacuo. The procedure for doing these four cases is given, with specific numerical examples present only for the cylindrical shell case.

Rhenium in ores of the Mikheevskoe porphyry Cu-Mo deposit, South Urals

NASA Astrophysics Data System (ADS)

Plotinskaya, O. Yu.; Grabezhev, A. I.; Seltmann, R.

2015-03-01

The distribution of Re in ores of the Mikheevskoe Mo-Cu deposit in the South Urals is studied. It is established that the grade of Re in the ores usually does not exceed 0.5 g/t. A positive correlation between concentrations of Re and Mo (correlation coefficient 0.94), and Re and Cu (correlation coefficient 0.52) is found. EMPA of individual flakes of molybdenite showed that a Re content higher than the detection limit has been measured in most flakes studied, as a rule as high as 0.4-0.5 wt %, but occasionally reaching 1.34 wt %. Re within flakes of molybdenite is irregularly distributed. Patchy, linear, and concentric-zoned patterns of zones with elevated Re content (usually 0.5-1 wt % Re, sometimes higher) are found against the lower content (up to 0.2 wt % Re) that is regularly distributed within the flake. Later hydrothermal processes and mechanical deformation of flakes result in epigenetic Re redistribution in molybdenite that leads to homogenization of molybdenite composition and smoothing of primary pattern, or removal of Re from molybdenite.

Experimental analysis and numerical modeling of mollusk shells as a three dimensional integrated volume.

PubMed

Faghih Shojaei, M; Mohammadi, V; Rajabi, H; Darvizeh, A

2012-12-01

In this paper, a new numerical technique is presented to accurately model the geometrical and mechanical features of mollusk shells as a three dimensional (3D) integrated volume. For this purpose, the Newton method is used to solve the nonlinear equations of shell surfaces. The points of intersection on the shell surface are identified and the extra interior parts are removed. Meshing process is accomplished with respect to the coordinate of each point of intersection. The final 3D generated mesh models perfectly describe the spatial configuration of the mollusk shells. Moreover, the computational model perfectly matches with the actual interior geometry of the shells as well as their exterior architecture. The direct generation technique is employed to generate a 3D finite element (FE) model in ANSYS 11. X-ray images are taken to show the close similarity of the interior geometry of the models and the actual samples. A scanning electron microscope (SEM) is used to provide information on the microstructure of the shells. In addition, a set of compression tests were performed on gastropod shell specimens to obtain their ultimate compressive strength. A close agreement between experimental data and the relevant numerical results is demonstrated. Copyright © 2012 Elsevier Ltd. All rights reserved.

Development of multilayer perceptron networks for isothermal time temperature transformation prediction of U-Mo-X alloys

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

Johns, Jesse M.; Burkes, Douglas

In this work, a multilayered perceptron (MLP) network is used to develop predictive isothermal time-temperature-transformation (TTT) models covering a range of U-Mo binary and ternary alloys. The selected ternary alloys for model development are U-Mo-Ru, U-Mo-Nb, U-Mo-Zr, U-Mo-Cr, and U-Mo-Re. These model’s ability to predict 'novel' U-Mo alloys is shown quite well despite the discrepancies between literature sources for similar alloys which likely arise from different thermal-mechanical processing conditions. These models are developed with the primary purpose of informing experimental decisions. Additional experimental insight is necessary in order to reduce the number of experiments required to isolate ideal alloys. Thesemore » models allow test planners to evaluate areas of experimental interest; once initial tests are conducted, the model can be updated and further improve follow-on testing decisions. The model also improves analysis capabilities by reducing the number of data points necessary from any particular test. For example, if one or two isotherms are measured during a test, the model can construct the rest of the TTT curve over a wide range of temperature and time. This modeling capability reduces the cost of experiments while also improving the value of the results from the tests. The reduced costs could result in improved material characterization and therefore improved fundamental understanding of TTT dynamics. As additional understanding of phenomena driving TTTs is acquired, this type of MLP model can be used to populate unknowns (such as material impurity and other thermal mechanical properties) from past literature sources.« less

A Method for Quantifying, Visualising, and Analysing Gastropod Shell Form

PubMed Central

Liew, Thor-Seng; Schilthuizen, Menno

2016-01-01

Quantitative analysis of organismal form is an important component for almost every branch of biology. Although generally considered an easily-measurable structure, the quantification of gastropod shell form is still a challenge because many shells lack homologous structures and have a spiral form that is difficult to capture with linear measurements. In view of this, we adopt the idea of theoretical modelling of shell form, in which the shell form is the product of aperture ontogeny profiles in terms of aperture growth trajectory that is quantified as curvature and torsion, and of aperture form that is represented by size and shape. We develop a workflow for the analysis of shell forms based on the aperture ontogeny profile, starting from the procedure of data preparation (retopologising the shell model), via data acquisition (calculation of aperture growth trajectory, aperture form and ontogeny axis), and data presentation (qualitative comparison between shell forms) and ending with data analysis (quantitative comparison between shell forms). We evaluate our methods on representative shells of the genera Opisthostoma and Plectostoma, which exhibit great variability in shell form. The outcome suggests that our method is a robust, reproducible, and versatile approach for the analysis of shell form. Finally, we propose several potential applications of our methods in functional morphology, theoretical modelling, taxonomy, and evolutionary biology. PMID:27280463

The continuous and discrete molecular orbital x-ray bands from Xe(q+) (12≤q≤29) +Zn collisions.

PubMed

Guo, Yipan; Yang, Zhihu; Hu, Bitao; Wang, Xiangli; Song, Zhangyong; Xu, Qiumei; Zhang, Boli; Chen, Jing; Yang, Bian; Yang, Jie

2016-07-29

In this paper, the x-ray emissions are measured by the interaction of 1500-3500 keV Xe(q+) (q = 12, 15, 17, 19, 21, 23, 26 and 29) ions with Zn target. When q < 29, we observe Ll, Lα, Lβ1, Lβ2 and Lγ characteristic x-rays from Xe(q+) ions and a broad M-shell molecular orbital (MO) x-ray band from the transient quasi-molecular levels. It is found that their yields quickly increase with different rates as the incident energy increases. Besides, the widths of the broad MO x-ray bands are about 0.9-1.32 keV over the energy range studied and are proportional to v(1/2) (v = projectile velocity). Most remarkably, when the projectile charge state is 29, the broad x-ray band separates into several narrow discrete spectra, which was never observed before in this field.

Catalysts and process development for two-stage liquefaction. First quarterly report, January 1, 1992--March 31, 1992

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

Cronauer, D.C.; Swanson, A.J.; Sajkowski, D.J.

Research under way in this project centers upon developing and evaluating catalysts and process improvements for coal liquefaction in the two-stage, close-coupled catalytic process. The project is being carried out under contract to the United States Department of Energy. As discussed in the previous quarterly report, promising results were obtained by liquefying Illinois No. 6 bituminous and Black Thunder subbituminous coals using oil-soluble catalysts Molyvan L and molybdenum octoate. In this quarter, the liquefaction of Black Thunder coal was continued. Runs were made in catalytic/thermal (C/T) mode with supported AMOCAT{trademark} 1C (NiMo) and AMOCAT{trademark} 1B (Mo) catalysts. Although the initialmore » performance in these runs was good (90% conversion with no resid production), both catalysts deactivated rapidly. Spent catalysts showed severe coke deposition as well as formation of a calcium-rich shell on the catalyst surface. Overall, C/T liquefaction is not a good process option for Black Thunder coal.« less

A shell-neutral modeling approach yields sustainable oyster harvest estimates: a retrospective analysis of the Louisiana state primary seed grounds

USGS Publications Warehouse

Soniat, Thomas M.; Klinck, John M.; Powell, Eric N.; Cooper, Nathan; Abdelguerfi, Mahdi; Hofmann, Eileen E.; Dahal, Janak; Tu, Shengru; Finigan, John; Eberline, Benjamin S.; La Peyre, Jerome F.; LaPeyre, Megan K.; Qaddoura, Fareed

2012-01-01

A numerical model is presented that defines a sustainability criterion as no net loss of shell, and calculates a sustainable harvest of seed (<75 mm) and sack or market oysters (≥75 mm). Stock assessments of the Primary State Seed Grounds conducted east of the Mississippi from 2009 to 2011 show a general trend toward decreasing abundance of sack and seed oysters. Retrospective simulations provide estimates of annual sustainable harvests. Comparisons of simulated sustainable harvests with actual harvests show a trend toward unsustainable harvests toward the end of the time series. Stock assessments combined with shell-neutral models can be used to estimate sustainable harvest and manage cultch through shell planting when actual harvest exceeds sustainable harvest. For exclusive restoration efforts (no fishing allowed), the model provides a metric for restoration success-namely, shell accretion. Oyster fisheries that remove shell versus reef restorations that promote shell accretion, although divergent in their goals, are convergent in their management; both require vigilant attention to shell budgets.

Open source integrated modeling environment Delta Shell

NASA Astrophysics Data System (ADS)

Donchyts, G.; Baart, F.; Jagers, B.; van Putten, H.

2012-04-01

In the last decade, integrated modelling has become a very popular topic in environmental modelling since it helps solving problems, which is difficult to model using a single model. However, managing complexity of integrated models and minimizing time required for their setup remains a challenging task. The integrated modelling environment Delta Shell simplifies this task. The software components of Delta Shell are easy to reuse separately from each other as well as a part of integrated environment that can run in a command-line or a graphical user interface mode. The most components of the Delta Shell are developed using C# programming language and include libraries used to define, save and visualize various scientific data structures as well as coupled model configurations. Here we present two examples showing how Delta Shell simplifies process of setting up integrated models from the end user and developer perspectives. The first example shows coupling of a rainfall-runoff, a river flow and a run-time control models. The second example shows how coastal morphological database integrates with the coastal morphological model (XBeach) and a custom nourishment designer. Delta Shell is also available as open-source software released under LGPL license and accessible via http://oss.deltares.nl.

CoLeMo: A Collaborative Learning Environment for UML Modelling

ERIC Educational Resources Information Center

Chen, Weiqin; Pedersen, Roger Heggernes; Pettersen, Oystein

2006-01-01

This paper presents the design, implementation, and evaluation of a distributed collaborative UML modelling environment, CoLeMo. CoLeMo is designed for students studying UML modelling. It can also be used as a platform for collaborative design of software. We conducted formative evaluations and a summative evaluation to improve the environment and…

A Bayesian network model for predicting aquatic toxicity mode of action using two dimensional theoretical molecular descriptors

EPA Science Inventory

The mode of toxic action (MoA) has been recognized as a key determinant of chemical toxicity, but development of predictive MoA classification models in aquatic toxicology has been limited. We developed a Bayesian network model to classify aquatic toxicity MoA using a recently pu...

Influence of corneal thickness on the intraocular pressure readings for Maklakoff's tonometer of different weight

NASA Astrophysics Data System (ADS)

Franus, D. V.

2018-05-01

Research is conducted into variation in the stress-strain state of the corneoscleral shell of the human eye under loading by a flat base stamp of varying weight. A three-dimensional finite-element model of the contact problem of loading of the corneoscleral shell in the ANSYS program package is presented. Cornea and sclera are modeled as conjugated transversely isotropic spherical shells. The cornea is modeled as a multilayer shell with variable thickness in which all modeled layers have their own individual elastic properties. The research deals with the numerical calculation of the diameter of the contact zone between the shell and the stamp. Values of correction coefficients for intraocular pressure are obtained depending on the thickness of the corneal shell in its center, allowing the true intraocular pressure to be determined more accurately.

Modeling the effects of variable groundwater chemistry on adsorption of molybdate

USGS Publications Warehouse

Stollenwerk, Kenneth G.

1995-01-01

Laboratory experiments were used to identify and quantify processes having a significant effect on molybdate (MoO42−) adsorption in a shallow alluvial aquifer on Cape Cod, assachusetts. Aqueous chemistry in the aquifer changes as a result of treated sewage effluent mixing with groundwater. Molybdate adsorption decreased as pH, ionic strength, and the concentration of competing anions increased. A diffuse-layer surface complexation model was used to simulate adsorption of MoO42−, phosphate (PO43−), and sulfate (SO42−) on aquifer sediment. Equilibrium constants for the model were calculated by calibration to data from batch experiments. The model was then used in a one-dimensional solute transport program to successfully simulate initial breakthrough of MoO42− from column experiments. A shortcoming of the solute transport program was the inability to account for kinetics of physical and chemical processes. This resulted in a failure of the model to predict the slow rate of desorption of MoO42− from the columns. The mobility of MoO42− ncreased with ionic strength and with the formation of aqueous complexes with calcium, magnesium, and sodium. Failure to account for MoO42− speciation and ionic strength in the model resulted in overpredicting MoO42− adsorption. Qualitatively, the laboratory data predicted the observed behavior of MoO42− in the aquifer, where retardation of MoO42− was greatest in uncontaminated roundwater having low pH, low ionic strength, and low concentrations of PO43− and SO42−.

Offsite radiological consequence analysis for the bounding flammable gas accident

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

CARRO, C.A.

2003-03-19

The purpose of this analysis is to calculate the offsite radiological consequence of the bounding flammable gas accident. DOE-STD-3009-94, ''Preparation Guide for U.S. Department of Energy Nonreactor Nuclear Facility Documented Safety Analyses'', requires the formal quantification of a limited subset of accidents representing a complete set of bounding conditions. The results of these analyses are then evaluated to determine if they challenge the DOE-STD-3009-94, Appendix A, ''Evaluation Guideline,'' of 25 rem total effective dose equivalent in order to identify and evaluate safety class structures, systems, and components. The bounding flammable gas accident is a detonation in a single-shell tank (SST).more » A detonation versus a deflagration was selected for analysis because the faster flame speed of a detonation can potentially result in a larger release of respirable material. As will be shown, the consequences of a detonation in either an SST or a double-shell tank (DST) are approximately equal. A detonation in an SST was selected as the bounding condition because the estimated respirable release masses are the same and because the doses per unit quantity of waste inhaled are generally greater for SSTs than for DSTs. Appendix A contains a DST analysis for comparison purposes.« less

Cross section measurements of radiative KL2,3 RRS in 24Cr and L3M4,5 RRS in 59Pr for Mn Kα1,2 X-rays

NASA Astrophysics Data System (ADS)

Sharma, Veena; Upmanyu, Arun; Singh, Ranjit; Singh, Gurjot; Sharma, Hitesh; Kumar, Sanjeev; Mehta, D.

2017-06-01

The KL2,3 and L3M4,5 radiative resonant Raman scattering (RRS) cross sections have been measured for the quasimonochromatic Mn Kα1,2 X-rays (5.895 keV) in 24Cr (K-shell level width (ΓK) =1.08 eV) and 59 Pr (L3-subshell level width (ΓL3) =3.60 eV), respectively, using targets in metallic and various chemical forms. The incident Mn Kα1,2 X-ray energy is lower than the K-shell binding energy of 24Cr and L3-subshell binding energy of 59Pr by 94 ΓK (Cr) and 94 ΓL3 (Pr), respectively. The experimental measurements were performed with a low energy Ge detector (LEGe) and a radioactive 55Fe annular source in conjunction with 24Cr absorber. The measured cross section values for the 24Cr and 59 Pr elements in their various oxidation states are found to be same within experimental errors. The measurements were further extended to investigate alignment of the intermediate L3-subshell (J =3/2) virtual vacancy states in 59Pr through angular distribution measurements for RRS photon emission, which is found to be isotropic within experimental errors.

Internal rib structure can be predicted using mathematical models: An anatomic study comparing the chest to a shell dome with application to understanding fractures.

PubMed

Casha, Aaron R; Camilleri, Liberato; Manché, Alexander; Gatt, Ruben; Attard, Daphne; Gauci, Marilyn; Camilleri-Podesta, Marie-Therese; Mcdonald, Stuart; Grima, Joseph N

2015-11-01

The human rib cage resembles a masonry dome in shape. Masonry domes have a particular construction that mimics stress distribution. Rib cortical thickness and bone density were analyzed to determine whether the morphology of the rib cage is sufficiently similar to a shell dome for internal rib structure to be predicted mathematically. A finite element analysis (FEA) simulation was used to measure stresses on the internal and external surfaces of a chest-shaped dome. Inner and outer rib cortical thickness and bone density were measured in the mid-axillary lines of seven cadaveric rib cages using computerized tomography scanning. Paired t tests and Pearson correlation were used to relate cortical thickness and bone density to stress. FEA modeling showed that the stress was 82% higher on the internal than the external surface, with a gradual decrease in internal and external wall stresses from the base to the apex. The inner cortex was more radio-dense, P < 0.001, and thicker, P < 0.001, than the outer cortex. Inner cortical thickness was related to internal stress, r = 0.94, P < 0.001, inner cortical bone density to internal stress, r = 0.87, P = 0.003, and outer cortical thickness to external stress, r = 0.65, P = 0.035. Mathematical models were developed relating internal and external cortical thicknesses and bone densities to rib level. The internal anatomical features of ribs, including the inner and outer cortical thicknesses and bone densities, are similar to the stress distribution in dome-shaped structures modeled using FEA computer simulations of a thick-walled dome pressure vessel. Fixation of rib fractures should include the stronger internal cortex. © 2015 Wiley Periodicals, Inc.

Modeling the Homogenization Kinetics of As-Cast U-10wt% Mo alloys

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

Xu, Zhijie; Joshi, Vineet; Hu, Shenyang Y.

2016-01-15

Low-enriched U-22at% Mo (U-10Mo) alloy has been considered as an alternative material to replace the highly enriched fuels in research reactors. For the U-10Mo to work effectively and replace the existing fuel material, a thorough understanding of the microstructure development from as-cast to the final formed structure is required. The as-cast microstructure typically resembles an inhomogeneous microstructure with regions containing molybdenum-rich and -lean regions, which may affect the processing and possibly the in-reactor performance. This as-cast structure must be homogenized by thermal treatment to produce a uniform Mo distribution. The development of a modeling capability will improve the understanding ofmore » the effect of initial microstructures on the Mo homogenization kinetics. In the current work, we investigated the effect of as-cast microstructure on the homogenization kinetics. The kinetics of the homogenization was modeled based on a rigorous algorithm that relates the line scan data of Mo concentration to the gray scale in energy dispersive spectroscopy images, which was used to generate a reconstructed Mo concentration map. The map was then used as realistic microstructure input for physics-based homogenization models, where the entire homogenization kinetics can be simulated and validated against the available experiment data at different homogenization times and temperatures.« less

Diversification of 99Mo/99mTc separation: non–fission reactor production of 99Mo as a strategy for enhancing 99mTc availability.

PubMed

Pillai, Maroor R A; Dash, Ashutosh; Knapp, Furn F Russ

2015-01-01

This paper discusses the benefits of obtaining (99m)Tc from non-fission reactor-produced low-specific-activity (99)Mo. This scenario is based on establishing a diversified chain of facilities for the distribution of (99m)Tc separated from reactor-produced (99)Mo by (n,γ) activation of natural or enriched Mo. Such facilities have expected lower investments than required for the proposed chain of cyclotrons for the production of (99m)Tc. Facilities can receive and process reactor-irradiated Mo targets then used for extraction of (99m)Tc over a period of 2 wk, with 3 extractions on the same day. Estimates suggest that a center receiving 1.85 TBq (50 Ci) of (99)Mo once every 4 d can provide 1.48-3.33 TBq (40-90 Ci) of (99m)Tc daily. This model can use research reactors operating in the United States to supply current (99)Mo needs by applying natural (nat)Mo targets. (99)Mo production capacity can be enhanced by using (98)Mo-enriched targets. The proposed model reduces the loss of (99)Mo by decay and avoids proliferation as well as waste management issues associated with fission-produced (99)Mo.

Validation of the Telephone Interview of Cognitive Status and Telephone Montreal Cognitive Assessment Against Detailed Cognitive Testing and Clinical Diagnosis of Mild Cognitive Impairment After Stroke.

PubMed

Zietemann, Vera; Kopczak, Anna; Müller, Claudia; Wollenweber, Frank Arne; Dichgans, Martin

2017-11-01

Assessment of cognitive status poststroke is recommended by guidelines but follow-up can often not be done in person. The Telephone Interview of Cognitive Status (TICS) and the Telephone Montreal Cognitive Assessment (T-MoCA) are considered useful screening instruments. Yet, evidence to define optimal cut-offs for mild cognitive impairment (MCI) after stroke is limited. We studied 105 patients enrolled in the prospective DEDEMAS study (Determinants of Dementia After Stroke; NCT01334749). Follow-up visits at 6, 12, 36, and 60 months included comprehensive neuropsychological testing and the Clinical Dementia Rating scale, both of which served as reference standards. The original TICS and T-MoCA were obtained in 2 separate telephone interviews each separated from the personal visits by 1 week (1 before and 1 after the visit) with the order of interviews (TICS versus T-MoCA) alternating between subjects. Area under the receiver-operating characteristic curves was determined. Ninety-six patients completed both the face-to-face visits and the 2 interviews. Area under the receiver-operating characteristic curves ranged between 0.76 and 0.83 for TICS and between 0.73 and 0.94 for T-MoCA depending on MCI definition. For multidomain MCI defined by multiple-tests definition derived from comprehensive neuropsychological testing optimal sensitivities and specificities were achieved at cut-offs <36 (TICS) and <18 (T-MoCA). Validity was lower using single-test definition, and cut-offs were higher compared with multiple-test definitions. Using Clinical Dementia Rating as the reference, optimal cut-offs for MCI were <36 (TICS) and approximately 19 (T-MoCA). Both the TICS and T-MoCA are valid screening tools poststroke, particularly for multidomain MCI using multiple-test definition. © 2017 American Heart Association, Inc.

Rubber Fruit Shell (Hevea brasiliensis) as bio sorbent to remove FFA (Free Fatty Acid) content in CPO (Crude Palm Oil)

NASA Astrophysics Data System (ADS)

Pandia, S.; Sinaga, M. S.; Masyithah, Z.; Husin, A.; Nurfadilla, S.; Fitriani; Sipahutar, B. K. S.

2018-02-01

This study aimed to discover the effectiveness of the shell of rubber fruit as bio sorbent for removing FFA (Free Fatty Acid) content in CPO (Crude Palm Oil). Methods used in this study were pretreatment, activation (carbonating and chemically) and adsorption process at room temperature. In the beginning, the shell of rubber fruit was cleaned and dried under the sun. Then the shell was cut for about 0.5 cm of length and carbonated in a furnace for 1h at 600°C. After that, they were crushed to pass through 140 meshes and activated using three variations of chemical such as 6 of HNO3, 6N of KOH and 6N of H3PO4 at certain ratio as 1:3, 1:4, and 1:5 (b/v). The adsorption process was carried out using bio sorbent with the highest iodine number in varying bio sorbent dosage and contact time. The highest iodine number was 913.680 mg/g and obtained at the ratio of bio sorbent to 6N of KOH as 1:5. The best removal of FFA content was 91.94% and at 1% bio sorbent dose and 30 min of contact time.

Reversible polymorphism-aware phylogenetic models and their application to tree inference.

PubMed

Schrempf, Dominik; Minh, Bui Quang; De Maio, Nicola; von Haeseler, Arndt; Kosiol, Carolin

2016-10-21

We present a reversible Polymorphism-Aware Phylogenetic Model (revPoMo) for species tree estimation from genome-wide data. revPoMo enables the reconstruction of large scale species trees for many within-species samples. It expands the alphabet of DNA substitution models to include polymorphic states, thereby, naturally accounting for incomplete lineage sorting. We implemented revPoMo in the maximum likelihood software IQ-TREE. A simulation study and an application to great apes data show that the runtimes of our approach and standard substitution models are comparable but that revPoMo has much better accuracy in estimating trees, divergence times and mutation rates. The advantage of revPoMo is that an increase of sample size per species improves estimations but does not increase runtime. Therefore, revPoMo is a valuable tool with several applications, from speciation dating to species tree reconstruction. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Structural and electronic properties for atomic clusters

NASA Astrophysics Data System (ADS)

Sun, Yan

We have studied the structural and electronic properties for different groups of atomic clusters by doing a global search on the potential energy surface using the Taboo Search in Descriptors Space (TSDS) method and calculating the energies with Kohn-Sham Density Functional Theory (KS-DFT). Our goal was to find the structural and electronic principles for predicting the structure and stability of clusters. For Ben (n = 3--20), we have found that the evolution of geometric and electronic properties with size reflects a change in the nature of the bonding from van der Waals to metallic and then bulk-like. The cluster sizes with extra stability agree well with the predictions of the jellium model. In the 4d series of transition metal (TM) clusters, as the d-type bonding becomes more important, the preferred geometric structure changes from icosahedral (Y, Zr), to distorted compact structures (Nb, Mo), and FCC or simple cubic crystal fragments (Tc, Ru, Rh) due to the localized nature of the d-type orbital. Analysis of relative isomer energies and their electronic density of states suggest that these clusters tend to follow a maximum hardness principle (MHP). For A4B12 clusters (A is divalent, B is monovalent), we found unusually large (on average 1.95 eV) HOMO-LUMO gap values. This shows the extra stability at an electronic closed shell (20 electrons) predicted by the jellium model. The importance of symmetry, closed electronic and ionic shells in stability is shown by the relative stability of homotops of Mg4Ag12 which also provides support for the hypothesis that clusters that satisfy more than one stability criterion ("double magic") should be particularly stable.

Marine reservoir effect on the Southeastern coast of Brazil: results from the Tarioba shellmound paired samples.

PubMed

Macario, K D; Souza, R C C L; Aguilera, O A; Carvalho, C; Oliveira, F M; Alves, E Q; Chanca, I S; Silva, E P; Douka, K; Decco, J; Trindade, D C; Marques, A N; Anjos, R M; Pamplona, F C

2015-05-01

On the Southeastern coast of Brazil the presence of many archaeological shellmounds offers a great potential for studying the radiocarbon marine reservoir effect (MRE). However, very few such studies are available for this region. These archaeological settlements, mostly dating from 5 to 2 kyr cal BP, include both terrestrial and marine remains in good stratigraphic context and secure association, enabling the comparison of different carbon reservoirs. In a previous study the chronology of the Sambaqui da Tarioba, located in Rio de Janeiro state, Brazil, was established based on marine mollusc shells and charcoal samples from hearths, from several layers in two excavated sectors. We now compare the different materials with the aim of studying the MRE in this region. Calibration was performed with Oxford software OxCal v4.2.3 using the marine curve Marine13 with an undetermined offset to account for local corrections for shell samples, and the atmospheric curve SHCal13 for charcoal samples. The distribution of results considering a phase model indicates a ΔR value of -127 ± 67 (14)C yr in the 1 sigma range and the multi-paired approach leads to a mean value of -110 ± 94 (14)C yr. Copyright © 2015 Elsevier Ltd. All rights reserved.

Phenylurea herbicide sorption to biochars and agricultural soil

PubMed Central

WANG, DAOYUAN; MUKOME, FUNGAI N. D.; YAN, DENGHUA; WANG, HAO; SCOW, KATE M.; PARIKH, SANJAI J.

2016-01-01

Biochar is increasingly been used as a soil amendment to improve water holding capacity, reduce nutrient leaching, increase soil pH and also as a means to reduce contamination through sorption of heavy metals or organic pollutants. The sorption behavior of three phenylurea herbicides (monuron, diuron, linuron) on five biochars (Enhanced Biochar, Hog Waste, Turkey Litter, Walnut Shell and Wood Feedstock) and an agricultural soil (Yolo silt loam) was investigated using a batch equilibration method. Sorption isotherms of herbicides to biochars were well described by the Freundlich model (R2 = 0.93 -- 0.97). The adsorption KF values ranged from 6.94 to 1306.95 mg kg−1 and indicated the sorption of herbicides in the biochars and Yolo soil was in the sequence of linuron > diuron > monuron and walnut shell biochar > wood feedstock biochar > turkey litter biochar > enhanced biochar > hog waste biochar > Yolo soil. These data show that sorption of herbicides to biochar can have both positive (reduced off-site transport) and negative (reduced herbicide efficacy) implications and specific biochar properties, such as H/C ratio and surface area, should be considered together with soil type, agriculture chemical and climate condition in biochar application to agricultural soil to optimize the system for both agricultural and environmental benefits. PMID:26065514

Molybdenum L-Edge XAS Spectra of MoFe Nitrogenase

PubMed Central

Bjornsson, Ragnar; Delgado-Jaime, Mario U; Lima, Frederico A; Sippel, Daniel; Schlesier, Julia; Weyhermüller, Thomas; Einsle, Oliver; Neese, Frank; DeBeer, Serena

2015-01-01

A molybdenum L-edge X-ray absorption spectroscopy (XAS) study is presented for native and oxidized MoFe protein of nitrogenase as well as Mo-Fe model compounds. Recently collected data on MoFe protein (in oxidized and reduced forms) is compared to previously published Mo XAS data on the isolated FeMo cofactor in NMF solution and put in context of the recent Mo K-edge XAS study, which showed a MoIII assignment for the molybdenum atom in FeMoco. The L3-edge data are interpreted within a simple ligand-field model, from which a time-dependent density functional theory (TDDFT) approach is proposed as a way to provide further insights into the analysis of the molybdenum L3-edges. The calculated results reproduce well the relative spectral trends that are observed experimentally. Ultimately, these results give further support for the MoIII assignment in protein-bound FeMoco, as well as isolated FeMoco. PMID:26213424

Glass shell manufacturing in space

NASA Technical Reports Server (NTRS)

Downs, R. L.; Ebner, M. A.; Nolen, R. L., Jr.

1981-01-01

Highly-uniform, hollow glass spheres (shells), which are used for inertial confinement fusion targets, were formed from metal-organic gel powder feedstock in a vertical furnace. As a result of the rapid pyrolysis caused by the furnace, the gel is transformed to a shell in five distinct stages: (a) surface closure of the porous gel; (b) generation of a closed-cell foam structure in the gel; (c) spheridization of the gel and further expansion of the foam; (d) coalescence of the closed-cell foam to a single-void shell; and (e) fining of the glass shell. The heat transfer from the furnace to the falling gel particle was modeled to determine the effective heating rate of the gel. The model predicts the temperature history for a particle as a function of mass, dimensions, specific heat, and absorptance as well as furnace temperature profile and thermal conductivity of the furnace gas. A model was developed that predicts the gravity-induced degradation of shell concentricity in falling molten shells as a function of shell characteristics and time.

Isothermal Circumstellar Dust Shell Model for Teaching

ERIC Educational Resources Information Center

Robinson, G.; Towers, I. N.; Jovanoski, Z.

2009-01-01

We introduce a model of radiative transfer in circumstellar dust shells. By assuming that the shell is both isothermal and its thickness is small compared to its radius, the model is simple enough for students to grasp and yet still provides a quantitative description of the relevant physical features. The isothermal model can be used in a…

Geodynamic Modeling of Planetary Ice-Oceans: Evolution of Ice-Shell Thickness in Convecting Two-Phase Systems

NASA Astrophysics Data System (ADS)

Allu Peddinti, D.; McNamara, A. K.

2016-12-01

Along with the newly unveiled icy surface of Pluto, several icy planetary bodies show indications of an active surface perhaps underlain by liquid oceans of some size. This augments the interest to explore the evolution of an ice-ocean system and its surface implications. The geologically young surface of the Jovian moon Europa lends much speculation to variations in ice-shell thickness over time. Along with the observed surface features, it suggests the possibility of episodic convection and conduction within the ice-shell as it evolved. What factors would control the growth of the ice-shell as it forms? If and how would those factors determine the thickness of the ice-shell and consequently the heat transfer? Would parameters such as tidal heating or initial temperature affect how the ice-shell grows and to what significance? We perform numerical experiments using geodynamical models of the two-phase ice-water system to study the evolution of planetary ice-oceans such as that of Europa. The models evolve self-consistently from an initial liquid ocean as it cools with time. The effects of presence, absence and magnitude of tidal heating on ice-shell thickness are studied in different models. The vigor of convection changes as the ice-shell continues to thicken. Initial modeling results track changes in the growth rate of the ice-shell as the vigor of the convection changes. The magnitude and temporal location of the rate change varies with different properties of tidal heating and values of initial temperature. A comparative study of models is presented to demonstrate how as the ice-shell is forming, its growth rate and convection are affected by processes such as tidal heating.

Nano-confinement inside molecular metal oxide clusters: Dynamics and modified encapsulation behavior

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

Wang, Zhe; Daemen, Luke L.; Cheng, Yongqiang

Encapsulation behavior, as well as the presence of internal catalytically-active sites, has been spurring the applications of a 3 nm hollow spherical metal oxide cluster {Mo 132} as an encapsulation host and a nano-reactor. Due to its well-defined and tunable cluster structures, and nano-scaled internal void space comparable to the volumes of small molecules, this cluster provides a good model to study the dynamics of materials under ultra-confinement. Neutron scattering studies suggest that bulky internal ligands inside the cluster show slower and limited dynamics compared to their counterparts in the bulk state, revealing the rigid nature of the skeleton ofmore » the internal ligands. Furthermore, NMR studies indicate that the rigid internal ligands that partially cover the interfacial pore on the molybdenum oxide shells are able to block some large guest molecules from going inside the capsule cluster, which provides a convincing protocol for size-selective encapsulation and separation.« less

Collective excitations in the transitional nuclei 163Re and 165Re

NASA Astrophysics Data System (ADS)

Davis-Merry, T. R.; Joss, D. T.; Page, R. D.; Simpson, J.; Paul, E. S.; Ali, F. A.; Bianco, L.; Carroll, R. J.; Cederwall, B.; Darby, I. G.; Drummond, M. C.; Eeckhaudt, S.; Ertürk, S.; Gómez-Hornillos, M. B.; Grahn, T.; Greenlees, P. T.; Hadinia, B.; Jakobsson, U.; Jones, P. M.; Julin, R.; Juutinen, S.; Ketelhut, S.; Leino, M.; Nieminen, P.; Nyman, M.; O'Donnell, D.; Pakarinen, J.; Peura, P.; Rahkila, P.; Revill, J. P.; Ruotsalainen, P.; Sandzelius, M.; Sapple, P. J.; Sarén, J.; Sayǧi, B.; Scholey, C.; Sorri, J.; Thomson, J.; Uusitalo, J.

2015-03-01

Excited states in the neutron-deficient nuclei 75163Re88 and 75165Re90 were populated in the 106Cd( 60Ni ,p 2 n γ ) and 92Mo( 78Kr , 3 p 2 n γ ) fusion-evaporation reactions at bombarding energies of 270 and 380 MeV, respectively. γ rays were detected at the target position using the JUROGAM spectrometer while recoiling ions were separated in-flight by the RITU gas-filled recoil separator and implanted in the GREAT spectrometer. The energy level schemes for 163Re and 165Re were identified using recoil-decay correlation techniques. At low spin, the yrast bands of these isotopes consist of signature partner bands based on a single π h11 /2 quasiproton configuration. The bands display large energy splitting consistent with the soft triaxial shape typical of transitional nuclei above N =82 . The configurations of the excited states are proposed within the framework of the cranked shell model.

Nano-confinement inside molecular metal oxide clusters: Dynamics and modified encapsulation behavior

DOE PAGES

Wang, Zhe; Daemen, Luke L.; Cheng, Yongqiang; ...

2016-08-19

Encapsulation behavior, as well as the presence of internal catalytically-active sites, has been spurring the applications of a 3 nm hollow spherical metal oxide cluster {Mo 132} as an encapsulation host and a nano-reactor. Due to its well-defined and tunable cluster structures, and nano-scaled internal void space comparable to the volumes of small molecules, this cluster provides a good model to study the dynamics of materials under ultra-confinement. Neutron scattering studies suggest that bulky internal ligands inside the cluster show slower and limited dynamics compared to their counterparts in the bulk state, revealing the rigid nature of the skeleton ofmore » the internal ligands. Furthermore, NMR studies indicate that the rigid internal ligands that partially cover the interfacial pore on the molybdenum oxide shells are able to block some large guest molecules from going inside the capsule cluster, which provides a convincing protocol for size-selective encapsulation and separation.« less

Electronic structure description of the cis-MoOS unit in models for molybdenum hydroxylases.

PubMed

Doonan, Christian J; Rubie, Nick D; Peariso, Katrina; Harris, Hugh H; Knottenbelt, Sushilla Z; George, Graham N; Young, Charles G; Kirk, Martin L

2008-01-09

The molybdenum hydroxylases catalyze the oxidation of numerous aromatic heterocycles and simple organics and, unlike other hydroxylases, utilize water as the source of oxygen incorporated into the product. The electronic structures of the cis-MoOS units in CoCp2[TpiPrMoVOS(OPh)] and TpiPrMoVIOS(OPh) (TpiPr = hydrotris(3-isopropylpyrazol-1-yl)borate), new models for molybdenum hydroxylases, have been studied in detail using S K-edge X-ray absorption spectroscopy, vibrational spectroscopy, and detailed bonding calculations. The results show a highly delocalized Mo=S pi* LUMO redox orbital that is formally Mo(dxy) with approximately 35% sulfido ligand character. Vibrational spectroscopy has been used to quantitate Mo-Ssulfido bond order changes in the cis-MoOS units as a function of redox state. Results support a redox active molecular orbital that has a profound influence on MoOS bonding through changes to the relative electro/nucleophilicity of the terminal sulfido ligand accompanying oxidation state changes. The bonding description for these model cis-MoOS systems supports enzyme mechanisms that are under orbital control and dominantly influenced by the unique electronic structure of the cis-MoOS site. The electronic structure of the oxidized enzyme site is postulated to play a role in polarizing a substrate carbon center for nucleophilic attack by metal activated water and acting as an electron sink in the two-electron oxidation of substrates.

Accurate force field for molybdenum by machine learning large materials data

NASA Astrophysics Data System (ADS)

Chen, Chi; Deng, Zhi; Tran, Richard; Tang, Hanmei; Chu, Iek-Heng; Ong, Shyue Ping

2017-09-01

In this work, we present a highly accurate spectral neighbor analysis potential (SNAP) model for molybdenum (Mo) developed through the rigorous application of machine learning techniques on large materials data sets. Despite Mo's importance as a structural metal, existing force fields for Mo based on the embedded atom and modified embedded atom methods do not provide satisfactory accuracy on many properties. We will show that by fitting to the energies, forces, and stress tensors of a large density functional theory (DFT)-computed dataset on a diverse set of Mo structures, a Mo SNAP model can be developed that achieves close to DFT accuracy in the prediction of a broad range of properties, including elastic constants, melting point, phonon spectra, surface energies, grain boundary energies, etc. We will outline a systematic model development process, which includes a rigorous approach to structural selection based on principal component analysis, as well as a differential evolution algorithm for optimizing the hyperparameters in the model fitting so that both the model error and the property prediction error can be simultaneously lowered. We expect that this newly developed Mo SNAP model will find broad applications in large and long-time scale simulations.

Highly visible-light-responsive Cu2O/rGO decorated with Fe3O4@SiO2 nanoparticles as a magnetically recyclable photocatalyst

NASA Astrophysics Data System (ADS)

Liu, Shou-Heng; Lu, Jun-Sheng; Yang, Sheng-Wei

2018-07-01

The rhombic dodecahedral cuprous oxide-reduced graphene oxide/core–shell Fe3O4@SiO2 composites (denoted as rCu2O-rGO/Fe3O4@SiO2) are successfully synthesized facilely via a wet-chemical route. The resulting rCu2O-rGO/Fe3O4@SiO2 combines the unique structure of Cu2O, electronic characteristics of reduced graphene oxide (rGO) and magnetic property of Fe3O4@SiO2 to be an effective and recoverable photocatalyst for the degradation of methyl orange (MO). The obtained results show that rCu2O-rGO/Fe3O4@SiO2 is capable of completely degrading MO in the presence of a very low catalyst concentration (0.125 g l‑1) within a short time (60 min) under visible light compared to the reported catalysts. The observations may be due to the distinctive interfacial structures of rhombic dodecahedral Cu2O nanoparticles connected to rGO sheets that can enhance the separation of photogenerated electron–hole pairs, stabilize the Cu2O and increase MO adsorption, as evidenced by a variety of spectroscopic analyses (transmission electron microscopy, x-ray photoelectron spectroscopy and photoluminescence). More importantly, these efficient photocatalysts can easily be recovered under a magnetic field and remain highly photoactive towards the degradation of MO after cyclic tests, and may be promising photocatalysts for practical applications in the solar-energy purification of wastewater.

Highly visible-light-responsive Cu2O/rGO decorated with Fe3O4@SiO2 nanoparticles as a magnetically recyclable photocatalyst.

PubMed

Liu, Shou-Heng; Lu, Jun-Sheng; Yang, Sheng-Wei

2018-07-27

The rhombic dodecahedral cuprous oxide-reduced graphene oxide/core-shell Fe 3 O 4 @SiO 2 composites (denoted as rCu 2 O-rGO/Fe 3 O 4 @SiO 2 ) are successfully synthesized facilely via a wet-chemical route. The resulting rCu 2 O-rGO/Fe 3 O 4 @SiO 2 combines the unique structure of Cu 2 O, electronic characteristics of reduced graphene oxide (rGO) and magnetic property of Fe 3 O 4 @SiO 2 to be an effective and recoverable photocatalyst for the degradation of methyl orange (MO). The obtained results show that rCu 2 O-rGO/Fe 3 O 4 @SiO 2 is capable of completely degrading MO in the presence of a very low catalyst concentration (0.125 g l -1 ) within a short time (60 min) under visible light compared to the reported catalysts. The observations may be due to the distinctive interfacial structures of rhombic dodecahedral Cu 2 O nanoparticles connected to rGO sheets that can enhance the separation of photogenerated electron-hole pairs, stabilize the Cu 2 O and increase MO adsorption, as evidenced by a variety of spectroscopic analyses (transmission electron microscopy, x-ray photoelectron spectroscopy and photoluminescence). More importantly, these efficient photocatalysts can easily be recovered under a magnetic field and remain highly photoactive towards the degradation of MO after cyclic tests, and may be promising photocatalysts for practical applications in the solar-energy purification of wastewater.

Finite Rotation Analysis of Highly Thin and Flexible Structures

NASA Technical Reports Server (NTRS)

Clarke, Greg V.; Lee, Keejoo; Lee, Sung W.; Broduer, Stephen J. (Technical Monitor)

2001-01-01

Deployable space structures such as sunshields and solar sails are extremely thin and highly flexible with limited bending rigidity. For analytical investigation of their responses during deployment and operation in space, these structures can be modeled as thin shells. The present work examines the applicability of the solid shell element formulation to modeling of deployable space structures. The solid shell element formulation that models a shell as a three-dimensional solid is convenient in that no rotational parameters are needed for the description of kinematics of deformation. However, shell elements may suffer from element locking as the thickness becomes smaller unless special care is taken. It is shown that, when combined with the assumed strain formulation, the solid shell element formulation results in finite element models that are free of locking even for extremely thin structures. Accordingly, they can be used for analysis of highly flexible space structures undergoing geometrically nonlinear finite rotations.

Investigating the Geochemical Model for Molybdenum Mineralization in the JEB Tailings Management Facility at McClean Lake, Saskatchewan: An X-ray Absorption Spectroscopy Study.

PubMed

Blanchard, Peter E R; Hayes, John R; Grosvenor, Andrew P; Rowson, John; Hughes, Kebbi; Brown, Caitlin

2015-06-02

The geochemical model for Mo mineralization in the JEB Tailings Management Facility (JEB TMF), operated by AREVA Resources Canada at McClean Lake, Saskatchewan, was investigated using X-ray Absorption Near-Edge Spectroscopy (XANES), an elemental-specific technique that is sensitive to low elemental concentrations. Twenty five samples collected during the 2013 sampling campaign from various locations and depths in the TMF were analyzed by XANES. Mo K-edge XANES analysis indicated that the tailings consisted primarily of Mo(6+) species: powellite (CaMoO4), ferrimolybdite (Fe2(MoO4)3·8H2O), and molybdate adsorbed on ferrihydrite (Fe(OH)3 - MoO4). A minor concentration of a Mo(4+) species in the form of molybdenite (MoS2) was also present. Changes in the Mo mineralization over time were inferred by comparing the relative amounts of the Mo species in the tailings to the independently measured aqueous Mo pore water concentration. It was found that ferrimolybdite and molybdate adsorbed on ferrihydrite initially dissolves in the TMF and precipitates as powellite.

Modeling of nonlinear viscous stress in encapsulating shells of lipid-coated contrast agent microbubbles.

PubMed

Doinikov, Alexander A; Haac, Jillian F; Dayton, Paul A

2009-02-01

A general theoretical approach to the development of zero-thickness encapsulation models for contrast microbubbles is proposed. The approach describes a procedure that allows one to recast available rheological laws from the bulk form to a surface form which is used in a modified Rayleigh-Plesset equation governing the radial dynamics of a contrast microbubble. By the use of the proposed procedure, the testing of different rheological laws for encapsulation can be carried out. Challenges of existing shell models for lipid-encapsulated microbubbles, such as the dependence of shell parameters on the initial bubble radius and the "compression-only" behavior, are discussed. Analysis of the rheological behavior of lipid encapsulation is made by using experimental radius-time curves for lipid-coated microbubbles with radii in the range 1.2-2.5 microm. The curves were acquired for a research phospholipid-coated contrast agent insonified with a 20 cycle, 3.0 MHz, 100 kPa acoustic pulse. The fitting of the experimental data by a model which treats the shell as a viscoelastic solid gives the values of the shell surface viscosity increasing from 0.30 x 10(-8) kg/s to 2.63 x 10(-8) kg/s for the range of bubble radii, indicated above. The shell surface elastic modulus increases from 0.054 N/m to 0.37 N/m. It is proposed that this increase may be a result of the lipid coating possessing the properties of both a shear-thinning and a strain-softening material. We hypothesize that these complicated rheological properties do not allow the existing shell models to satisfactorily describe the dynamics of lipid encapsulation. In the existing shell models, the viscous and the elastic shell terms have the linear form which assumes that the viscous and the elastic stresses acting inside the lipid shell are proportional to the shell shear rate and the shell strain, respectively, with constant coefficients of proportionality. The analysis performed in the present paper suggests that a more general, nonlinear theory may be more appropriate. It is shown that the use of the nonlinear theory for shell viscosity allows one to model the "compression-only" behavior. As an example, the results of the simulation for a 2.03 microm radius bubble insonified with a 6 cycle, 1.8 MHz, 100 kPa acoustic pulse are given. These parameters correspond to the acoustic conditions under which the "compression-only" behavior was observed by de Jong et al. [Ultrasound Med. Biol. 33 (2007) 653-656]. It is also shown that the use of the Cross law for the modeling of the shear-thinning behavior of shell viscosity reduces the variance of experimentally estimated values of the shell viscosity and its dependence on the initial bubble radius.

Verification of Orthogrid Finite Element Modeling Techniques

NASA Technical Reports Server (NTRS)

Steeve, B. E.

1996-01-01

The stress analysis of orthogrid structures, specifically with I-beam sections, is regularly performed using finite elements. Various modeling techniques are often used to simplify the modeling process but still adequately capture the actual hardware behavior. The accuracy of such 'Oshort cutso' is sometimes in question. This report compares three modeling techniques to actual test results from a loaded orthogrid panel. The finite element models include a beam, shell, and mixed beam and shell element model. Results show that the shell element model performs the best, but that the simpler beam and beam and shell element models provide reasonable to conservative results for a stress analysis. When deflection and stiffness is critical, it is important to capture the effect of the orthogrid nodes in the model.

Band structure and orbital character of monolayer MoS2 with eleven-band tight-binding model

NASA Astrophysics Data System (ADS)

Shahriari, Majid; Ghalambor Dezfuli, Abdolmohammad; Sabaeian, Mohammad

2018-02-01

In this paper, based on a tight-binding (TB) model, first we present the calculations of eigenvalues as band structure and then present the eigenvectors as probability amplitude for finding electron in atomic orbitals for monolayer MoS2 in the first Brillouin zone. In these calculations we are considering hopping processes between the nearest-neighbor Mo-S, the next nearest-neighbor in-plan Mo-Mo, and the next nearest-neighbor in-plan and out-of-plan S-S atoms in a three-atom based unit cell of two-dimensional rhombic MoS2. The hopping integrals have been solved in terms of Slater-Koster and crystal field parameters. These parameters are calculated by comparing TB model with the density function theory (DFT) in the high-symmetry k-points (i.e. the K- and Γ-points). In our TB model all the 4d Mo orbitals and the 3p S orbitals are considered and detailed analysis of the orbital character of each energy level at the main high-symmetry points of the Brillouin zone is described. In comparison with DFT calculations, our results of TB model show a very good agreement for bands near the Fermi level. However for other bands which are far from the Fermi level, some discrepancies between our TB model and DFT calculations are observed. Upon the accuracy of Slater-Koster and crystal field parameters, on the contrary of DFT, our model provide enough accuracy to calculate all allowed transitions between energy bands that are very crucial for investigating the linear and nonlinear optical properties of monolayer MoS2.

A new multi-layer approach for progressive damage simulation in composite laminates based on isogeometric analysis and Kirchhoff-Love shells. Part II: impact modeling

NASA Astrophysics Data System (ADS)

Pigazzini, M. S.; Bazilevs, Y.; Ellison, A.; Kim, H.

2017-11-01

In this two-part paper we introduce a new formulation for modeling progressive damage in laminated composite structures. We adopt a multi-layer modeling approach, based on isogeometric analysis, where each ply or lamina is represented by a spline surface, and modeled as a Kirchhoff-Love thin shell. Continuum damage mechanics is used to model intralaminar damage, and a new zero-thickness cohesive-interface formulation is introduced to model delamination as well as permitting laminate-level transverse shear compliance. In Part I of this series we focus on the presentation of the modeling framework, validation of the framework using standard Mode I and Mode II delamination tests, and assessment of its suitability for modeling thick laminates. In Part II of this series we focus on the application of the proposed framework to modeling and simulation of damage in composite laminates resulting from impact. The proposed approach has significant accuracy and efficiency advantages over existing methods for modeling impact damage. These stem from the use of IGA-based Kirchhoff-Love shells to represent the individual plies of the composite laminate, while the compliant cohesive interfaces enable transverse shear deformation of the laminate. Kirchhoff-Love shells give a faithful representation of the ply deformation behavior, and, unlike solids or traditional shear-deformable shells, do not suffer from transverse-shear locking in the limit of vanishing thickness. This, in combination with higher-order accurate and smooth representation of the shell midsurface displacement field, allows us to adopt relatively coarse in-plane discretizations without sacrificing solution accuracy. Furthermore, the thin-shell formulation employed does not use rotational degrees of freedom, which gives additional efficiency benefits relative to more standard shell formulations.

A new multi-layer approach for progressive damage simulation in composite laminates based on isogeometric analysis and Kirchhoff-Love shells. Part I: basic theory and modeling of delamination and transverse shear

NASA Astrophysics Data System (ADS)

Bazilevs, Y.; Pigazzini, M. S.; Ellison, A.; Kim, H.

2017-11-01

In this two-part paper we introduce a new formulation for modeling progressive damage in laminated composite structures. We adopt a multi-layer modeling approach, based on Isogeometric Analysis (IGA), where each ply or lamina is represented by a spline surface, and modeled as a Kirchhoff-Love thin shell. Continuum Damage Mechanics is used to model intralaminar damage, and a new zero-thickness cohesive-interface formulation is introduced to model delamination as well as permitting laminate-level transverse shear compliance. In Part I of this series we focus on the presentation of the modeling framework, validation of the framework using standard Mode I and Mode II delamination tests, and assessment of its suitability for modeling thick laminates. In Part II of this series we focus on the application of the proposed framework to modeling and simulation of damage in composite laminates resulting from impact. The proposed approach has significant accuracy and efficiency advantages over existing methods for modeling impact damage. These stem from the use of IGA-based Kirchhoff-Love shells to represent the individual plies of the composite laminate, while the compliant cohesive interfaces enable transverse shear deformation of the laminate. Kirchhoff-Love shells give a faithful representation of the ply deformation behavior, and, unlike solids or traditional shear-deformable shells, do not suffer from transverse-shear locking in the limit of vanishing thickness. This, in combination with higher-order accurate and smooth representation of the shell midsurface displacement field, allows us to adopt relatively coarse in-plane discretizations without sacrificing solution accuracy. Furthermore, the thin-shell formulation employed does not use rotational degrees of freedom, which gives additional efficiency benefits relative to more standard shell formulations.

Aegle marmelos Mediated Green Synthesis of Different Nanostructured Metal Hexacyanoferrates: Activity against Photodegradation of Harmful Organic Dyes

PubMed Central

Jassal, Vidhisha; Kaith, B. S.

2016-01-01

Prussian blue analogue potassium metal hexacyanoferrate (KMHCF) nanoparticles Fe4[Fe(CN)6]3 (FeHCF), K2Cu3[Fe(CN)6]2 (KCuHCF), K2Ni[Fe(CN)6]·3H2O (KNiHCF), and K2Co[Fe(CN)6] (KCoHCF) have been synthesized using plant based biosurfactant Aegle marmelos (Bael) and water as a green solvent. It must be emphasized here that no harmful reagent or solvent was used throughout the study. Plant extracts are easily biodegradable and therefore do not cause any harm to the environment. Hence, the proposed method of synthesis of various KMHCF nanoparticles followed a green path. The synthesized nanoparticles were characterized by powder X-ray diffraction (PXRD), Field-Emission Scanning Electron Microscopy (FE-SEM), Transmission Electron Microscopy (TEM), and Fourier Transform Infrared Spectroscopy (FT-IR). MHCF nanoparticles were used for the photocatalytic degradation of toxic dyes like Malachite Green (MG), Eriochrome Black T (EBT), Methyl Orange (MO), and Methylene Blue (MB). Under optimized reaction conditions, maximum photocatalytic degradation was achieved in case of KCuHCF nanoparticles mediated degradation process (MG: 96.06%, EBT: 83.03%, MB: 94.72%, and MO: 63.71%) followed by KNiHCF (MG: 95%, EBT: 80.32%, MB: 91.35%, and MO: 59.42%), KCoHCF (MG: 91.45%, EBT: 78.84%, MB: 89.28%, and MO: 58.20%). PMID:27034896

Auditory- and visual-evoked potentials in Mexican infants are not affected by maternal supplementation with 400 mg/d docosahexaenoic acid in the second half of pregnancy.

PubMed

Stein, Aryeh D; Wang, Meng; Rivera, Juan A; Martorell, Reynaldo; Ramakrishnan, Usha

2012-08-01

The evidence relating prenatal supplementation with DHA to offspring neurological development is limited. We investigated the effect of prenatal DHA supplementation on infant brainstem auditory-evoked responses and visual- evoked potentials in a double-blind, randomized controlled trial in Cuernavaca, Mexico. Pregnant women were supplemented daily with 400 mg DHA or placebo from gestation wk 18-22 through delivery. DHA and placebo groups did not differ in maternal characteristics at randomization or infant characteristics at birth. Brainstem auditory-evoked responses were measured at 1 and 3 mo in 749 and 664 infants, respectively, and visual-evoked potentials were measured at 3 and 6 mo in 679 and 817 infants, respectively. Left-right brainstem auditory-evoked potentials were moderately correlated (range, 0.26-0.43; all P < 0.001) and left-right visual-evoked potentials were strongly correlated (range, 0.79-0.94; all P < 0.001) within any assessment. Correlations across visits were modest to moderate (range, 0.09-0.38; all P < 0.01). The offspring of DHA-supplemented women did not differ from those of control women with respect to any outcome measure (all comparisons P > 0.10). We conclude that DHA supplementation during pregnancy did not influence brainstem auditory-evoked responses at 1 and 3 mo or visual-evoked potentials at 3 and 6 mo.

HDR-192Ir intraluminal brachytherapy in treatment of malignant obstructive jaundice

PubMed Central

Chen, Yi; Wang, Xiao-Lin; Yan, Zhi-Ping; Cheng, Jie-Min; Wang, Jian-Hua; Gong, Gao-Quan; Qian, Sheng; Luo, Jian-Jun; Liu, Qing-Xin

2004-01-01

AIM: To determine the feasibility and safety of intraluminal brachytherapy in treatment of malignant obstructive jaundice (MOJ) and to evaluate the clinical effect of intraluminal brachytherapy on stent patency and patient survival. METHODS: Thirty-four patients with MOJ were included in this study. Having biliary stent placed, all patients were classified into intraluminal brachytherapy group (group A, n = 14) and control group (group B, n = 20) according to their own choice. Intraluminal brachytherapy regimen included: HDR-192Ir was used in the therapy, fractional doses of 4-7 Gy were given every 3-6 d for 3-4 times, and standard points were established at 0.5-1.0 cm. Some patients of both groups received transcatheter arterial chemoembolization (TACE) after stent placement. RESULTS: In group A, the success rate of intraluminal brachytherapy was 98.0%, RTOG grade 1 acute radiation morbidity occurred in 3 patients, RTOG/EORTC grade 1 late radiation morbidity occurred in 1 patient. Mean stent patency of group A (12.6 mo) was significantly longer than that of group B (8.3 mo) (P < 0.05). There was no significant difference in the mean survival (9.4 mo vs 6.0 mo) between the two groups. CONCLUSION: HDR-192Ir intraluminal brachytherapy is a safe palliative therapy in treating MOJ, and it may prolong stent patency and has the potentiality of extending survival of patients with MOJ. PMID:15526374

Generalized seniority on a deformed single-particle basis

NASA Astrophysics Data System (ADS)

Jia, L. Y.

2017-09-01

Recently, I proposed a fast computing scheme for generalized seniority on a spherical single-particle basis [J. Phys. G: Nucl. Part. Phys. 42, 115105 (2015), 10.1088/0954-3899/42/11/115105]. This work redesigns the scheme to make it applicable to deformed single-particle basis. The algorithm is applied to the rare-earth-metal nucleus 94 64 158Gd for intrinsic (body-fixed frame) neutron excitations under the low-momentum NN interaction Vlow -k. By allowing as many as four broken pairs, I compute the lowest 300 intrinsic states of several multipolarities. These states converge well to the exact ones, showing generalized seniority is very effective in truncating the deformed shell model. Under realistic interactions, the picture remains approximately valid: The ground state is a coherent pair condensate and the pairs gradually break up as excitation energy increases.

Survival and growth of salmonella in high-moisture pecan nutmeats, in-shell pecans, inedible nut components, and orchard soil.

PubMed

Beuchat, Larry R; Mann, David A

2010-11-01

Outbreaks of salmonellosis associated with almonds have raised interest in better understanding the behavior of Salmonella on other tree nuts. We undertook a study to determine the survival and growth characteristics of Salmonella on high-moisture (water activity of 0.96 to 0.99) pecan nutmeats, in-shell pecans, and inedible components (shuck, shell, and middle septum tissue) of in-shell pecans. Salmonella did not grow on high-moisture nutmeat halves, pieces, or granules stored at 4°C for up to 48 h. Growth did occur, however, at 21, 30, and 37°C. Increases of 1.77 to 5.87 log CFU/g of nutmeats occurred within 48 h at 37°C; the order in which nutmeats supported growth was granules > pieces > halves. Populations of Salmonella on and in high-moisture in-shell pecans (kernel water activity of 0.94) stored at 4, 21, 30, and 37°C for 8 days decreased by 0.52 to 1.19 log CFU/g. The pathogen grew on the surface of high-moisture (water activity of 0.99) pecan shucks and shells but died on middle septum tissue stored at 21, 30, and 37°C for up to 6 days. Salmonella died in water extracts of shucks and in pecan orchard soil saturated with water or shuck extract, but survived well for at least 18 weeks in dry soil. The ability of the pathogen to grow on high-moisture nutmeats and some of the inedible components of pecans emphasizes the importance of controlling or limiting the time pecans are exposed to water in preharvest and postharvest environments.

Analysis of Composite Skin-Stiffener Debond Specimens Using a Shell/3D Modeling Technique and Submodeling

NASA Technical Reports Server (NTRS)

OBrien, T. Kevin (Technical Monitor); Krueger, Ronald; Minguet, Pierre J.

2004-01-01

The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to tension and three-point bending was studied. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to model the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/3D simulations were in good agreement with results obtained from full solid models. The good correlation of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents. In addition, the application of the submodeling technique for the simulation of skin/stringer debond was also studied. Global models made of shell elements and solid elements were studied. Solid elements were used for local submodels, which extended between three and six specimen thicknesses on either side of the delamination front to model the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from the simulations using the submodeling technique were not in agreement with results obtained from full solid models.

Density Functional Theory (dft) Simulations of Shocked Liquid Xenon

NASA Astrophysics Data System (ADS)

Mattsson, Thomas R.; Magyar, Rudolph J.

2009-12-01

Xenon is not only a technologically important element used in laser technologies and jet propulsion, but it is also one of the most accessible materials in which to study the metal-insulator transition with increasing pressure. Because of its closed shell electronic configuration, xenon is often assumed to be chemically inert, interacting almost entirely through the van der Waals interaction, and at liquid density, is typically modeled well using Leonard-Jones potentials. However, such modeling has a limited range of validity as xenon is known to form compounds under normal conditions and likely exhibits considerably more chemistry at higher densities when hybridization of occupied orbitals becomes significant. We present DFT-MD simulations of shocked liquid xenon with the goal of developing an improved equation of state. The calculated Hugoniot to 2 MPa compares well with available experimental shock data. Sandia is a mul-tiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Density Functional Theory (DFT) Simulations of Shocked Liquid Xenon

NASA Astrophysics Data System (ADS)

Mattsson, Thomas R.; Magyar, Rudolph J.

2009-06-01

Xenon is not only a technologically important element used in laser technologies and jet propulsion, but it is also one of the most accessible materials in which to study the metal-insulator transition with increasing pressure. Because of its closed shell electronic configuration, Xenon is often assumed to be chemically inert, interacting almost entirely through the van der Waals interaction, and at liquid density, is typically modeled well using Leonard-Jones potentials. However, such modeling has a limited range of validity as Xenon is known to form compounds at normal conditions and likely exhibits considerably more chemistry at higher densities when hybridization of occupied orbitals becomes significant. In this talk, we present DFT-MD simulations of shocked liquid Xenon with the goal of developing an improved equation of state. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

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

Hanula, J.L.; Lipcomb, D.; Franzreb, K.E.

The authors studied diets of nestling red-cockaded woodpeckers for two years on three sites in South Carolina and Georgia. Cameras recorded 33 different types of prey. Wood roaches were the most common, amounting to 50% of the prey. In addition, blueberries and saw fly larvae were collected by birds. Snail shells were also collected. Morista's index of diet overlap ranged from 0.94 to 0.99 for breeding males and females. We conclude that nestling diets are similar across the region.

Optical properties of light absorbing carbon aggregates mixed with sulfate: assessment of different model geometries for climate forcing calculations.

PubMed

Kahnert, Michael; Nousiainen, Timo; Lindqvist, Hannakaisa; Ebert, Martin

2012-04-23

Light scattering by light absorbing carbon (LAC) aggregates encapsulated into sulfate shells is computed by use of the discrete dipole method. Computations are performed for a UV, visible, and IR wavelength, different particle sizes, and volume fractions. Reference computations are compared to three classes of simplified model particles that have been proposed for climate modeling purposes. Neither model matches the reference results sufficiently well. Remarkably, more realistic core-shell geometries fall behind homogeneous mixture models. An extended model based on a core-shell-shell geometry is proposed and tested. Good agreement is found for total optical cross sections and the asymmetry parameter. © 2012 Optical Society of America

Experimental study and modeling of atomic-scale friction in zigzag and armchair lattice orientations of MoS2.

PubMed

Li, Meng; Shi, Jialin; Liu, Lianqing; Yu, Peng; Xi, Ning; Wang, Yuechao

2016-01-01

Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS 2 ) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately, there is no comprehensive model that can describe the probe motion mechanism. In this paper, we report a tribological study of MoS 2 in zigzag and armchair orientations. We observed a characteristic power spectrum and friction force values. To explain our results, we developed a modified, two-dimensional, stick-slip Tomlinson model that allows simulation of the probe motion on MoS 2 surfaces by combining the motion in the Mo layer and S layer. Our model fits well with the experimental data and provides a theoretical basis for tribological studies of two-dimensional materials.

Isospin symmetry breaking and large-scale shell-model calculations with the Sakurai-Sugiura method

NASA Astrophysics Data System (ADS)

Mizusaki, Takahiro; Kaneko, Kazunari; Sun, Yang; Tazaki, Shigeru

2015-05-01

Recently isospin symmetry breaking for mass 60-70 region has been investigated based on large-scale shell-model calculations in terms of mirror energy differences (MED), Coulomb energy differences (CED) and triplet energy differences (TED). Behind these investigations, we have encountered a subtle problem in numerical calculations for odd-odd N = Z nuclei with large-scale shell-model calculations. Here we focus on how to solve this subtle problem by the Sakurai-Sugiura (SS) method, which has been recently proposed as a new diagonalization method and has been successfully applied to nuclear shell-model calculations.

Symplectic no-core shell-model approach to intermediate-mass nuclei

NASA Astrophysics Data System (ADS)

Tobin, G. K.; Ferriss, M. C.; Launey, K. D.; Dytrych, T.; Draayer, J. P.; Dreyfuss, A. C.; Bahri, C.

2014-03-01

We present a microscopic description of nuclei in the intermediate-mass region, including the proximity to the proton drip line, based on a no-core shell model with a schematic many-nucleon long-range interaction with no parameter adjustments. The outcome confirms the essential role played by the symplectic symmetry to inform the interaction and the winnowing of shell-model spaces. We show that it is imperative that model spaces be expanded well beyond the current limits up through 15 major shells to accommodate particle excitations, which appear critical to highly deformed spatial structures and the convergence of associated observables.

Molybdenum-carbon bond dissociation energies in Mo(CO) sub 6

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

Ganske, J.A.; Rosenfeld, R.N.

1990-05-17

The pressure dependence of the recombination rate constants for Mo(CO){sub n} (n = 3,4 and 5) with CO has been studied by time-resolved infrared laser absorption spectroscopy. These data, in conjunction with an RRKM model for unimolecular decay of the activated molecules (Mo(CO){sub 6})*, (Mo(CO){sub 5})*, and (Mo(CO){sub 4})*, have allowed the determination of the bond dissociation energies for several of the Mo-C bonds in Mo(CO){sub 6}. The first Mo-C bond dissociation energies for Mo(CO){sub 6}, Mo(CO){sub 5}, and Mo(CO){sub 4} are found to be DH{degree}((CO){sub 5}Mo{hor ellipsis}CO) = 35 {plus minus} 5 kcal/mol, DH{degree}((CO){sub 4}Mo{hor ellipsis}CO) = 27 {plusmore » minus} 5 kcal/mol, and DH{degree}((CO){sub 3}Mo{hor ellipsis}CO) = 31 {plus minus} 5 kcal/mol.« less

Monte Carlo simulations of nematic and chiral nematic shells

NASA Astrophysics Data System (ADS)

Wand, Charlie R.; Bates, Martin A.

2015-01-01

We present a systematic Monte Carlo simulation study of thin nematic and cholesteric shells with planar anchoring using an off-lattice model. The results obtained using the simple model correspond with previously published results for lattice-based systems, with the number, type, and position of defects observed dependent on the shell thickness with four half-strength defects in a tetrahedral arrangement found in very thin shells and a pair of defects in a bipolar (boojum) configuration observed in thicker shells. A third intermediate defect configuration is occasionally observed for intermediate thickness shells, which is stabilized in noncentrosymmetric shells of nonuniform thickness. Chiral nematic (cholesteric) shells are investigated by including a chiral term in the potential. Decreasing the pitch of the chiral nematic leads to a twisted bipolar (chiral boojum) configuration with the director twist increasing from the inner to the outer surface.

Deriving the nuclear shell model from first principles

NASA Astrophysics Data System (ADS)

Barrett, Bruce R.; Dikmen, Erdal; Vary, James P.; Maris, Pieter; Shirokov, Andrey M.; Lisetskiy, Alexander F.

2014-09-01

The results of an 18-nucleon No Core Shell Model calculation, performed in a large basis space using a bare, soft NN interaction, can be projected into the 0 ℏω space, i.e., the sd -shell. Because the 16 nucleons in the 16O core are frozen in the 0 ℏω space, all the correlations of the 18-nucleon system are captured by the two valence, sd -shell nucleons. By the projection, we obtain microscopically the sd -shell 2-body effective interactions, the core energy and the sd -shell s.p. energies. Thus, the input for standard shell-model calculations can be determined microscopically by this approach. If the same procedure is then applied to 19-nucleon systems, the sd -shell 3-body effective interactions can also be obtained, indicating the importance of these 3-body effective interactions relative to the 2-body effective interactions. Applications to A = 19 and heavier nuclei with different intrinsic NN interactions will be presented and discussed. The results of an 18-nucleon No Core Shell Model calculation, performed in a large basis space using a bare, soft NN interaction, can be projected into the 0 ℏω space, i.e., the sd -shell. Because the 16 nucleons in the 16O core are frozen in the 0 ℏω space, all the correlations of the 18-nucleon system are captured by the two valence, sd -shell nucleons. By the projection, we obtain microscopically the sd -shell 2-body effective interactions, the core energy and the sd -shell s.p. energies. Thus, the input for standard shell-model calculations can be determined microscopically by this approach. If the same procedure is then applied to 19-nucleon systems, the sd -shell 3-body effective interactions can also be obtained, indicating the importance of these 3-body effective interactions relative to the 2-body effective interactions. Applications to A = 19 and heavier nuclei with different intrinsic NN interactions will be presented and discussed. Supported by the US NSF under Grant No. 0854912, the US DOE under Grants Nos. DESC0008485 and DE-FG02-87ER40371, the Higher Education Council of Turkey(YOK), and the Ministry of Education and Science of Russian Fed. under contracts P521 and 14.v37.21.1297.

Electronic structures and nonlinear optical properties of trinuclear transition metal clusters M-(mu-S)-M' (M = Mo, W; M' = Cu, Ag, Au).

PubMed

Chen, Xihua; Wu, Kechen; Snijders, Jaap G; Lin, Chensheng

2003-01-27

A series of trinuclear metal clusters MS4(M'PPh3)2(M'PPh3) (M = Mo, W; M' = Cu, Ag, Au) have been studied using the density functional theory (DFT) method. The static polarizabilities and hyperpolarizabilities of the model clusters have been calculated using the finite-field (F-F) method. The model clusters, divided into two groups, are alike in the structure of two fragments of rhombic units M-(mu-S)2-M' (M = Mo, W; M' = Cu, Ag, Au), perpendicular to each other, which are joined by sharing the bridge metal M. It is the charge transfer from one of these moieties to the other in these characteristic sulfido-transitional metal cores that is responsible for the polarizabilities and hyperpolarizabilities. This kind of electronic delocalization, different from that of the planar pi-system, is interesting and warrants further investigation. The structural effects on properties are important. In these models, considerable third-order nonlinearities are exhibited. The element substitution effect of Mo and W is weak, while that of Cu and Ag is relatively substantial. An overall order is gamma xxxx(Mo-Ag) > gamma xxxx(W-Ag) > gamma xxxx(Mo-Au) > gamma xxxx(W-Au) > gamma xxxx (Mo-Cu) > gamma xxxx(W-Cu) and gamma av(Mo-Ag) approximately gamma av(W-Ag) > gamma av(Mo-Au) approximately gamma av(W-Au) approximately gamma av (Mo-Cu) approximately gamma av(W-Cu).

Thin Shell Model for NIF capsule stagnation studies

NASA Astrophysics Data System (ADS)

Hammer, J. H.; Buchoff, M.; Brandon, S.; Field, J. E.; Gaffney, J.; Kritcher, A.; Nora, R. C.; Peterson, J. L.; Spears, B.; Springer, P. T.

2015-11-01

We adapt the thin shell model of Ott et al. to asymmetric ICF capsule implosions on NIF. Through much of an implosion, the shell aspect ratio is large so the thin shell approximation is well satisfied. Asymmetric pressure drive is applied using an analytic form for ablation pressure as a function of the x-ray flux, as well as time-dependent 3D drive asymmetry from hohlraum calculations. Since deviations from a sphere are small through peak velocity, we linearize the equations, decompose them by spherical harmonics and solve ODE's for the coefficients. The model gives the shell position, velocity and areal mass variations at the time of peak velocity, near 250 microns radius. The variables are used to initialize 3D rad-hydro calculations with the HYDRA and ARES codes. At link time the cold fuel shell and ablator are each characterized by a density, adiabat and mass. The thickness, position and velocity of each point are taken from the thin shell model. The interior of the shell is filled with a uniform gas density and temperature consistent with the 3/2PV energy found from 1D rad-hydro calculations. 3D linked simulations compare favorably with integrated simulations of the entire implosion. Through generating synthetic diagnostic data, the model offers a method for quickly testing hypothetical sources of asymmetry and comparing with experiment. Prepared by LLNL under Contract DE-AC52-07NA27344.

HR Del REMNANT ANATOMY USING TWO-DIMENSIONAL SPECTRAL DATA AND THREE-DIMENSIONAL PHOTOIONIZATION SHELL MODELS

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

Moraes, Manoel; Diaz, Marcos

2009-12-15

The HR Del nova remnant was observed with the IFU-GMOS at Gemini North. The spatially resolved spectral data cube was used in the kinematic, morphological, and abundance analysis of the ejecta. The line maps show a very clumpy shell with two main symmetric structures. The first one is the outer part of the shell seen in H{alpha}, which forms two rings projected in the sky plane. These ring structures correspond to a closed hourglass shape, first proposed by Harman and O'Brien. The equatorial emission enhancement is caused by the superimposed hourglass structures in the line of sight. The second structuremore » seen only in the [O III] and [N II] maps is located along the polar directions inside the hourglass structure. Abundance gradients between the polar caps and equatorial region were not found. However, the outer part of the shell seems to be less abundant in oxygen and nitrogen than the inner regions. Detailed 2.5-dimensional photoionization modeling of the three-dimensional shell was performed using the mass distribution inferred from the observations and the presence of mass clumps. The resulting model grids are used to constrain the physical properties of the shell as well as the central ionizing source. A sequence of three-dimensional clumpy models including a disk-shaped ionization source is able to reproduce the ionization gradients between polar and equatorial regions of the shell. Differences between shell axial ratios in different lines can also be explained by aspherical illumination. A total shell mass of 9 x 10{sup -4} M {sub sun} is derived from these models. We estimate that 50%-70% of the shell mass is contained in neutral clumps with density contrast up to a factor of 30.« less

MoCha: Molecular Characterization of Unknown Pathways.

PubMed

Lobo, Daniel; Hammelman, Jennifer; Levin, Michael

2016-04-01

Automated methods for the reverse-engineering of complex regulatory networks are paving the way for the inference of mechanistic comprehensive models directly from experimental data. These novel methods can infer not only the relations and parameters of the known molecules defined in their input datasets, but also unknown components and pathways identified as necessary by the automated algorithms. Identifying the molecular nature of these unknown components is a crucial step for making testable predictions and experimentally validating the models, yet no specific and efficient tools exist to aid in this process. To this end, we present here MoCha (Molecular Characterization), a tool optimized for the search of unknown proteins and their pathways from a given set of known interacting proteins. MoCha uses the comprehensive dataset of protein-protein interactions provided by the STRING database, which currently includes more than a billion interactions from over 2,000 organisms. MoCha is highly optimized, performing typical searches within seconds. We demonstrate the use of MoCha with the characterization of unknown components from reverse-engineered models from the literature. MoCha is useful for working on network models by hand or as a downstream step of a model inference engine workflow and represents a valuable and efficient tool for the characterization of unknown pathways using known data from thousands of organisms. MoCha and its source code are freely available online under the GPLv3 license.

Phase stability of Keplerate-type polyoxomolybdates controlled by added cationic surfactant.

PubMed

Fan, Dawei; Hao, Jingcheng

2009-05-15

Phase stability of two nanometer-scale Keplerate-type polyoxomolybdates, (NH(4))(42)[Mo(VI)(72)Mo(V)(60)O(372)(CH(3)COO)(30)(H(2)O)(72)]300H(2)O10CH(3)COONH(4) ({Mo(132)}) and Mo(VI)(72)Fe(III)(30)O(252)L(102)ca. 180H(2)O with L=H(2)O/CH(3)COO(-)/Mo(2)O(n-)(8/9) ({Mo(72)Fe(30)}), can be easily achieved by controlling the concentration of a cationic surfactant, tetradecyltrimethylammonium bromide (TTABr), in aqueous solution. Precipitates and floccules were observed when the stoichiometric ratios of rTTA+/{Mo132} and rTTA+/{Mo72Fe30} were 40:1 and 90:1, respectively, which were determined by zeta potential measurements. The surface charge properties and structure morphologies of {Mo(132)} and {Mo(72)Fe(30)} induced by controlling cationic TTABr in aqueous solution were determined by zeta potential measurements and transmission electron microscopy (TEM) observations. {Mo(132)} and {Mo(72)Fe(30)} can self-assemble into supramolecular "Blackberry" structures and exist at compositions less than the stoichiometric ratios of rTTA+/{Mo132} and rTTA+/{Mo72Fe30} in aqueous solution. Above the 1:1 stoichiometric ratio of TTABr/{Mo(132)} or TTABr/{Mo(72)Fe(30)}, the precipitates and floccules dissolve. Dynamic laser light scattering (DLS) measurements clearly demonstrated that the R(h) values have essentially no angular dependence at excess amounts of TTABr, suggesting the presence of spherically symmetric aggregates of {Mo(132)} and {Mo(72)Fe(30)}. Bilayer-like structures in aqueous solution were also demonstrated by TEM images. The interesting phase transition observed in our model systems of {Mo(132)} and {Mo(72)Fe(30)} macroanions with high chemical stability, similar shape, and masses could provide models for the understanding of more complex polyelectrolyte solutions and self-assembled soft magnetic materials and in bioapplications for highly selective adsorbents of proteins with different molecular sizes and charges.

Modeling Early-Stage Processes of U-10 Wt.%Mo Alloy Using Integrated Computational Materials Engineering Concepts

NASA Astrophysics Data System (ADS)

Wang, Xiaowo; Xu, Zhijie; Soulami, Ayoub; Hu, Xiaohua; Lavender, Curt; Joshi, Vineet

2017-12-01

Low-enriched uranium alloyed with 10 wt.% molybdenum (U-10Mo) has been identified as a promising alternative to high-enriched uranium. Manufacturing U-10Mo alloy involves multiple complex thermomechanical processes that pose challenges for computational modeling. This paper describes the application of integrated computational materials engineering (ICME) concepts to integrate three individual modeling components, viz. homogenization, microstructure-based finite element method for hot rolling, and carbide particle distribution, to simulate the early-stage processes of U-10Mo alloy manufacture. The resulting integrated model enables information to be passed between different model components and leads to improved understanding of the evolution of the microstructure. This ICME approach is then used to predict the variation in the thickness of the Zircaloy-2 barrier as a function of the degree of homogenization and to analyze the carbide distribution, which can affect the recrystallization, hardness, and fracture properties of U-10Mo in subsequent processes.

Physiological characterization of a mouse model of cachexia in colorectal liver metastases.

PubMed

Murphy, Kate T; Struk, Adam; Malcontenti-Wilson, Cathy; Christophi, Christopher; Lynch, Gordon S

2013-05-15

Loss of skeletal muscle mass and function (cachexia) is severe in patients with colorectal liver metastases because of the large increase in resting energy expenditure but remains understudied because of a lack of suitable preclinical models. Our aim was to characterize a novel preclinical model of cachexia in colorectal liver metastases. We tested the hypothesis that mice with colorectal liver metastases would exhibit cachexia, as evidenced by a reduction in liver-free body mass, muscle mass, and physiological impairment. Twelve-week-old male CBA mice received an intrasplenic injection of Ringer solution (sham) or murine colorectal cancer cells (MoCR) to induce colorectal liver metastases. At end-point (20-29 days), the livers of MoCR mice were infiltrated completely with metastases, and MoCR mice had reduced liver-free body mass, muscle mass, and epididymal fat mass compared with sham controls (P < 0.03). MoCR mice exhibited impaired rotarod performance and grip strength (P < 0.03). Histochemical analyses of tibialis anterior muscles from MoCR mice revealed muscle fiber atrophy and reduced oxidative enzyme activity (P < 0.001). Adipose tissue remodeling was evident in MoCR mice, with reduced adipocyte diameter and greater infiltration of nonadipocyte tissue (P < 0.05). These findings reveal the MoCR mouse model exhibits significant cachexia and is a suitable preclinical model of cachexia in colorectal liver metastases. This model should be used for identifying effective treatments for cachexia to improve quality of life and reduce mortality in patients with colorectal liver metastases.

Measurement of the 97Mo(n ,γ ) reaction with the DANCE γ calorimeter array

NASA Astrophysics Data System (ADS)

Walker, C. L.; Krtička, M.; Baramsai, B.; Bečvář, F.; Bredeweg, T. A.; Chyzh, A.; Haight, R. C.; Jandel, M.; Kroll, J.; Mitchell, G. E.; O'Donnell, J. M.; Rundberg, R. S.; Ullmann, J. L.; Valenta, S.; Wilhelmy, J. B.

2015-07-01

Spectra of γ rays following the 97Mo(n ,γ ) reaction were measured as a function of incident neutron energy with the DANCE (Detector for Advanced Neutron Capture Experiments) array of 160 BaF2 scintillation detectors at the Los Alamos Neutron Science Center using an enriched 97Mo target. These spectra were used for the assignment of spins of the 97Mo resonances up to neutron energy En=1.7 keV, as well as in the study of photon strength functions (PSFs) in 98Mo. Analysis of the spectra with the nuclear statistical model showed that they can be well reproduced with the same PSF models which well described the γ decay following slow neutron capture in 95Mo. On the other hand, the spectra are inconsistent with PSFs describing some other experimental data in 98Mo.

Shell effects in a multinucleon transfer process

NASA Astrophysics Data System (ADS)

Zhu, Long; Wen, Pei-Wei; Lin, Cheng-Jian; Bao, Xiao-Jun; Su, Jun; Li, Cheng; Guo, Chen-Chen

2018-04-01

The shell effects in multinucleon transfer process are investigated in the systems 136Xe + 198Pt and 136Xe + 208Pb within the dinuclear system (DNS) model. The temperature dependence of shell corrections on potential energy surface is taken into account in the DNS model and remarkable improvement for description of experimental data is noticed. The reactions 136Xe + 186W and 150Nd + 186W are also studied. It is found that due to shell effects the projectile 150Nd is more promising for producing transtarget nuclei rather than 136Xe with neutron shell closure.

Storytelling in the Early Bereavement Period to Reduce Emotional Distress Among Surrogates Involved in a Decision to Limit Life Support in the ICU: A Pilot Feasibility Trial.

PubMed

Barnato, Amber E; Schenker, Yael; Tiver, Greer; Dew, Mary Amanda; Arnold, Robert M; Nunez, Eduardo R; Reynolds, Charles F

2017-01-01

Surrogate decision makers involved in decisions to limit life support for an incapacitated patient in the ICU have high rates of adverse emotional health outcomes distinct from normal processes of grief and bereavement. Narrative self-disclosure (storytelling) reduces emotional distress after other traumatic experiences. We sought to assess the feasibility, acceptability, and tolerability of storytelling among bereaved surrogates involved in a decision to limit life support in the ICU. Pilot single-blind trial. Five ICUs across three hospitals within a single health system between June 2013 and November 2014. Bereaved surrogates of ICU patients. Storytelling and control conditions involved printed bereavement materials and follow-up assessments. Storytelling involved a single 1- to 2-hour home or telephone visit by a trained interventionist who elicited the surrogate's story. The primary outcomes were feasibility (rates of enrollment, intervention receipt, 3- and 6-mo follow-up), acceptability (closed and open-ended end-of-study feedback at 6 mo), and tolerability (acute mental health services referral). Of 53 eligible surrogates, 32 (60%) consented to treatment allocation. Surrogates' mean age was 55.5 (SD, 11.8), and they were making decisions for their parent (47%), spouse (28%), sibling (13%), child (3%), or other relation (8%). We allocated 14 to control and 18 to storytelling, 17 of 18 (94%) received storytelling, 14 of 14 (100%) and 13 of 14 (94%) control subjects and 16 of 18 (89%) and 17 of 18 (94%) storytelling subjects completed their 3- and 6-month telephone assessments. At 6 months, nine of 13 control participants (69%) and 16 of 17 storytelling subjects (94%) reported feeling "better" or "much better," and none felt "much worse." One control subject (8%) and one storytelling subject (6%) said that the study was burdensome, and one control subject (8%) wished they had not participated. No subjects required acute mental health services referral. A clinical trial of storytelling in this study population is feasible, acceptable, and tolerable.

Modeling of nonlinear viscous stress in encapsulating shells of lipid-coated contrast agent microbubbles

PubMed Central

Doinikov, Alexander A.; Haac, Jillian F.; Dayton, Paul A.

2009-01-01

A general theoretical approach to the development of zero-thickness encapsulation models for contrast microbubbles is proposed. The approach describes a procedure that allows one to recast available rheological laws from the bulk form to a surface form which is used in a modified Rayleigh-Plesset equation governing the radial dynamics of a contrast microbubble. By the use of the proposed procedure, the testing of different rheological laws for encapsulation can be carried out. Challenges of existing shell models for lipid-encapsulated microbubbles, such as the dependence of shell parameters on the initial bubble radius and the “compression-only” behavior, are discussed. Analysis of the rheological behavior of lipid encapsulation is made by using experimental radius-time curves for lipid-coated microbubbles with radii in the range 1.2 – 2.5 μm. The curves were acquired for a research phospholipid-coated contrast agent insonified with a 20-cycle, 3.0 MHz, 100 kPa acoustic pulse. The fitting of the experimental data by a model which treats the shell as a viscoelastic solid gives the values of the shell surface viscosity increasing from 0.30×10-8 kg/s to 2.63×10-8 kg/s for the range of bubble radii indicated above. The shell surface elastic modulus increases from 0.054 N/m to 0.37 N/m. It is proposed that this increase may be a result of the lipid coating possessing the properties of both a shear-thinning and a strain-softening material. We hypothesize that these complicated rheological properties do not allow the existing shell models to satisfactorily describe the dynamics of lipid encapsulation. In the existing shell models, the viscous and the elastic shell terms have the linear form which assumes that the viscous and the elastic stresses acting inside the lipid shell are proportional to the shell shear rate and the shell strain, respectively, with constant coefficients of proportionality. The analysis performed in the present paper suggests that a more general, nonlinear theory may be more appropriate. It is shown that the use of the nonlinear theory for shell viscosity allows one to model the “compression-only” behavior. As an example, the results of the simulation for a 2.03- μm-radius bubble insonified with a 6-cycle, 1.8 MHz, 100 kPa acoustic pulse are given. These parameters correspond to the acoustic conditions under which the “compression-only” behavior was observed by de Jong et al. [Ultrasound Med. Biol. 33 (2007) 653–656]. It is also shown that the use of the Cross law for the modeling of the shear-thinning behavior of shell viscosity reduces the variance of experimentally estimated values of the shell viscosity and its dependence on the initial bubble radius. PMID:18990417

A compact circumstellar shell as the source of high-velocity features in SN 2011fe

NASA Astrophysics Data System (ADS)

Mulligan, Brian W.; Wheeler, J. Craig

2018-05-01

High-velocity features (HVFs), especially of Ca II, are frequently seen in Type Ia supernova observed prior to B-band maximum (Bmax). These HVFs evolve in velocity from more than 25 000 km s-1, in the days after first light, to about 18 000 km s-1 near Bmax. To recreate the evolution of the Ca II near-infrared triplet (CaNIR) HVFs in SN 2011fe, we consider the interaction between a model Type Ia supernova and compact circumstellar shells with masses between 0.003 and 0.012 M⊙. We fit the observed CaNIR feature using synthetic spectra generated from the models using SYN++. The CaNIR feature is better explained by the supernova model interacting with a shell than the model without a shell, with a shell of mass 0.005 M⊙ tending to be better fitting than the other shells. The evolution of the optical depth of CaNIR suggests that the ionization state of calcium within the ejecta and shell is not constant. We discuss the method used to measure the observed velocity of CaNIR and other features and conclude that HVFs or other components can be falsely identified. We briefly discuss the possible origin of the shells and the implications for the progenitor system of the supernova.

Inner-shell radiation from wire array implosions on the Zebra generator

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

Ouart, N. D.; Giuliani, J. L.; Dasgupta, A.

2014-03-15

Implosions of brass wire arrays on Zebra have produced L-shell radiation as well as inner-shell Kα and Kβ transitions. The L-shell radiation comes from ionization stages around the Ne-like charge state that is largely populated by a thermal electron energy distribution function, while the K-shell photons are a result of high-energy electrons ionizing or exciting an inner-shell (1s) electron from ionization stages around Ne-like. The K- and L-shell radiations were captured using two time-gated and two axially resolved time-integrated spectrometers. The electron beam was measured using a Faraday cup. A multi-zone non-local thermodynamic equilibrium pinch model with radiation transport ismore » used to model the x-ray emission from experiments for the purpose of obtaining plasma conditions. These plasma conditions are used to discuss some properties of the electron beam generated by runaway electrons. A simple model for runaway electrons is examined to produce the Kα radiation, but it is found to be insufficient.« less

A model for large amplitude oscillations of coated bubbles accounting for buckling and rupture

NASA Astrophysics Data System (ADS)

Marmottant, Philippe; van der Meer, Sander; Emmer, Marcia; Versluis, Michel; de Jong, Nico; Hilgenfeldt, Sascha; Lohse, Detlef

2005-12-01

We present a model applicable to ultrasound contrast agent bubbles that takes into account the physical properties of a lipid monolayer coating on a gas microbubble. Three parameters describe the properties of the shell: a buckling radius, the compressibility of the shell, and a break-up shell tension. The model presents an original non-linear behavior at large amplitude oscillations, termed compression-only, induced by the buckling of the lipid monolayer. This prediction is validated by experimental recordings with the high-speed camera Brandaris 128, operated at several millions of frames per second. The effect of aging, or the resultant of repeated acoustic pressure pulses on bubbles, is predicted by the model. It corrects a flaw in the shell elasticity term previously used in the dynamical equation for coated bubbles. The break-up is modeled by a critical shell tension above which gas is directly exposed to water.

Computational Fluid Dynamics Modeling of Macrosegregation and Shrinkage in Large-Diameter Steel Roll Castings

NASA Astrophysics Data System (ADS)

Nastac, Laurentiu

2011-12-01

Minimizing macrosegregation and shrinkage in large cast steel mill rolls challenges the limits of commercial foundry technology. Processing improvements have been achieved by balancing the total heat input of casting with the rate of heat extraction from the surface of the roll in the mold. A submerged entry nozzle (SEN) technique that injects a dilute alloy addition through a nozzle into the partially solidified net-shaped roll ingot can mitigate both centerline segregation and midradius channel segregate conditions. The objective of this study is to optimize the melt chemistry, solidification, and SEN conditions to minimize centerline and midradius segregation, and then to improve the quality of the transition region between the outer shell and the diluted interior region. To accomplish this objective, a multiphase, multicomponent computational fluid dynamics (CFD) code was developed for studying the macrosegregation and shrinkage under various casting conditions for a 65-ton, 1.6-m-diameter steel roll. The developed CFD framework consists of solving for the volume fraction of phases (air and steel mixture), temperature, flow, and solute balance in multicomponent alloy systems. Thermal boundary conditions were determined by measuring the temperature in the mold at several radial depths and height locations. The thermophysical properties including viscosity of steel alloy used in the simulations are functions of temperature. The steel mixture in the species-transfer model consists of the following elements: Fe, Mn, Si, S, P, C, Cr, Mo, and V. Density and liquidus temperature of the steel mixture are locally affected by the segregation of these elements. The model predictions were validated against macrosegregation measured from pieces cut from the 65-ton roll. The effect of key processing parameters such as melt composition and superheat of both the shell and the dilute interior alloy are addressed. The influence of mold type and thickness on macrosegregation and shrinkage also are discussed.

Updating the Jovian Proton Radiation Environment - 2015

NASA Technical Reports Server (NTRS)

Garrett, Henry; Martinez-Sierra, Luz Maria; Evans, Robin

2015-01-01

Since publication in 1983 by N. Divine and H. Garrett, the Jet Propulsion Laboratory's plasma and radiation models have been the design standard for NASA's missions to Jupiter. These models consist of representations of the cold plasma and electrons, the warm and auroral electrons and protons, and the radiation environment (electron, proton, and heavy ions). To date, however, the high-energy proton model has been limited to an L-shell of 12. With the requirement to compute the effects of the high energy protons and other heavy ions on the proposed Europa mission, the extension of the high energy proton model from approximately 12 L-shell to approximately 50 L-shell has become necessary. In particular, a model of the proton environment over that range is required to estimate radiation effects on the solar arrays for the mission. This study describes both the steps taken to extend the original Divine proton model out to an approximately 50 L-shell and the resulting model developed to accomplish that goal. In addition to hydrogen, the oxygen, sulfur, and helium heavy ion environments have also been added between approximately 6 L-shell and approximately 50 L-shell. Finally, selected examples of the model's predictions are presented to illustrate the uses of the tool.

Adsorption of methyl orange by synthesized and functionalized-CNTs with 3-aminopropyltriethoxysilane loaded TiO2 nanocomposites.

PubMed

Ahmad, Amirah; Razali, Mohd Hasmizam; Mamat, Mazidah; Mehamod, Faizatul Shimal Binti; Anuar Mat Amin, Khairul

2017-02-01

This study aims to develop a highly efficient adsorbent material. CNTs are prepared using a chemical vapor deposition method with acetylene and synthesized mesoporous Ni-MCM41 as the carbon source and catalyst, respectively, and are then functionalized using 3-aminopropyltriethoxysilane (APTES) through the co-condensation method and loaded with commercial TiO 2 . Results of X-ray powder diffraction (XRD), Raman spectra, and Fourier transform infrared spectroscopy (FTIR) confirm that the synthesized CNTs grown are multi-walled carbon nanotubes (MWNTs). Transmission electron microscopy shows good dispersion of TiO 2 nanoparticles onto functionalized-CNTs loaded TiO 2 , with the diameter of a hair-like structure measuring between 3 and 8 nm. The functionalized-CNTs loaded TiO 2 are tested as an adsorbent for removal of methyl orange (MO) in aqueous solution, and results show that 94% of MO is removed after 10 min of reaction, and 100% after 30 min. The adsorption kinetic model of functionalized-CNTs loaded TiO 2 follows a pseudo-second order with a maximum adsorption capacity of 42.85 mg/g. This study shows that functionalized-CNTs loaded TiO 2 has considerable potential as an adsorbent material due to the short adsorption time required to achieve equilibrium. Copyright © 2016 Elsevier Ltd. All rights reserved.

Studies of fission fragment yields via high-resolution γ-ray spectroscopy

NASA Astrophysics Data System (ADS)

Wilson, J. N.; Lebois, M.; Qi, L.; Amador-Celdran, P.; Bleuel, D.; Briz, J. A.; Carroll, R.; Catford, W.; Witte, H. De; Doherty, D. T.; Eloirdi, R.; Georgiev, G.; Gottardo, A.; Goasduff, A.; Hadyñska-Klek, K.; Hauschild, K.; Hess, H.; Ingeberg, V.; Konstantinopoulos, T.; Ljungvall, J.; Lopez-Martens, A.; Lorusso, G.; Lozeva, R.; Lutter, R.; Marini, P.; Matea, I.; Materna, T.; Mathieu, L.; Oberstedt, A.; Oberstedt, S.; Panebianco, S.; Podolyak, Zs.; Porta, A.; Regan, P. H.; Reiter, P.; Rezynkina, K.; Rose, S. J.; Sahin, E.; Seidlitz, M.; Serot, O.; Shearman, R.; Siebeck, B.; Siem, S.; Smith, A. G.; Tveten, G. M.; Verney, D.; Warr, N.; Zeiser, F.; Zielinska, M.

2018-03-01

Precise spectroscopic information on the fast neutron induced fission of the 238U(n,f) reaction was recently gained using a new technique which involved coupling of the Miniball high resolution y-ray spectrometer and the LICORNE directional neutron source. The experiment allowed measurement of the isotopic fission yields for around 40 even-even nuclei at an incident neutron energy of around 2 MeV where yield data are very sparse. In addition spectroscopic information on very neutron-rich fission products was obtained. Results were compared to models, both the JEFF-3.1.1 data base and the GEF code, and large discrepancies for the S1 fission mode in the Sn/Mo isotope pair were discovered. This suggests that current models are overestimating the role played by spherical shell effects in fast neutron induced fission. In late 2017 and 2018 the nu-ball hybrid spectrometer will be constructed at the IPN Orsay to perform further experimental investigations with directional neutrons coupled to a powerful hybrid Ge/LaBr3 detector array. This will open up new possibilities for measurements of fission yields for fast-neutron-induced fission using the spectroscopic technique and will be complimentary to other methods being developed.

Effects of Combined Loads on the Nonlinear Response and Residual Strength of Damaged Stiffened Shells

NASA Technical Reports Server (NTRS)

Starnes, James H., Jr.; Rose, Cheryl A.; Rankin, Charles C.

1996-01-01

The results of an analytical study of the nonlinear response of stiffened fuselage shells with long cracks are presented. The shells are modeled with a hierarchical modeling strategy and analyzed with a nonlinear shell analysis code that maintains the shell in a nonlinear equilibrium state while the crack is grown. The analysis accurately accounts for global and local structural response phenomena. Results are presented for various combinations of internal pressure and mechanical loads, and the effects of crack orientation on the shell response are described. The effects of combined loading conditions and the effects of varying structural parameters on the stress-intensity factors associated with a crack are presented.

Flexible configuration-interaction shell-model many-body solver

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

Johnson, Calvin W.; Ormand, W. Erich; McElvain, Kenneth S.

BIGSTICK Is a flexible configuration-Interaction open-source shell-model code for the many-fermion problem In a shell model (occupation representation) framework. BIGSTICK can generate energy spectra, static and transition one-body densities, and expectation values of scalar operators. Using the built-in Lanczos algorithm one can compute transition probabflity distributions and decompose wave functions into components defined by group theory.

The Vibration Analysis of Tube Bundles Induced by Fluid Elastic Excitation in Shell Side of Heat Exchanger

NASA Astrophysics Data System (ADS)

Bao, Minle; Wang, Lu; Li, Wenyao; Gao, Tianze

2017-09-01

Fluid elastic excitation in shell side of heat exchanger was deduced theoretically in this paper. Model foundation was completed by using Pro / Engineer software. The finite element model was constructed and imported into the FLUENT module. The flow field simulation adopted the dynamic mesh model, RNG k-ε model and no-slip boundary conditions. Analysing different positions vibration of tube bundles by selecting three regions in shell side of heat exchanger. The results show that heat exchanger tube bundles at the inlet of the shell side are more likely to be failure due to fluid induced vibration.

An Efficient Analysis Methodology for Fluted-Core Composite Structures

NASA Technical Reports Server (NTRS)

Oremont, Leonard; Schultz, Marc R.

2012-01-01

The primary loading condition in launch-vehicle barrel sections is axial compression, and it is therefore important to understand the compression behavior of any structures, structural concepts, and materials considered in launch-vehicle designs. This understanding will necessarily come from a combination of test and analysis. However, certain potentially beneficial structures and structural concepts do not lend themselves to commonly used simplified analysis methods, and therefore innovative analysis methodologies must be developed if these structures and structural concepts are to be considered. This paper discusses such an analysis technique for the fluted-core sandwich composite structural concept. The presented technique is based on commercially available finite-element codes, and uses shell elements to capture behavior that would normally require solid elements to capture the detailed mechanical response of the structure. The shell thicknesses and offsets using this analysis technique are parameterized, and the parameters are adjusted through a heuristic procedure until this model matches the mechanical behavior of a more detailed shell-and-solid model. Additionally, the detailed shell-and-solid model can be strategically placed in a larger, global shell-only model to capture important local behavior. Comparisons between shell-only models, experiments, and more detailed shell-and-solid models show excellent agreement. The discussed analysis methodology, though only discussed in the context of fluted-core composites, is widely applicable to other concepts.

The conversion of CO 2 to methanol on orthorhombic β-Mo 2C and Cu/β-Mo 2C catalysts: Mechanism for admetal induced change in the selectivity and activity

DOE PAGES

Posada-Pérez, Sergio; Ramírez, Pedro J.; Gutiérrez, Ramón A.; ...

2016-02-01

Here, the conversion of CO 2 into methanol catalyzed by β-Mo 2C and Cu/β-Mo 2C surfaces has been investigated by means of a combined experimental and theoretical study. Experiments have shown the direct activation and dissociation of the CO 2 molecule on bare β-Mo 2C, whereas on Cu/β-Mo 2C, CO 2 must be assisted by hydrogen for its conversion. Methane and CO are the main products on the clean surface and methanol production is lower. However, the deposition of Cu clusters avoids methane formation and increases methanol production even above that corresponding to a model of the technical catalyst. DFTmore » calculations on surface models of both possible C- and Mo-terminations corroborate the experimental observations. Calculations for the clean Mo-terminated surface reveal the existence of two possible routes for methane production (C + 4H → CH 4; CH 3O + 3H → CH 4 + H 2O) which are competitive with methanol synthesis, displaying slightly lower energy barriers. On the other hand, a model for Cu deposited clusters on the Mo-terminated surface points towards a new route for methanol and CO production avoiding methane formation. The new route is a direct consequence of the generation of a Mo 2C–Cu interface. The present experimental and theoretical results entail the interesting catalytic properties of Mo 2C as an active support of metallic nanoparticles, and also illustrate how the deposition of a metal can drastically change the activity and selectivity of a carbide substrate for CO 2 hydrogenation.« less

Design and Analysis of an X-Ray Mirror Assembly Using the Meta-Shell Approach

NASA Technical Reports Server (NTRS)

McClelland, Ryan S.; Bonafede, Joseph; Saha, Timo T.; Solly, Peter M.; Zhang, William W.

2016-01-01

Lightweight and high resolution optics are needed for future space-based x-ray telescopes to achieve advances in high-energy astrophysics. Past missions such as Chandra and XMM-Newton have achieved excellent angular resolution using a full shell mirror approach. Other missions such as Suzaku and NuSTAR have achieved lightweight mirrors using a segmented approach. This paper describes a new approach, called meta-shells, which combines the fabrication advantages of segmented optics with the alignment advantages of full shell optics. Meta-shells are built by layering overlapping mirror segments onto a central structural shell. The resulting optic has the stiffness and rotational symmetry of a full shell, but with an order of magnitude greater collecting area. Several meta-shells so constructed can be integrated into a large x-ray mirror assembly by proven methods used for Chandra and XMM-Newton. The mirror segments are mounted to the meta-shell using a novel four point semi-kinematic mount. The four point mount deterministically locates the segment in its most performance sensitive degrees of freedom. Extensive analysis has been performed to demonstrate the feasibility of the four point mount and meta-shell approach. A mathematical model of a meta-shell constructed with mirror segments bonded at four points and subject to launch loads has been developed to determine the optimal design parameters, namely bond size, mirror segment span, and number of layers per meta-shell. The parameters of an example 1.3 m diameter mirror assembly are given including the predicted effective area. To verify the mathematical model and support opto-mechanical analysis, a detailed finite element model of a meta-shell was created. Finite element analysis predicts low gravity distortion and low sensitivity to thermal gradients.

Deformation of compound shells under action of internal shock wave loading

NASA Astrophysics Data System (ADS)

Chernobryvko, Marina; Kruszka, Leopold; Avramov, Konstantin

2015-09-01

The compound shells under the action of internal shock wave loading are considered. The compound shell consists of a thin cylindrical shell and two thin parabolic shells at the edges. The boundary conditions in the shells joints satisfy the equality of displacements. The internal shock wave loading is modelled as the surplus pressure surface. This pressure is a function of the shell coordinates and time. The strain rate deformation of compound shell takes place in both the elastic and in plastic stages. In the elastic stage the equations of the structure motions are obtained by the assumed-modes method, which uses the kinetic and potential energies of the cylindrical and two parabolic shells. The dynamic behaviour of compound shells is treated. In local plastic zones the 3-D thermo-elastic-plastic model is used. The deformations are described by nonlinear model. The stress tensor elements are determined using dynamic deformation theory. The deformation properties of materials are influenced by the strain rate behaviour, the influence of temperature parameters, and the elastic-plastic properties of materials. The dynamic yield point of materials and Pisarenko-Lebedev's criterion of destruction are used. The modified adaptive finite differences method of numerical analysis is suggested for those simulations. The accuracy of the numerical simulation is verified on each temporal step of calculation and in the case of large deformation gradients.

Fragmentation of protostars dust shells at the Hayashi stage

NASA Astrophysics Data System (ADS)

Abdulmyanov, T. R.

2017-09-01

The aim of this study is to determine the density variations of a protostars dust shells at the Hayashi stage. The simplified model of the density wave perturbations are obtained on the base hydrodynamic equations. According to this model, the fragmentation of dust shells may occur at the stage of slow compression of protostar. Using the solution of the wave equation, the 3-D profiles of the density of the dust shell are defined.

Effective Simulation of Delamination in Aeronautical Structures Using Shells and Cohesive Elements

NASA Technical Reports Server (NTRS)

Davila, Carlos G.; Camanho, Pedro P.; Turon, Albert

2007-01-01

A cohesive element for shell analysis is presented. The element can be used to simulate the initiation and growth of delaminations between stacked, non-coincident layers of shell elements. The procedure to construct the element accounts for the thickness offset by applying the kinematic relations of shell deformation to transform the stiffness and internal force of a zero-thickness cohesive element such that interfacial continuity between the layers is enforced. The procedure is demonstrated by simulating the response and failure of the Mixed Mode Bending test and a skin-stiffener debond specimen. In addition, it is shown that stacks of shell elements can be used to create effective models to predict the inplane and delamination failure modes of thick components. The results indicate that simple shell models can retain many of the necessary predictive attributes of much more complex 3D models while providing the computational efficiency that is necessary for design.

Cohesive Elements for Shells

NASA Technical Reports Server (NTRS)

Davila, Carlos G.; Camanho, Pedro P.; Turon, Albert

2007-01-01

A cohesive element for shell analysis is presented. The element can be used to simulate the initiation and growth of delaminations between stacked, non-coincident layers of shell elements. The procedure to construct the element accounts for the thickness offset by applying the kinematic relations of shell deformation to transform the stiffness and internal force of a zero-thickness cohesive element such that interfacial continuity between the layers is enforced. The procedure is demonstrated by simulating the response and failure of the Mixed Mode Bending test and a skin-stiffener debond specimen. In addition, it is shown that stacks of shell elements can be used to create effective models to predict the inplane and delamination failure modes of thick components. The results indicate that simple shell models can retain many of the necessary predictive attributes of much more complex 3D models while providing the computational efficiency that is necessary for design.

Finite Element Analysis of Geodesically Stiffened Cylindrical Composite Shells Using a Layerwise Theory

NASA Technical Reports Server (NTRS)

Gerhard, Craig Steven; Gurdal, Zafer; Kapania, Rakesh K.

1996-01-01

Layerwise finite element analyses of geodesically stiffened cylindrical shells are presented. The layerwise laminate theory of Reddy (LWTR) is developed and adapted to circular cylindrical shells. The Ritz variational method is used to develop an analytical approach for studying the buckling of simply supported geodesically stiffened shells with discrete stiffeners. This method utilizes a Lagrange multiplier technique to attach the stiffeners to the shell. The development of the layerwise shells couples a one-dimensional finite element through the thickness with a Navier solution that satisfies the boundary conditions. The buckling results from the Ritz discrete analytical method are compared with smeared buckling results and with NASA Testbed finite element results. The development of layerwise shell and beam finite elements is presented and these elements are used to perform the displacement field, stress, and first-ply failure analyses. The layerwise shell elements are used to model the shell skin and the layerwise beam elements are used to model the stiffeners. This arrangement allows the beam stiffeners to be assembled directly into the global stiffness matrix. A series of analytical studies are made to compare the response of geodesically stiffened shells as a function of loading, shell geometry, shell radii, shell laminate thickness, stiffener height, and geometric nonlinearity. Comparisons of the structural response of geodesically stiffened shells, axial and ring stiffened shells, and unstiffened shells are provided. In addition, interlaminar stress results near the stiffener intersection are presented. First-ply failure analyses for geodesically stiffened shells utilizing the Tsai-Wu failure criterion are presented for a few selected cases.

Evaluation of CNN as anthropomorphic model observer

NASA Astrophysics Data System (ADS)

Massanes, Francesc; Brankov, Jovan G.

2017-03-01

Model observers (MO) are widely used in medical imaging to act as surrogates of human observers in task-based image quality evaluation, frequently towards optimization of reconstruction algorithms. In this paper, we explore the use of convolutional neural networks (CNN) to be used as MO. We will compare CNN MO to alternative MO currently being proposed and used such as the relevance vector machine based MO and channelized Hotelling observer (CHO). As the success of the CNN, and other deep learning approaches, is rooted in large data sets availability, which is rarely the case in medical imaging systems task-performance evaluation, we will evaluate CNN performance on both large and small training data sets.

Energy Deposition and Condition of the Metal Core in Exploding Wire Experiments

NASA Astrophysics Data System (ADS)

Sarkisov, G. S.; Rosenthal, S. E.; Struve, K. W.; McDaniel, D. H.; Waisman, E. M.; Sasorov, P. V.

2002-11-01

Measurements of the Joule energy deposition into exploding wire and its relation with condition of the expanding wire core are presented. Wires of nine different metals with diameters of 10-30 microns, have been exploded by fast 150A/ns and slow 20A/ns pulses, in vacuum and in air. It has been shown by interferometry and light emission that expanding wire core has different conditions. The substances with small atomization enthalpy (Ag, Al, Cu, Au) demonstrate full vaporization of the wire core. The refractory metals (Ti, Pt, Mo, W) demonstrates that core consists from vapor and small and hot microparticles. In this case we observe "firework effect" when large radiation from the wire exceed the energy deposition time in a three order of magnitude. For non-refractory metals radiation dropping fast in 100 ns time scale due to effective adiabatic cooling. It is possible if main part of the metal core was vaporized. The interferometrical investigation of the refraction coefficient of expanding metal core is proof this conclusion. It has been shown that energy deposition before surface breakdown dependent strongly from current rate, surface coatings, environment, wire diameter and radial electric field. The regime of wire explosion in vacuum without shunting plasma shell has been realized for fast exploding mode. In this case we observe anomaly high energy deposition in to the wire core exceeding regular value in almost 20 times. The experimental results for Al wire have been compared with ALEGRA 2D MHD simulations. *Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL8500.

Shell models of magnetohydrodynamic turbulence

NASA Astrophysics Data System (ADS)

Plunian, Franck; Stepanov, Rodion; Frick, Peter

2013-02-01

Shell models of hydrodynamic turbulence originated in the seventies. Their main aim was to describe the statistics of homogeneous and isotropic turbulence in spectral space, using a simple set of ordinary differential equations. In the eighties, shell models of magnetohydrodynamic (MHD) turbulence emerged based on the same principles as their hydrodynamic counter-part but also incorporating interactions between magnetic and velocity fields. In recent years, significant improvements have been made such as the inclusion of non-local interactions and appropriate definitions for helicities. Though shell models cannot account for the spatial complexity of MHD turbulence, their dynamics are not over simplified and do reflect those of real MHD turbulence including intermittency or chaotic reversals of large-scale modes. Furthermore, these models use realistic values for dimensionless parameters (high kinetic and magnetic Reynolds numbers, low or high magnetic Prandtl number) allowing extended inertial range and accurate dissipation rate. Using modern computers it is difficult to attain an inertial range of three decades with direct numerical simulations, whereas eight are possible using shell models. In this review we set up a general mathematical framework allowing the description of any MHD shell model. The variety of the latter, with their advantages and weaknesses, is introduced. Finally we consider a number of applications, dealing with free-decaying MHD turbulence, dynamo action, Alfvén waves and the Hall effect.

Fabrication of a 3D Hierarchical Sandwich Co9 S8 /α-MnS@N-C@MoS2 Nanowire Architectures as Advanced Electrode Material for High Performance Hybrid Supercapacitors.

PubMed

Kandula, Syam; Shrestha, Khem Raj; Kim, Nam Hoon; Lee, Joong Hee

2018-06-01

Supercapacitors suffer from lack of energy density and impulse the energy density limit, so a new class of hybrid electrode materials with promising architectures is strongly desirable. Here, the rational design of a 3D hierarchical sandwich Co 9 S 8 /α-MnS@N-C@MoS 2 nanowire architecture is achieved during the hydrothermal sulphurization reaction by the conversion of binary mesoporous metal oxide core to corresponding individual metal sulphides core along with the formation of outer metal sulphide shell at the same time. Benefiting from the 3D hierarchical sandwich architecture, Co 9 S 8 /α-MnS@N-C@MoS 2 electrode exhibits enhanced electrochemical performance with high specific capacity/capacitance of 306 mA h g -1 /1938 F g -1 at 1 A g -1 , and excellent cycling stability with a specific capacity retention of 86.9% after 10 000 cycles at 10 A g -1 . Moreover, the fabricated asymmetric supercapacitor device using Co 9 S 8 /α-MnS@N-C@MoS 2 as the positive electrode and nitrogen doped graphene as the negative electrode demonstrates high energy density of 64.2 Wh kg -1 at 729.2 W kg -1 , and a promising energy density of 23.5 Wh kg -1 is still attained at a high power density of 11 300 W kg -1 . The hybrid electrode with 3D hierarchical sandwich architecture promotes enhanced energy density with excellent cyclic stability for energy storage. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Refined hierarchical kinematics quasi-3D Ritz models for free vibration analysis of doubly curved FGM shells and sandwich shells with FGM core

NASA Astrophysics Data System (ADS)

Fazzolari, Fiorenzo A.; Carrera, Erasmo

2014-02-01

In this paper, the Ritz minimum energy method, based on the use of the Principle of Virtual Displacements (PVD), is combined with refined Equivalent Single Layer (ESL) and Zig Zag (ZZ) shell models hierarchically generated by exploiting the use of Carrera's Unified Formulation (CUF), in order to engender the Hierarchical Trigonometric Ritz Formulation (HTRF). The HTRF is then employed to carry out the free vibration analysis of doubly curved shallow and deep functionally graded material (FGM) shells. The PVD is further used in conjunction with the Gauss theorem to derive the governing differential equations and related natural boundary conditions. Donnell-Mushtari's shallow shell-type equations are given as a particular case. Doubly curved FGM shells and doubly curved sandwich shells made up of isotropic face sheets and FGM core are investigated. The proposed shell models are widely assessed by comparison with the literature results. Two benchmarks are provided and the effects of significant parameters such as stacking sequence, boundary conditions, length-to-thickness ratio, radius-to-length ratio and volume fraction index on the circular frequency parameters and modal displacements are discussed.

Electrospun H4SiW12O40/cellulose acetate composite nanofibrous membrane for photocatalytic degradation of tetracycline and methyl orange with different mechanism.

PubMed

Li, Wei; Li, Tingting; Li, Guangtao; An, Libao; Li, Fan; Zhang, Zhiming

2017-07-15

H 4 SiW 12 O 40 (SiW 12 )/cellulose acetate (CA) composite nanofibrous membrane was prepared by electrospinning in which CA was employed as the support of SiW 12 . Characterization with Fourier transformation infrared spectroscopy (FT-IR), Energy-dispersive X-ray spectroscopy (EDS) and X-ray photoelectron spectroscopy (XPS) indicated that SiW 12 has been successfully loaded into the CA membrane and its Keggin structure remained intact. The as-prepared composite membrane exhibited enhanced photocatalytic activity in the decomposition of tetracycline (TC) and methyl orange (MO) compared with pure SiW 12 under ultraviolet irradiation. The optimal mass ratio of SiW 12 to CA was 1:4, and the corresponding degradation efficiency for TC and MO was 63.8% and 94.6%, respectively. It is noteworthy that the degradation rate of MO increased more evidently than that of TC under the same conditions, which may be attributed to the different role that CA nanofibrous membrane played in the TC and MO photodegradation process. Besides providing more contact area between SiW 12 and the pollutant in TC photodegradation, CA membrane played an additional role that donated electron to SiW 12 in the MO degradation process, leading to a different photocatalytic mechanism with greatly enhanced degradation rate. Moreover, the composite membrane presented an excellent reusability, which was mainly ascribed to the water-insolubility of CA and the hydrogen bonds between CA and SiW 12 . This work will be useful for the design of biopolymer-based membrane photocatalysts applied to antibiotics and dyes wastewater treatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

Use of Moringa oleifera seed extracts to reduce helminth egg numbers and turbidity in irrigation water.

PubMed

Sengupta, Mita E; Keraita, Bernard; Olsen, Annette; Boateng, Osei K; Thamsborg, Stig M; Pálsdóttir, Guðný R; Dalsgaard, Anders

2012-07-01

Water from wastewater-polluted streams and dug-outs is the most commonly used water source for irrigation in urban farming in Ghana, but helminth parasite eggs in the water represent health risks when used for crop production. Conventional water treatment is expensive, requires advanced technology and often breaks down in less developed countries so low cost interventions are needed. Field and laboratory based trials were carried out in order to investigate the effect of the natural coagulant Moringa oleifera (MO) seed extracts in reducing helminh eggs and turbidity in irrigation water, turbid water, wastewater and tap water. In medium to high turbid water MO extracts were effective in reducing the number of helminth eggs by 94-99.5% to 1-2 eggs per litre and the turbidity to 7-11 NTU which is an 85-96% reduction. MO is readily available in many tropical countries and can be used by farmers to treat high turbid water for irrigation, however, additional improvements of water quality, e.g. by sand filtration, is suggested to meet the guideline value of ≤ 1 helminth egg per litre and a turbidity of ≤ 2 NTU as recommended by the World Health Organization and the U.S. Environmental Protection Agency for water intended for irrigation. A positive correlation was established between reduction in turbidity and helminth eggs in irrigation water, turbid water and wastewater treated with MO. This indicates that helminth eggs attach to suspended particles and/or flocs facilitated by MO in the water, and that turbidity and helminth eggs are reduced with the settling flocs. However, more experiments with water samples containing naturally occurring helminth eggs are needed to establish whether turbidity can be used as a proxy for helminth eggs. Copyright © 2012 Elsevier Ltd. All rights reserved.

Reliable Collection of Real-Time Patient Physiologic Data from less Reliable Networks: a "Monitor of Monitors" System (MoMs).

PubMed

Hu, Peter F; Yang, Shiming; Li, Hsiao-Chi; Stansbury, Lynn G; Yang, Fan; Hagegeorge, George; Miller, Catriona; Rock, Peter; Stein, Deborah M; Mackenzie, Colin F

2017-01-01

Research and practice based on automated electronic patient monitoring and data collection systems is significantly limited by system down time. We asked whether a triple-redundant Monitor of Monitors System (MoMs) to collect and summarize key information from system-wide data sources could achieve high fault tolerance, early diagnosis of system failure, and improve data collection rates. In our Level I trauma center, patient vital signs(VS) monitors were networked to collect real time patient physiologic data streams from 94 bed units in our various resuscitation, operating, and critical care units. To minimize the impact of server collection failure, three BedMaster® VS servers were used in parallel to collect data from all bed units. To locate and diagnose system failures, we summarized critical information from high throughput datastreams in real-time in a dashboard viewer and compared the before and post MoMs phases to evaluate data collection performance as availability time, active collection rates, and gap duration, occurrence, and categories. Single-server collection rates in the 3-month period before MoMs deployment ranged from 27.8 % to 40.5 % with combined 79.1 % collection rate. Reasons for gaps included collection server failure, software instability, individual bed setting inconsistency, and monitor servicing. In the 6-month post MoMs deployment period, average collection rates were 99.9 %. A triple redundant patient data collection system with real-time diagnostic information summarization and representation improved the reliability of massive clinical data collection to nearly 100 % in a Level I trauma center. Such data collection framework may also increase the automation level of hospital-wise information aggregation for optimal allocation of health care resources.

Two-nucleon high-spin states, the Bansal-French model and the crude shell model

NASA Astrophysics Data System (ADS)

Chan, Tsan Ung

1987-08-01

Recent data on two-nucleon stretched high-spin states agree well with the crude shell model predictions. For two-neutron high-spin states, the A and T linear dependence of B2n in the Bansal-French model can be deduced from the A and T linear dependence of Bn and the crude shell model. 7-2 states in some Zn and Ge even nuclei might be two-proton states. This hypothesis should be confirmed by two-proton transfer reaction.

Negative thermal expansion correlated with polyhedral movements and distortions in orthorhombic Y{sub 2}Mo{sub 3}O{sub 12}

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

Wang, Lei; Wang, Fei; Yuan, Peng-Fei

Graphical abstract: Our work confirms the negative thermal expansion (NTE) behavior of the orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} in this range 0–1000 K. The orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} has an open framework structure where MoO{sub 4} tetrahedra and YO{sub 6} octahedra are connected by oxygen atoms. The previous mechanisms for the NTE behavior of orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} are that the translational mode (see (b)) of the O bridge atoms in Y-O-Mo linkages will cause the linkages to be bent, reducing the space between polyhedra and making the volumetric shrinkage. Furthermore, the internal polyhedral distortions have been reportedmore » experimentally. It is necessary to reveal the relationship between NTE and polyhedral movements, distortions. From the vibrational properties, we get that the different vibrational eigenvectors of oxygen atoms relative to Y or Mo atoms can lead internal polyhedra to distort unevenly (see (c)). Herein, an extended 3D model of the connected unit YO{sub 6}-MoO{sub 4} based on the Y-O-Mo linkage is proposed (see (a)). It presents a simultaneous dynamic process, i.e. the YO{sub 6} octahedra and MoO{sub 4} tetrahedra distort unevenly, along with both polyhedra being closer which makes the volumetric contraction. This model is helpful to improve the mechanisms of NTE and may be applied in the whole A{sub 2}M{sub 3}O{sub 12} family. - Highlights: • The NTE properties of Y{sub 2}Mo{sub 3}O{sub 12} are confirmed using a first-principles calculation. • The optical branch with the lowest frequency is most responsible for the NTE. • The relationship between NTE and polyhedral movements, distortions is elucidated. • An extended 3D model of the connected unit YO{sub 6}-MoO{sub 4} is proposed. - Abstract: The internal polyhedral distortions have been reported experimentally in orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} as a negative thermal expansion (NTE) material. To reveal the relationship between NTE and polyhedral movements, distortions, the vibrational properties of Y{sub 2}Mo{sub 3}O{sub 12} have been studied using first-principles calculations. The lowest optical branch corresponding to translational mode of the O bridge atom in Y-O-Mo linkage has the largest negative Grüneisen parameter and therefore contributes most to the NTE behavior. The different vibrational eigenvectors of oxygen atoms relative to Y or Mo atoms can cause internal polyhedral to distort unevenly. Herein, an extended 3D model of the connected unit YO{sub 6}-MoO{sub 4} based on the Y-O-Mo linkage presents a simultaneous dynamic process, i.e. the YO{sub 6} octahedra and MoO{sub 4} tetrahedra distort unevenly, along with both polyhedra being closer which makes the volumetric contraction. This model is helpful to improve the mechanisms of NTE and may be applied in the whole A{sub 2}M{sub 3}O{sub 12} family.« less

Experimental study and modeling of atomic-scale friction in zigzag and armchair lattice orientations of MoS2

PubMed Central

Li, Meng; Shi, Jialin; Liu, Lianqing; Yu, Peng; Xi, Ning; Wang, Yuechao

2016-01-01

Abstract Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS2) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately, there is no comprehensive model that can describe the probe motion mechanism. In this paper, we report a tribological study of MoS2 in zigzag and armchair orientations. We observed a characteristic power spectrum and friction force values. To explain our results, we developed a modified, two-dimensional, stick-slip Tomlinson model that allows simulation of the probe motion on MoS2 surfaces by combining the motion in the Mo layer and S layer. Our model fits well with the experimental data and provides a theoretical basis for tribological studies of two-dimensional materials. PMID:27877869

Test of the statistical model in {sup 96}Mo with the BaF{sub 2}{gamma} calorimeter DANCE array

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

Sheets, S. A.; Mitchell, G. E.; Agvaanluvsan, U.

2009-02-15

The {gamma}-ray cascades following the {sup 95}Mo(n,{gamma}){sup 96}Mo reaction were studied with the {gamma} calorimeter DANCE (Detector for Advanced Neutron Capture Experiments) consisting of 160 BaF{sub 2} scintillation detectors at the Los Alamos Neutron Science Center. The {gamma}-ray energy spectra for different multiplicities were measured for s- and p-wave resonances below 2 keV. The shapes of these spectra were found to be in very good agreement with simulations using the DICEBOX statistical model code. The relevant model parameters used for the level density and photon strength functions were identical with those that provided the best fit of the data frommore » a recent measurement of the thermal {sup 95}Mo(n,{gamma}){sup 96}Mo reaction with the two-step-cascade method. The reported results strongly suggest that the extreme statistical model works very well in the mass region near A=100.« less

A theoretical study on reaction mechanisms and kinetics of thiophene hydrodesulfurization over MoS 2 catalysts

DOE PAGES

Jin, Qiu; Chen, Biaohua; Ren, Zhibo; ...

2018-02-10

In the present study, thiophene hydrodesulphurization (HDS) over the Mo-edge, the S-edge, and the Mo-S connection edge of MoS 2 catalyst with 50% sulfur coverage was studied using first-principles based microkinetic modeling. Two parallel HDS routes, i.e., direct desulfurization (DDS) and hydrogenation (HYD) were taken into account. It has been found that the major reaction route of thiophene HDS on the Mo- and the Mo-S edges is temperature dependent. In the low temperature range of 500–600 K, the HYD route is dominant, leading to the C 4H 8 formation. As the temperature increases, the DDS route becomes competitive with themore » HYD route. At the temperature above 650 K, the DDS route will be the dominant HDS reaction route on the Mo- and the Mo-S edges. The DDS route leading to the formation of C 4H 6 is the major thiophene HDS reaction route on the S-edge in the entire temperature range of 500–750 K. The microkinetic modeling results show the overall HDS activity on the S-edge is lower than it on the Mo- and the Mo-S edges. The Mo-S edge also provides a preferential reaction pathway, which facilitates 2-hydrothiophene migration from the Mo-edge to the S-edge, followed by remaining elementary steps with lower activation barriers in the DDS route.« less

A theoretical study on reaction mechanisms and kinetics of thiophene hydrodesulfurization over MoS 2 catalysts

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

Jin, Qiu; Chen, Biaohua; Ren, Zhibo

In the present study, thiophene hydrodesulphurization (HDS) over the Mo-edge, the S-edge, and the Mo-S connection edge of MoS 2 catalyst with 50% sulfur coverage was studied using first-principles based microkinetic modeling. Two parallel HDS routes, i.e., direct desulfurization (DDS) and hydrogenation (HYD) were taken into account. It has been found that the major reaction route of thiophene HDS on the Mo- and the Mo-S edges is temperature dependent. In the low temperature range of 500–600 K, the HYD route is dominant, leading to the C 4H 8 formation. As the temperature increases, the DDS route becomes competitive with themore » HYD route. At the temperature above 650 K, the DDS route will be the dominant HDS reaction route on the Mo- and the Mo-S edges. The DDS route leading to the formation of C 4H 6 is the major thiophene HDS reaction route on the S-edge in the entire temperature range of 500–750 K. The microkinetic modeling results show the overall HDS activity on the S-edge is lower than it on the Mo- and the Mo-S edges. The Mo-S edge also provides a preferential reaction pathway, which facilitates 2-hydrothiophene migration from the Mo-edge to the S-edge, followed by remaining elementary steps with lower activation barriers in the DDS route.« less

Further Results in Bend-Buckling Analysis of Ring Stiffened Cylindrical Shells.

DTIC Science & Technology

1986-08-01

Submerged Shell Targets, NSWC TR 84-380, Dec 1984. 2. Moussouros, M., "Finite Element Modeling Techniques for Buckling Analysis of Cylindrical Shells...KCR, MBR , M0 , F0 , and I, R is the mean radius as given by R0 ) R0 - Mean radius of circular cylindrical shell (perfect shell or radius of

Maximum wind radius estimated by the 50 kt radius: improvement of storm surge forecasting over the western North Pacific

NASA Astrophysics Data System (ADS)

Takagi, Hiroshi; Wu, Wenjie

2016-03-01

Even though the maximum wind radius (Rmax) is an important parameter in determining the intensity and size of tropical cyclones, it has been overlooked in previous storm surge studies. This study reviews the existing estimation methods for Rmax based on central pressure or maximum wind speed. These over- or underestimate Rmax because of substantial variations in the data, although an average radius can be estimated with moderate accuracy. As an alternative, we propose an Rmax estimation method based on the radius of the 50 kt wind (R50). Data obtained by a meteorological station network in the Japanese archipelago during the passage of strong typhoons, together with the JMA typhoon best track data for 1990-2013, enabled us to derive the following simple equation, Rmax = 0.23 R50. Application to a recent strong typhoon, the 2015 Typhoon Goni, confirms that the equation provides a good estimation of Rmax, particularly when the central pressure became considerably low. Although this new method substantially improves the estimation of Rmax compared to the existing models, estimation errors are unavoidable because of fundamental uncertainties regarding the typhoon's structure or insufficient number of available typhoon data. In fact, a numerical simulation for the 2013 Typhoon Haiyan as well as 2015 Typhoon Goni demonstrates a substantial difference in the storm surge height for different Rmax. Therefore, the variability of Rmax should be taken into account in storm surge simulations (e.g., Rmax = 0.15 R50-0.35 R50), independently of the model used, to minimize the risk of over- or underestimating storm surges. The proposed method is expected to increase the predictability of major storm surges and to contribute to disaster risk management, particularly in the western North Pacific, including countries such as Japan, China, Taiwan, the Philippines, and Vietnam.

Spectrum lines of highly ionized zinc, germanium, selenium, zirconium, molybdenum, and silver injected into Princeton Large Torus and Tokamak Fusion Test Reactor tokamak discharges

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

Hinnov, E.; Boody, F.; Cohen, S.

1986-10-01

Measured wavelengths of a number of highly ionized atoms are reported. These include the 3s/sup 2/3p--3s3p/sup 2/ and 3s/sup 2/3p--3s/sup 2/3d transitions in the aluminum isoelectronic sequence of Zn XVIII, Ge XX, Se XXII, Zr XXVIII, Mo XXX, and Ag XXXV; several transitions in the n = 2 shell of Zn XXII, Zn XXIII, and Zn XXIV; and the resonance and intercombination lines of Ag XXXVI--Ag XXXVII and of Ge XXIX--Ge XXX.

X-rays from Eta Carinae

NASA Technical Reports Server (NTRS)

Chlebowski, T.; Seward, F. D.; Swank, J.; Szymkowiak, A.

1984-01-01

X-ray observations of Eta Car obtained with the high-resolution imager and solid-state spectrometer of the Einstein observatory are reported and interpreted in terms of a two-shell model. A soft component with temperature 5 million K is located in the expanding outer shell, and the hard core component with temperature 80 million K is attributed to the interaction of a high-velocity stellar wind from the massive central object with the inner edge of a dust shell. Model calculations based on comparison with optical and IR data permit estimation of the mass of the outer shell (0.004 solar mass), the mass of the dust shell (3 solar mass), and the total shell expansion energy (less than 2 x 10 to the 49th ergs).

Deoxygenation of glycolaldehyde and furfural on Mo2C/Mo(100)

NASA Astrophysics Data System (ADS)

McManus, Jesse R.; Vohs, John M.

2014-12-01

The desire to produce fuels and chemicals in an energy conscious, environmentally sympathetic approach has motivated considerable research on the use of cellulosic biomass feedstocks. One of the major challenges facing the utilization of biomass is finding effective catalysts for the efficient and selective removal of oxygen from the highly-oxygenated, biomass-derived platform molecules. Herein, a study of the reaction pathways for the biomass-derived platform molecule furfural and biomass-derived sugar model compound glycolaldehyde provides insight into the mechanisms of hydrodeoxygenation (HDO) on a model molybdenum carbide catalyst, Mo2C/Mo(100). Using temperature programmed desorption (TPD) and high resolution electron energy loss spectroscopy (HREELS), it was found that the Mo2C/Mo(100) catalyst was active for selective deoxygenation of the aldehyde carbonyl by facilitating adsorption of the aldehyde in an η2(C,O) bonding configuration. Furthermore, the catalyst showed no appreciable activity for furanic ring hydrogenation, highlighting the promise of relatively inexpensive Mo2C catalysts for selective HDO chemistry.

Utilization of cross-linked chitosan/bentonite composite in the removal of methyl orange from aqueous solution.

PubMed

Huang, Ruihua; Liu, Qian; Zhang, Lujie; Yang, Bingchao

2015-01-01

A kind of biocomposite was prepared by the intercalation of chitosan in bentonite and the cross-linking reaction of chitosan with glutaraldehyde, which was referred to as cross-linked chitosan/bentonite (CCS/BT) composite. Adsorptive removal of methyl orange (MO) from aqueous solutions was investigated by batch method. The adsorption of MO onto CCS/BT composite was affected by the ratio of chitosan to BT and contact time. pH value had only a minor impact on MO adsorption in a wide pH range. Adsorption kinetics was mainly controlled by the pseudo-second-order kinetic model. The adsorption of MO onto CCS/BT composite followed the Langmuir isotherm model, and the maximum adsorption capacity of CCS/BT composite calculated by the Langmuir model was 224.8 mg/g. Experimental results indicated that this adsorbent had a potential for the removal of MO from aqueous solutions.

A theoretical modeling of photocurrent generation and decay in layered MoS2 thin-film transistor photosensors

NASA Astrophysics Data System (ADS)

Hur, Ji-Hyun; Park, Junghak; Jeon, Sanghun

2017-02-01

A model that universally describes the characteristics of photocurrent in molybdenum disulphide (MoS2) thin-film transistor (TFT) photosensors in both ‘light on’ and ‘light off’ conditions is presented for the first time. We considered possible material-property dependent carrier generation and recombination mechanisms in layered MoS2 channels with different numbers of layers. We propose that the recombination rates that are mainly composed of direct band-to-band recombination and interface trap-involved recombination change on changing the light condition and the number of layers. By comparing the experimental results, it is shown that the model performs well in describing the photocurrent behaviors of MoS2 TFT photosensors, including the photocurrent generation under illumination and a hugely long time persistent trend of the photocurrent decay in the dark condition, for a range of MoS2 layer numbers.

Influence of an asymmetric ring on the modeling of an orthogonally stiffened cylindrical shell

NASA Technical Reports Server (NTRS)

Rastogi, Naveen; Johnson, Eric R.

1994-01-01

Structural models are examined for the influence of a ring with an asymmetrical cross section on the linear elastic response of an orthogonally stiffened cylindrical shell subjected to internal pressure. The first structural model employs classical theory for the shell and stiffeners. The second model employs transverse shear deformation theories for the shell and stringer and classical theory for the ring. Closed-end pressure vessel effects are included. Interacting line load intensities are computed in the stiffener-to-skin joints for an example problem having the dimensions of the fuselage of a large transport aircraft. Classical structural theory is found to exaggerate the asymmetric response compared to the transverse shear deformation theory.

Experience in Reconstructing the PT-60-90 Turbine by Reconditioning Heat Treatment of the High-Pressure Cylinder Shell

NASA Astrophysics Data System (ADS)

Ermolaev, V. V.; Zhuchenko, L. A.; Lyubimov, A. A.; Gladshtein, V. I.; Kremer, V. L.

2018-06-01

Experience in reconstructing the PT-60-90 turbine at Salavatskaya CHPP upon the operation for more than 350000 h is described. In the course of reconstruction, the life of the turbine was restored, its economic efficiency was increased, process extraction of 1.27-1.57 MPa was changed to uncontrolled extraction, and additional extraction of 3.43 MPa was arranged. The high-pressure cylinder (HPC) shell was restored by reconditioning heat treatment (RHT), and the rotor was replaced by a new modernized one. To select the optimal conditions of the reconditioning heat treatment of the HPC shell (of the PT-60-90 turbine) manufactured from 20CrMoPL grade steel, the results of previously conducted tests of the shell metal of the same grade were integrated. The heat treatment was carried out on modernized furnace equipment using means of and methods for controlling the temperature and heating and cooling rates. Detailed nondestructive inspection of the upper and lower HPC halves was performed. The locations, distribution, sizes, and types of the defects were identified. The detected defects and austenitic build-ups were removed, welded with pearlite electrodes, examined, and subjected to heat treatment (tempering). The actual heat treatment conditions were analyzed and, based on the obtained data on the mechanical properties of the metal, the tempering temperature and time were specified. Complete investigation of the metal of both HPC halves was conducted prior to the reconditioning heat treatment. The reliability of the metal of the cylinder shell after RHT was evaluated by the mechanical properties, such as tensile strength, critical ductile-to-brittle transition temperature (crack resistance), and stress-rupture strength. It was established that, after RHT, the characteristics of the metal, such as yield strength, ultimate strength, elongation per unit length, contraction ratio, hardness, and impact toughness, significantly improved and, on the whole, the quality of the metal met the requirements of the normative documentation for newly manufactured castings. The heat resistance of the metal of the cylinder shell after RHT also increased, which can ensure the operation of the HPC shell for more than 200 000 h provided that the recommendations for regular inspections of its condition are followed.

Effect of Sn Content in a CuSnZn Metal Precursor on Formation of MoSe2 Film during Selenization in Se+SnSe Vapor

PubMed Central

Yao, Liyong; Ao, Jianping; Jeng, Ming-Jer; Bi, Jinlian; Gao, Shoushuai; Sun, Guozhong; He, Qing; Zhou, Zhiqiang; Sun, Yun; Chang, Liann-Be

2016-01-01

The preparation of Cu2ZnSnSe4 (CZTSe) thin films by the selenization of an electrodeposited copper–tin–zinc (CuSnZn) precursor with various Sn contents in low-pressure Se+SnSex vapor was studied. Scanning electron microscope (SEM) and energy dispersive spectroscopy (EDS) measurements revealed that the Sn content of the precursor that is used in selenization in a low-pressure Se+SnSex vapor atmosphere only slightly affects the elemental composition of the formed CZTSe films. However, the Sn content of the precursor significantly affects the grain size and surface morphology of CZTSe films. A metal precursor with a very Sn-poor composition produces CZTSe films with large grains and a rough surface, while a metal precursor with a very Sn-rich composition procures CZTSe films with small grains and a compact surface. X-ray diffraction (XRD) and SEM revealed that the metal precursor with a Sn-rich composition can grow a thicker MoSe2 thin film at CZTSe/Mo interface than one with a Sn-poor composition, possibly because excess Sn in the precursor may catalyze the formation of MoSe2 thin film. A CZTSe solar cell with an efficiency of 7.94%was realized by using an electrodeposited metal precursor with a Sn/Cu ratio of 0.5 in selenization in a low-pressure Se+SnSex vapor. PMID:28773366

Auditory- and Visual-Evoked Potentials in Mexican Infants Are Not Affected by Maternal Supplementation with 400 mg/d Docosahexaenoic Acid in the Second Half of Pregnancy1234

PubMed Central

Stein, Aryeh D.; Wang, Meng; Rivera, Juan A.; Martorell, Reynaldo; Ramakrishnan, Usha

2012-01-01

The evidence relating prenatal supplementation with DHA to offspring neurological development is limited. We investigated the effect of prenatal DHA supplementation on infant brainstem auditory-evoked responses and visual- evoked potentials in a double-blind, randomized controlled trial in Cuernavaca, Mexico. Pregnant women were supplemented daily with 400 mg DHA or placebo from gestation wk 18–22 through delivery. DHA and placebo groups did not differ in maternal characteristics at randomization or infant characteristics at birth. Brainstem auditory-evoked responses were measured at 1 and 3 mo in 749 and 664 infants, respectively, and visual-evoked potentials were measured at 3 and 6 mo in 679 and 817 infants, respectively. Left-right brainstem auditory-evoked potentials were moderately correlated (range, 0.26–0.43; all P < 0.001) and left-right visual-evoked potentials were strongly correlated (range, 0.79–0.94; all P < 0.001) within any assessment. Correlations across visits were modest to moderate (range, 0.09–0.38; all P < 0.01). The offspring of DHA-supplemented women did not differ from those of control women with respect to any outcome measure (all comparisons P > 0.10). We conclude that DHA supplementation during pregnancy did not influence brainstem auditory-evoked responses at 1 and 3 mo or visual-evoked potentials at 3 and 6 mo. PMID:22739364

Meta-shell Approach for Constructing Lightweight and High Resolution X-Ray Optics

NASA Technical Reports Server (NTRS)

McClelland, Ryan S.

2016-01-01

Lightweight and high resolution optics are needed for future space-based x-ray telescopes to achieve advances in high-energy astrophysics. Past missions such as Chandra and XMM-Newton have achieved excellent angular resolution using a full shell mirror approach. Other missions such as Suzaku and NuSTAR have achieved lightweight mirrors using a segmented approach. This paper describes a new approach, called meta-shells, which combines the fabrication advantages of segmented optics with the alignment advantages of full shell optics. Meta-shells are built by layering overlapping mirror segments onto a central structural shell. The resulting optic has the stiffness and rotational symmetry of a full shell, but with an order of magnitude greater collecting area. Several meta-shells so constructed can be integrated into a large x-ray mirror assembly by proven methods used for Chandra and XMM-Newton. The mirror segments are mounted to the meta-shell using a novel four point semi-kinematic mount. The four point mount deterministically locates the segment in its most performance sensitive degrees of freedom. Extensive analysis has been performed to demonstrate the feasibility of the four point mount and meta-shell approach. A mathematical model of a meta-shell constructed with mirror segments bonded at four points and subject to launch loads has been developed to determine the optimal design parameters, namely bond size, mirror segment span, and number of layers per meta-shell. The parameters of an example 1.3 m diameter mirror assembly are given including the predicted effective area. To verify the mathematical model and support opto-mechanical analysis, a detailed finite element model of a meta-shell was created. Finite element analysis predicts low gravity distortion and low thermal distortion. Recent results are discussed including Structural Thermal Optical Performance (STOP) analysis as well as vibration and shock testing of prototype meta-shells.

The study of hard x-ray emission and electron beam generation in wire array Z-pinch and X-pinch plasmas at university-scale generators

NASA Astrophysics Data System (ADS)

Shrestha, Ishor Kumar

The studies of hard x-ray (HXR) emission and electron beam generation in Z-pinch plasmas are very important for Inertial Confinement Fusion (ICF) research and HXR emission application for sources of K-shell and L-shell radiation. Energetic electron beams from Z-pinch plasmas are potentially a problem in the development of ICF. The electron beams and the accompanying HXR emission can preheat the fuel of a thermonuclear target, thereby preventing the fuel compression from reaching densities required for the ignition of a fusion reaction. The photons above 3-4 keV radiated from a Z pinch can provide detailed information about the high energy density plasmas produced at stagnation. Hence, the investigation of characteristics of hard x-rays and electron beams produced during implosions of wire array loads on university scale-generators may provide important data for future ICF, sources of K-shell and L-shell radiations and basic plasma research. This dissertation presents the results of experimental studies of HXR and electron beam generation in wire-array and X-pinch on the 1.7 MA, 100-ns current rise time Zebra generator at University of Nevada, Reno and 1-MA 100-ns current rise-time Cornell Beam Research Accelerator (COBRA) at Cornell University. The experimental study of characteristics of HXR produced by multi-planar wire arrays, compact cylindrical wire array (CCWA) and nested cylindrical wire array (NCWA) made from Al, Cu, Mo, Ag, W and Au were analyzed. The dependence of the HXR yield and power on geometry of the load, the wire material, and load mass was observed. The presence of aluminum wires in the load with the main material such as stainless steel, Cu, Mo, Ag, W or Au in combined wire array decreases HXR yield. The comparison of emission characteristics of HXR and generation of electron beams in CCWA and NCWA on both the high impedance Zebra generator and low impedance COBRA generator were investigated. Some of the "cold" K- shell spectral lines (0.7-2.3Á) and cold L-shell spectral lines (1-1.54Á) in the HXR region were observed only during the interaction of electron beam with load material and anode surface. These observations suggest that the mechanism of HXR emission should be associated with non-thermal mechanisms such as the interaction of the electron beam with the load material. In order to estimate the characteristics of the high-energetic electron beam in Z-pinch plasmas, a hard x-ray polarimeter (HXP) has been developed and used in experiments on the Zebra generator. The electron beams (energy more than 30keV) have been investigated with measurements of the polarization state of the emitted bremsstrahlung radiation from plasma. We also analyzed characteristics of energetic electron beams produced by implosions of multi-planar wire arrays, compact cylindrical and nested wire arrays as well as X-pinches. Direct indications of electron beams (electron cutoff energy EB from 42-250 keV) were obtained by using the measured current of a Faraday cup placed above the anode or mechanical damage observed in the anode surface. A comparison of total electron beam energy and the spatial and spectral analysis of the parameters of plasmas were investigated for different wire materials. The dependences of the total electron beam energy (E b) on the wire material and the geometry of the wire array load were studied.

Cross-shell excitations in Si 31

DOE PAGES

Tai, P. -L.; Tabor, S. L.; Lubna, R. S.; ...

2017-07-28

The Si-31 nucleus was produced through the O-18(18O, an) fusion-evaporation reaction at E-lab = 24 MeV. Evaporated a particles from the reaction were detected and identified in the Microball detector array for channel selection. Multiple gamma-ray coincidence events were detected in Gammasphere. The energy and angle information for the alpha particles was used to determine the Si-31 recoil kinematics on an event-by-event basis for a more accurate Doppler correction. A total of 22 new states and 52 new gamma transitions were observed, including 14 from states above the neutron separation energy. The positive-parity states predicted by the shell-model calculations inmore » the sd model space agree well with experiment. The negative-parity states were compared with shell-model calculations in the psdpf model space with some variations in the N = 20 shell gap. The best agreement was found with a shell gap intermediate between that originally used for A approximate to 20 nuclei and that previously adapted for P-32,P-34. This variation suggests the need for a more universal cross-shell interaction.« less

Old and New Magic Numbers

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

Talmi, Igal

2008-11-11

The discovery of magic numbers led to the shell model. They indicated closure of major shells and are robust: proton magic numbers are rather independent of the occupation of neutron orbits and vice versa. Recently the magic property became less stringent and we hear a lot about the discovery of new magic numbers. These, however, indicate sub-shell closures and strongly depend on occupation numbers and hence, may be called quasi-magic numbers. Some of these have been known for many years and the mechanism for their appearance as well as disappearance, was well understood within the simple shell model. The situationmore » will be illustrated by a few examples which demonstrate the simple features of the shell model. Will this simplicity emerge from the complex computations of nuclear many-body theory?.« less

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

Nick Cannell; Adrian S. Sabau

The investment casting process allows the production of complex-shape parts and close dimensional tolerances. One of the most important phases in the investment casting process is the design of the pattern die. Pattern dies are used to create wax patterns by injecting wax into dies. The first part of the project involved preparation of reports on the state of the art at that time for all the areas under consideration (die-wax, wax-shell, and shell-alloy). The primary R&D focus during Phase I was on the wax material since the least was known about it. The main R&D accomplishments during this phasemore » were determination of procedures for obtaining the thermal conductivity and viscoelastic properties of an unfilled wax and validating those procedures. Phase II focused on die-wax and shell-alloy systems. A wax material model was developed based on results obtained during the previous R&D phase, and a die-wax model was successfully incorporated into and used in commercial computer programs. Current computer simulation programs have complementary features. A viscoelastic module was available in ABAQUS but unavailable in ProCAST, while the mold-filling module was available in ProCAST but unavailable in ABAQUS. Thus, the numerical simulation results were only in good qualitative agreement with experimental results, the predicted shrinkage factors being approximately 2.5 times larger than those measured. Significant progress was made, and results showed that the testing and modeling of wax material had great potential for industrial applications. Additional R&D focus was placed on one shell-alloy system. The fused-silica shell mold and A356 aluminum alloy were considered. The experimental part of the program was conducted at ORNL and commercial foundries, where wax patterns were injected, molds were invested, and alloys were poured. It was very important to obtain accurate temperature data from actual castings, and significant effort was made to obtain temperature profiles in the shell mold. A model for thermal radiation within the shell mold was developed, and the thermal model was successfully validated using ProCAST. Since the fused silica shells had the lowest thermal expansion properties in the industry, the dewaxing phase, including the coupling between wax-shell systems, was neglected. The prefiring of the empty shell mold was considered in the model, and the shell mold was limited to a pure elastic material. The alloy dimensions were obtained from numerical simulations only with coupled shell-alloy systems. The alloy dimensions were in excellent quantitative agreement with experimental data, validating the deformation module. For actual parts, however, the creep properties of the shell molds must also be obtained, modeled, and validated.« less

Metal concentrations in the mussel Bathymodiolus platifrons from a cold seep in the South China Sea

NASA Astrophysics Data System (ADS)

Wang, Xiaocheng; Li, Chaolun; Zhou, Li

2017-11-01

Data regarding the concentration and distribution of various metals in different tissues of mussels from the cold seep is scant. We aimed to quantify the presence of twenty elements (Ca, K, Mg, Sr, Ag, Al, As, Ba, Cd, Co, Cr, Cu, Li, Fe, Mn, Mo, Ni, Pb, V, and Zn) in gills, mantles and shells of Bathymodiolus platifrons, a common mussel species in deep-sea cold seep and hydrothermal vent communities. Specimens of B. platifrons were sampled from a cold seep at the northern continental slope of the South China Sea and the elemental contents in its tissues were quantified. Our findings were compared to data from taxonomically similar species at hydrothermal vents and coastal waters. We found that most elements were significantly enriched in the gills, which could be related to food uptake and the existence of endosymbionts. In shells and mantles, Mn was particularly rich, possibly due to its replacement of Ca in the carbonate structure. A significant positive correlation among Ca, Sr, and Mg was found in both gills and mantles, consistent with relationships observed in vent and littoral mussel species. Concentrations of metals were highest in the new-growth outer edges of shells in comparison to older shell material, which suggests that trace metals have become more abundant in the ambient seawater in recent years. Compared with other deep-sea environments and coastal areas, metal accumulation showed local variability but similar overall patterns of uptake and accumulation, indicating that essential elemental requirements in different mussel species may be similar across taxa. The high bioconcentration factor (BCF) values of Mn and Ag suggest that their particular functions and regulation mechanisms are related to specific adaptations and life cycle processes.

Speciation of Energy Critical Elements in Marine Ferromanganese Crusts and Nodules by Principal Component Analysis and Least-squares fits to XAFS Spectra

NASA Astrophysics Data System (ADS)

Foster, A. L.; Klofas, J. M.; Hein, J. R.; Koschinsky, A.; Bargar, J.; Dunham, R. E.; Conrad, T. A.

2011-12-01

Marine ferromanganese crusts and nodules ("Fe-Mn crusts") are considered a potential mineral resource due to their accumulation of several economically-important elements at concentrations above mean crustal abundances. They are typically composed of intergrown Fe oxyhydroxide and Mn oxide; thicker (older) crusts can also contain carbonate fluorapatite. We used X-ray absorption fine-structure (XAFS) spectroscopy, a molecular-scale structure probe, to determine the speciation of several elements (Te, Bi, Mo, Zr, Pt) in Fe-Mn crusts. As a first step in analysis of this dataset, we have conducted principal component analysis (PCA) of Te K-edge and Mo K-edge, k3-weighted XAFS spectra. The sample set consisted of 12 homogenized, ground Fe-Mn crust samples from 8 locations in the global ocean. One sample was subjected to a chemical leach to selectively remove Mn oxides and the elements associated with it. The samples in the study set contain 50-205 mg/kg Te (average = 88) and 97-802 mg/kg Mo (average = 567). PCAs of background-subtracted, normalized Te K-edge and Mo K-edge XAFS spectra were performed on a data matrix of 12 rows x 122 columns (rows = samples; columns = Te or Mo fluorescence value at each energy step) and results were visualized without rotation. The number of significant components was assessed by the Malinowski indicator function and ability of the components to reconstruct the features (minus noise) of all sample spectra. Two components were significant by these criteria for both Te and Mo PCAs and described a total of 74 and 75% of the total variance, respectively. Reconstruction of potential model compounds by the principal components derived from PCAs on the sample set ("target transformation") provides a means of ranking models in terms of their utility for subsequent linear-combination, least-squares (LCLS) fits (the next step of data analysis). Synthetic end-member models of Te4+, Te6+, and Mo adsorbed to Fe(III) oxyhydroxide and Mn oxide were tested. Te6+ sorbed to Fe oxyhydroxide and Mo sorbed to Fe oxyhydroxide were identified as the best models for Te and Mo PCAs, respectively. However, in the case of Mo, least-squares fits contradicted these results, indicating that about 80% of Mo in crust samples was associated with Mn oxides. Ultimately it was discovered that the sample from which Mn oxide had been leached was skewing the results in the Mo PCA but not in the Te PCA. When the leached sample was removed and the Mo PCA repeated (n = 11), target transformation indicated that Mo sorbed to Mn oxide was indeed the best model for the set. Our results indicate that Te and Mo are strongly partitioned into different phases in these Fe-Mn crusts, and emphasize the importance of evaluating outliers and their effects on PCA.

Applying a Qualitative Modeling Shell to Process Diagnosis: The Caster System.

DTIC Science & Technology

1986-03-01

Process Diagnosis: The Caster System by Timothy F. Thompson and William J. Clancey Department of Computer Science Stanford University Stanford, CA 94303...MODELING SHELL TO PROCESS DIAGNOSIS: THE CASTER SYSTEM 12 PERSONAL AUTHOR(S) TIMOTHY F. THOMPSON. WESTINGHOUSE R&D CENTER, WILLIAM CLANCEY, STANFORD...editions are obsolete. Applying a Qualitative Modeling Shell to Process Diagnosis: The Caster System by Timothy F. Thompson, Westinghouse R&D Center

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

Gronke, M.; Dijkstra, M., E-mail: maxbg@astro.uio.no

We perform Lyman- α (Ly α ) Monte-Carlo radiative transfer calculations on a suite of 2500 models of multiphase, outflowing media, which are characterized by 14 parameters. We focus on the Ly α spectra emerging from these media and investigate which properties are dominant in shaping the emerging Ly α profile. Multiphase models give rise to a wide variety of emerging spectra, including single-, double-, and triple-peaked spectra. We find that the dominant parameters in shaping the spectra include (i) the cloud covering factor, f {sub c} , which is in agreement with earlier studies, and (ii) the temperature andmore » number density of residual H i in the hot ionized medium. We attempt to reproduce spectra emerging from multiphase models with “shell models” which are commonly used to fit observed Ly α spectra, and investigate the connection between shell-model parameters and the physical parameters of the clumpy media. In shell models, the neutral hydrogen content of the shell is one of the key parameters controlling Ly α radiative transfer. Because Ly α spectra emerging from multiphase media depend much less on the neutral hydrogen content of the clumps, the shell-model parameters such as H i column density (but also shell velocity and dust content) are generally not well matched to the associated physical parameters of the clumpy media.« less

Ion acceleration in shell cylinders irradiated by a short intense laser pulse

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

Andreev, A.; ELI-ALPS, Szeged; Platonov, K.

The interaction of a short high intensity laser pulse with homo and heterogeneous shell cylinders has been analyzed using particle-in-cell simulations and analytical modeling. We show that the shell cylinder is proficient of accelerating and focusing ions in a narrow region. In the case of shell cylinder, the ion energy exceeds the ion energy for a flat target of the same thickness. The constructed model enables the evaluation of the ion energy and the number of ions in the focusing region.

Ballistic Simulation Method for Lithium Ion Batteries (BASIMLIB) Using Thick Shell Composites (TSC) in LS-DYNA

DTIC Science & Technology

2016-08-04

BAllistic SImulation Method for Lithium Ion Batteries (BASIMLIB) using Thick Shell Composites (TSC) in LS-DYNA Venkatesh Babu, Dr. Matt Castanier, Dr...Objective • Objective and focus of this work is to develop a – Robust simulation methodology to model lithium - ion based batteries in its module and full...unlimited  Lithium Ion Phosphate (LiFePO4) battery cell, module and pack was modeled in LS-DYNA using both Thin Shell Layer (TSL) and Thick Shell

Removal of malachite green from aqueous solutions by electrocoagulation/peanut shell adsorption coupling in a batch system.

PubMed

Wang, Xiansheng; Ni, Jiaheng; Pang, Shuo; Li, Ying

2017-04-01

A electrocoagulation (EC)/peanut shell (PS) adsorption coupling technique was studied for the removal of malachite green (MG) in our present work. The addition of an appropriate PS dosage (5 g/L) resulted in remarkable increase in the removal efficiency of MG at lower current density and shorter operating time compared with the conventional EC process. The effect of current density, pH of MG solution, dosage of PS and initial concentration of MG were also investigated. The maximum removal efficiency of MG was 98% under optimum conditions in 5 min. And it was 23% higher than that in EC process. Furthermore, the unit energy demand (UED) and the unit electrode material demand (UEMD) were calculated and discussed. The results demonstrated that the EC/PS adsorption coupling method achieved a reduction of 94% UED and UEMD compared with EC process.

Magnetic, core-shell structured and surface molecularly imprinted polymers for the rapid and selective recognition of salicylic acid from aqueous solutions

NASA Astrophysics Data System (ADS)

Zhang, Zulei; Niu, Dechao; Li, Yongsheng; Shi, Jianlin

2018-03-01

In this work, a novel kind of magnetic, core-shell structured and surface molecularly imprinted polymers (MMIPs) for the recognition of salicylic acid (SA) was facilely synthesized through a surface imprinting and sol-gel polymerization approach. The as-synthesized MMIPs exhibit uniform core-shell structure and favorable magnetic properties with a saturation magnetization of 22.8 emu g-1. The binding experiments demonstrated that MMIPs possessed high binding and specific recognition capacity, as well as fast binding kinetics and phase separation rate. The maximum binding capacity of MMIPs is around 36.8 mg g-1, nearly 6 times that of the magnetic non-imprinted polymers (MNIPs). Moreover, the selectivity experiments show that all the relative selectivity coefficients towards SA over its structure analogs are higher than 18, further indicating the markedly enhanced binding selectivity of MMIPs. Furthermore, the MMIPs were successfully applied for the determination of SA in environmental water samples with the recovery rates ranging from 94.0 to 108.0 %. This strategy may provide a versatile approach for the fabrication of well-defined molecularly imprinted polymers on nanomaterials for the analysis of complicated matrixes.

Investigation on the mechanical properties of polyurea (PU)/melamine formaldehyde (MF) microcapsules prepared with different chain extenders.

PubMed

Hu, Jianfeng; Zhang, Xiaotong; Qu, Jinqing

2018-05-02

There is lack of understanding on controlling of mechanical properties of moisture-curing PU/MF microcapsules which limited its further application. PU/MF microcapsules containing a core of isophorone diisocyanate (IPDI) were prepared with different chain extenders, polyetheramine D400, H 2 O, triethylenetetramine and polyetheramine (PEA) D230 by following a two-step synthesis method in this study. Fourier transform infra-red (FTIR) spectroscopy, Malvern particle sizing, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). And micromanipulation technique was used to identify chemical bonds in the shell, size distributions, structure, thickness, and mechanical properties of microcapsules. The results show that PU/MF microcapsules were successfully prepared. Tr increased from 46.4 ± 13.9 N/m to 75.8 ± 23.3 N/m when extender changed from D400 to D230. And the Tr increased from 51.3 ± 14.1 to 94.8 ± 17.5 N/m when the swelling time increased from 1 to 3h. Morphologies of the shell were utilised to understand the mechanism of reactions in forming the shell materials.

Elevated Temperature Tensile Tests on DU–10Mo Rolled Foils

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

Schulthess, Jason

2014-09-01

Tensile mechanical properties for uranium-10 wt.% molybdenum (U–10Mo) foils are required to support modeling and qualification of new monolithic fuel plate designs. It is expected that depleted uranium-10 wt% Mo (DU–10Mo) mechanical behavior is representative of the low enriched U–10Mo to be used in the actual fuel plates, therefore DU-10Mo was studied to simplify material processing, handling, and testing requirements. In this report, tensile testing of DU-10Mo fuel foils prepared using four different thermomechanical processing treatments were conducted to assess the impact of foil fabrication history on resultant tensile properties.

Nuclear structure for SNe r- and neutrino processes

NASA Astrophysics Data System (ADS)

Suzuki, Toshio

2014-09-01

SNe r- and neutrino-processes are investigated based on recent advances in the studies of spin responses in nuclei. New shell-model Hamiltonians, which can well describe spin responses in nuclei with proper tensor components, are used to make accurate evaluations of reaction cross sections and rates in astrophysical processes. Nucleosyntheses in SNe r- and ν -processes as well as rp-processes are discussed with these new reaction rates with improved accuracies. (1) Beta-decay rates for N = 126 isotones are evaluated by shell-model calculations, and new rates are applied to study r-process nucleosynthesis in SNe's around its third peak as well as beyond the peak region up to uranium. (2) ν -processes for light-element synthesis in core-collapse SNe are studied with a new shell-model Hamiltonian in p-shell, SFO. Effects of MSW ν -oscillations on the production yields of 7Li and 11B and sensitivity of the yield ratio on ν -oscillation parameters are discussed. ν -induced reactions on 16O are also studied. (3) A new shell-model Hamiltonian in pf-shell, GXPF1J, is used to evaluate e-capture rates in pf-shell nuclei at stellar environments. New e-capture rates are applied to study nucleosynthesis in type-Ia supernova explosions, rp-process and X-ray bursts.

Host susceptibility hypothesis for shell disease in American lobsters.

PubMed

Tlusty, Michael F; Smolowitz, Roxanna M; Halvorson, Harlyn O; DeVito, Simone E

2007-12-01

Epizootic shell disease (ESD) in American lobsters Homarus americanus is the bacterial degradation of the carapace resulting in extensive irregular, deep erosions. The disease is having a major impact on the health and mortality of some American lobster populations, and its effects are being transferred to the economics of the fishery. While the onset and progression of ESD in American lobsters is undoubtedly multifactorial, there is little understanding of the direct causality of this disease. The host susceptibility hypothesis developed here states that although numerous environmental and pathological factors may vary around a lobster, it is eventually the lobster's internal state that is permissive to or shields it from the final onset of the diseased state. To support the host susceptibility hypothesis, we conceptualized a model of shell disease onset and severity to allow further research on shell disease to progress from a structured model. The model states that shell disease onset will occur when the net cuticle degradation (bacterial degradation, decrease of host immune response to bacteria, natural wear, and resorption) is greater than the net deposition (growth, maintenance, and inflammatory response) of the shell. Furthermore, lesion severity depends on the extent to which cuticle degradation exceeds deposition. This model is consistent with natural observations of shell disease in American lobster.

In-Flight Aeroelastic Stability of the Thermal Protection System on the NASA HIAD, Part I: Linear Theory

NASA Technical Reports Server (NTRS)

Goldman, Benjamin D.; Dowell, Earl H.; Scott, Robert C.

2014-01-01

Conical shell theory and piston theory aerodynamics are used to study the aeroelastic stability of the thermal protection system (TPS) on the NASA Hypersonic Inflatable Aerodynamic Decelerator (HIAD). Structural models of the TPS consist of single or multiple orthotropic conical shell systems resting on several circumferential linear elastic supports. The shells in each model may have pinned (simply-supported) or elastically-supported edges. The Lagrangian is formulated in terms of the generalized coordinates for all displacements and the Rayleigh-Ritz method is used to derive the equations of motion. The natural modes of vibration and aeroelastic stability boundaries are found by calculating the eigenvalues and eigenvectors of a large coefficient matrix. When the in-flight configuration of the TPS is approximated as a single shell without elastic supports, asymmetric flutter in many circumferential waves is observed. When the elastic supports are included, the shell flutters symmetrically in zero circumferential waves. Structural damping is found to be important in this case. Aeroelastic models that consider the individual TPS layers as separate shells tend to flutter asymmetrically at high dynamic pressures relative to the single shell models. Several parameter studies also examine the effects of tension, orthotropicity, and elastic support stiffness.

Planetary Ice-Oceans: Numerical Modeling Study of Ice-Shell Growth in Convecting Two-Phase Systems

NASA Astrophysics Data System (ADS)

Allu Peddinti, Divya; McNamara, Allen

2017-04-01

Several icy bodies in the Solar system such as the icy moons Europa and Enceladus exhibit signs of subsurface oceans underneath an ice-shell. For Europa, the geologically young surface, the presence of surface features and the aligned surface chemistry pose interesting questions about formation of the ice-shell and its interaction with the ocean below. This also ties in with its astrobiological potential and implications for similar ice-ocean systems elsewhere in the cosmos. The overall thickness of the H2O layer on Europa is estimated to be 100-150 km while the thickness of the ice-shell is debated. Additionally, Europa is subject to tidal heating due to interaction with Jupiter's immense gravity field. It is of interest to understand how the ice-shell thickness varies in the presence of tidal internal heating and the localization of heating in different regions of the ice-shell. Thus this study aims to determine the effect of tidal internal heating on the growth rate of the ice-shell over time. We perform geodynamic modeling of the ice-ocean system in order to understand how the ice-shell thickness changes with time. The convection code employs the ice Ih-water phase diagram in order to model the two-phase convecting ice-ocean system. All the models begin from an initial warm thick ocean that cools from the top. The numerical experiments analyze three cases: case 1 with no tidal internal heating in the system, case 2 with constant tidal internal heating in the ice and case 3 with viscosity-dependent tidal internal heating in the ice. We track the ice-shell thickness as a function of time as the system cools. Modeling results so far have identified that the shell growth rate changes substantially at a point in time that coincides with a change in the planform of ice-convection cells. Additionally, the velocity vs depth plots indicate a shift from a conduction dominant to a convection dominant ice regime. We compare the three different cases to provide a comprehensive understanding of the temporal variation in the ice-shell thickness due to the addition of heating in the ice.

Double-detonation Sub-Chandrasekhar Supernovae: Synthetic Observables for Minimum Helium Shell Mass Models

NASA Astrophysics Data System (ADS)

Kromer, M.; Sim, S. A.; Fink, M.; Röpke, F. K.; Seitenzahl, I. R.; Hillebrandt, W.

2010-08-01

In the double-detonation scenario for Type Ia supernovae, it is suggested that a detonation initiates in a shell of helium-rich material accreted from a companion star by a sub-Chandrasekhar-mass white dwarf. This shell detonation drives a shock front into the carbon-oxygen white dwarf that triggers a secondary detonation in the core. The core detonation results in a complete disruption of the white dwarf. Earlier studies concluded that this scenario has difficulties in accounting for the observed properties of Type Ia supernovae since the explosion ejecta are surrounded by the products of explosive helium burning in the shell. Recently, however, it was proposed that detonations might be possible for much less massive helium shells than previously assumed (Bildsten et al.). Moreover, it was shown that even detonations of these minimum helium shell masses robustly trigger detonations of the carbon-oxygen core (Fink et al.). Therefore, it is possible that the impact of the helium layer on observables is less than previously thought. Here, we present time-dependent multi-wavelength radiative transfer calculations for models with minimum helium shell mass and derive synthetic observables for both the optical and γ-ray spectral regions. These differ strongly from those found in earlier simulations of sub-Chandrasekhar-mass explosions in which more massive helium shells were considered. Our models predict light curves that cover both the range of brightnesses and the rise and decline times of observed Type Ia supernovae. However, their colors and spectra do not match the observations. In particular, their B - V colors are generally too red. We show that this discrepancy is mainly due to the composition of the burning products of the helium shell of the Fink et al. models which contain significant amounts of titanium and chromium. Using a toy model, we also show that the burning products of the helium shell depend crucially on its initial composition. This leads us to conclude that good agreement between sub-Chandrasekhar-mass explosions and observed Type Ia supernovae may still be feasible but further study of the shell properties is required.

Combination of a proteomics approach and reengineering of meso scale network models for prediction of mode-of-action for tyrosine kinase inhibitors.

PubMed

Balabanov, Stefan; Wilhelm, Thomas; Venz, Simone; Keller, Gunhild; Scharf, Christian; Pospisil, Heike; Braig, Melanie; Barett, Christine; Bokemeyer, Carsten; Walther, Reinhard; Brümmendorf, Tim H; Schuppert, Andreas

2013-01-01

In drug discovery, the characterisation of the precise modes of action (MoA) and of unwanted off-target effects of novel molecularly targeted compounds is of highest relevance. Recent approaches for identification of MoA have employed various techniques for modeling of well defined signaling pathways including structural information, changes in phenotypic behavior of cells and gene expression patterns after drug treatment. However, efficient approaches focusing on proteome wide data for the identification of MoA including interference with mutations are underrepresented. As mutations are key drivers of drug resistance in molecularly targeted tumor therapies, efficient analysis and modeling of downstream effects of mutations on drug MoA is a key to efficient development of improved targeted anti-cancer drugs. Here we present a combination of a global proteome analysis, reengineering of network models and integration of apoptosis data used to infer the mode-of-action of various tyrosine kinase inhibitors (TKIs) in chronic myeloid leukemia (CML) cell lines expressing wild type as well as TKI resistance conferring mutants of BCR-ABL. The inferred network models provide a tool to predict the main MoA of drugs as well as to grouping of drugs with known similar kinase inhibitory activity patterns in comparison to drugs with an additional MoA. We believe that our direct network reconstruction approach, demonstrated on proteomics data, can provide a complementary method to the established network reconstruction approaches for the preclinical modeling of the MoA of various types of targeted drugs in cancer treatment. Hence it may contribute to the more precise prediction of clinically relevant on- and off-target effects of TKIs.

Combination of a Proteomics Approach and Reengineering of Meso Scale Network Models for Prediction of Mode-of-Action for Tyrosine Kinase Inhibitors

PubMed Central

Balabanov, Stefan; Wilhelm, Thomas; Venz, Simone; Keller, Gunhild; Scharf, Christian; Pospisil, Heike; Braig, Melanie; Barett, Christine; Bokemeyer, Carsten; Walther, Reinhard

2013-01-01

In drug discovery, the characterisation of the precise modes of action (MoA) and of unwanted off-target effects of novel molecularly targeted compounds is of highest relevance. Recent approaches for identification of MoA have employed various techniques for modeling of well defined signaling pathways including structural information, changes in phenotypic behavior of cells and gene expression patterns after drug treatment. However, efficient approaches focusing on proteome wide data for the identification of MoA including interference with mutations are underrepresented. As mutations are key drivers of drug resistance in molecularly targeted tumor therapies, efficient analysis and modeling of downstream effects of mutations on drug MoA is a key to efficient development of improved targeted anti-cancer drugs. Here we present a combination of a global proteome analysis, reengineering of network models and integration of apoptosis data used to infer the mode-of-action of various tyrosine kinase inhibitors (TKIs) in chronic myeloid leukemia (CML) cell lines expressing wild type as well as TKI resistance conferring mutants of BCR-ABL. The inferred network models provide a tool to predict the main MoA of drugs as well as to grouping of drugs with known similar kinase inhibitory activity patterns in comparison to drugs with an additional MoA. We believe that our direct network reconstruction approach, demonstrated on proteomics data, can provide a complementary method to the established network reconstruction approaches for the preclinical modeling of the MoA of various types of targeted drugs in cancer treatment. Hence it may contribute to the more precise prediction of clinically relevant on- and off-target effects of TKIs. PMID:23326482

The geochemistry of redox sensitive trace metals in sediments

NASA Astrophysics Data System (ADS)

Morford, Jennifer L.; Emerson, Steven

1999-06-01

We analyzed the redox sensitive elements V, Mo, U, Re and Cd in surface sediments from the Northwest African margin, the U.S. Northwest margin and the Arabian Sea to determine their response under a range of redox conditions. Where oxygen penetrates 1 cm or less into the sediments, Mo and V diffuse to the overlying water as Mn is reduced and remobilized. Authigenic enrichments of U, Re and Cd are evident under these redox conditions. With the onset of sulfate reduction, all of the metals accumulate authigenically with Re being by far the most enriched. General trends in authigenic metal accumulation are described by calculating authigenic fluxes for the 3 main redox regimes: oxic, reducing where oxygen penetrates ≤1 cm, and anoxic conditions. Using a simple diagenesis model and global estimates of organic carbon rain rate and bottom water oxygen concentrations, we calculate the area of sediments below 1000 m water depth in which oxygen penetration is ≤1 cm to be 4% of the ocean floor. We conclude that sediments where oxygen penetrates ≤1 cm release Mn, V and Mo to seawater at rates of 140%-260%, 60%-150% and 5%-10% of their respective riverine fluxes, using the authigenic metal concentrations and accumulation rates from this work and other literature. These sediments are sinks for Re, Cd and U, with burial fluxes of 70%-140%, 30%-80% and 20%-40%, respectively, of their dissolved riverine inputs. We modeled the sensitivity of the response of seawater Re, Cd and V concentrations to changes in the area of reducing sediments where oxygen penetrates ≤1 cm. Our analysis suggests a negligible change in seawater Re concentration, whereas seawater concentrations of Cd and V could have decreased and increased, respectively, by 5%-10% over 20 kyr if the area of reducing sediments increased by a factor of 2 and by 10%-20% if the area increased by a factor of 3. The concentration variations for a factor of 2 increase in the area of reducing sediments are at about the level of uncertainty of Cd/Ca and V/Ca ratios observed in foraminifera shells over the last 40 kyr. This implies that the area of reducing sediments in the ocean deeper than 1000 m (4%) has not been greater than twice the present value in the recent past.

Nanoscale coordination polymers exhibiting luminescence properties and NMR relaxivity

NASA Astrophysics Data System (ADS)

Chelebaeva, Elena; Larionova, Joulia; Guari, Yannick; Ferreira, Rute A. S.; Carlos, Luis D.; Trifonov, Alexander A.; Kalaivani, Thangavel; Lascialfari, Alessandro; Guérin, Christian; Molvinger, Karine; Datas, Lucien; Maynadier, Marie; Gary-Bobo, Magali; Garcia, Marcel

2011-03-01

This article presents the first example of ultra-small (3-4 nm) magneto-luminescent cyano-bridged coordination polymer nanoparticles Ln0.333+Gdx3+/[Mo(CN)8]3- (Ln = Eu (x = 0.34), Tb (x = 0.35)) enwrapped by a natural biocompatible polymer chitosan. The aqueous colloidal solutions of these nanoparticles present a luminescence characteristic of the corresponding lanthanides (5D0 --> 7F0-4 (Eu3+) or the 5D4 --> 7F6-2 (Tb3+)) under UV excitation and a green luminescence of the chitosan shell under excitation in the visible region. Magnetic Resonance Imaging (MRI) efficiency, i.e. the nuclear relaxivity, measurements performed for Ln0.333+Gdx3+/[Mo(CN)8]3- nanoparticles show r1p and r2p relaxivities slightly higher than or comparable to the ones of the commercial paramagnetic compounds Gd-DTPA® or Omniscan® indicating that our samples may potentially be considered as a positive contrast agent for MRI. The in vitro studies performed on these nanoparticles show that they maybe internalized into human cancer and normal cells and well detected by fluorescence at the single cell level. They present high stability even at low pH and lack of cytotoxicity both in human cancer and normal cells.This article presents the first example of ultra-small (3-4 nm) magneto-luminescent cyano-bridged coordination polymer nanoparticles Ln0.333+Gdx3+/[Mo(CN)8]3- (Ln = Eu (x = 0.34), Tb (x = 0.35)) enwrapped by a natural biocompatible polymer chitosan. The aqueous colloidal solutions of these nanoparticles present a luminescence characteristic of the corresponding lanthanides (5D0 --> 7F0-4 (Eu3+) or the 5D4 --> 7F6-2 (Tb3+)) under UV excitation and a green luminescence of the chitosan shell under excitation in the visible region. Magnetic Resonance Imaging (MRI) efficiency, i.e. the nuclear relaxivity, measurements performed for Ln0.333+Gdx3+/[Mo(CN)8]3- nanoparticles show r1p and r2p relaxivities slightly higher than or comparable to the ones of the commercial paramagnetic compounds Gd-DTPA® or Omniscan® indicating that our samples may potentially be considered as a positive contrast agent for MRI. The in vitro studies performed on these nanoparticles show that they maybe internalized into human cancer and normal cells and well detected by fluorescence at the single cell level. They present high stability even at low pH and lack of cytotoxicity both in human cancer and normal cells. Electronic supplementary information (ESI) available: TEM images and size distribution histograms, IR and emission spectra, diffraction pattern and HRTEM coupled EDX analysis. See DOI: 10.1039/c0nr00709a

Oxidation process of MoO xC y to MoO 3: kinetics and mechanism

NASA Astrophysics Data System (ADS)

Aleman-Vázquez, L. O.; Torres-García, E.; Rodríguez-Gattorno, G.; Ocotlán-Flores, J.; Camacho-López, M. A.; Cano, J. L.

2004-10-01

A non-isothermal kinetic study of the oxidation of "carbon-modified MoO3" in the temperature range of 150-550°C by simultaneous TGA-DTA was investigated. During the oxidation process, two thermal events were detected, which are associated with the oxidation of carbon in MoOxCy and MoO2 to MoO3. The model-free and model-fitting kinetic approaches have been applied to TGA experimental data. The solid state-kinetics of the oxidation of MoOxCy to MoO3 is governed by F1 (unimolecular decay), which suggests that the reaction is of the first order with respect to oxygen concentration. The constant (Ea)α value (about 115±5 kJ/mol) for this first stage can be related to the nature of the reaction site in the MoO3 matrix. This indicates that oxidation occurs in well-defined lattice position sites (energetically equivalent). On the other hand, for the second stage of oxidation, MoO2 to MoO3, the isoconversional analysis shows a complex (Ea)α dependence on (α) and reveals a typical behavior for competitive reaction. A D2 (two-dimensional diffusion) mechanism with a variable activation energy value in the range 110-200 kJ/mol was obtained. This can be interpreted as an inter-layer oxygen diffusion in the solid bulk, which does not exclude other simultaneous mechanism reactions.

Structure and stability of molybdenum sulfide fullerenes.

PubMed

Bar-Sadan, M; Enyashin, A N; Gemming, S; Popovitz-Biro, R; Hong, S Y; Prior, Yehiam; Tenne, R; Seifert, G

2006-12-21

MoS2 nanooctahedra are believed to be the smallest stable closed-cage structures of MoS2, i.e., the genuine inorganic fullerenes. Here a combination of experiments and density functional tight binding calculations with molecular dynamics annealing are used to elucidate the structures and electronic properties of octahedral MoS2 fullerenes. Through the use of these calculations MoS2 octahedra were found to be stable beyond nMo > 100 but with the loss of 12 sulfur atoms in the six corners. In contrast to bulk and nanotubular MoS2, which are semiconductors, the Fermi level of the nanooctahedra is situated within the band, thus making them metallic-like. A model is used for extending the calculations to much larger sizes. These model calculations show that, in agreement with experiment, the multiwall nanooctahedra are stable over a limited size range of 104-105 atoms, whereupon they are converted into multiwall MoS2 nanoparticles with a quasi-spherical shape. On the experimental side, targets of MoS2 and MoSe2 were laser-ablated and analyzed mostly through transmission electron microscopy. This analysis shows that, in qualitative agreement with the theoretical analysis, multilayer nanooctahedra of MoS2 with 1000-25 000 atoms (Mo + S) are stable. Furthermore, this and previous work show that beyond approximately 105 atoms fullerene-like structures with quasi-spherical forms and 30-100 layers become stable. Laser-ablated WS2 samples yielded much less faceted and sometimes spherically symmetric nanocages.

Shell Tectonics: A Mechanical Model for Strike-slip Displacement on Europa

NASA Technical Reports Server (NTRS)

Rhoden, Alyssa Rose; Wurman, Gilead; Huff, Eric M.; Manga, Michael; Hurford, Terry A.

2012-01-01

We introduce a new mechanical model for producing tidally-driven strike-slip displacement along preexisting faults on Europa, which we call shell tectonics. This model differs from previous models of strike-slip on icy satellites by incorporating a Coulomb failure criterion, approximating a viscoelastic rheology, determining the slip direction based on the gradient of the tidal shear stress rather than its sign, and quantitatively determining the net offset over many orbits. This model allows us to predict the direction of net displacement along faults and determine relative accumulation rate of displacement. To test the shell tectonics model, we generate global predictions of slip direction and compare them with the observed global pattern of strike-slip displacement on Europa in which left-lateral faults dominate far north of the equator, right-lateral faults dominate in the far south, and near-equatorial regions display a mixture of both types of faults. The shell tectonics model reproduces this global pattern. Incorporating a small obliquity into calculations of tidal stresses, which are used as inputs to the shell tectonics model, can also explain regional differences in strike-slip fault populations. We also discuss implications for fault azimuths, fault depth, and Europa's tectonic history.

Effects of Post-harvest Storage Duration and Variety on Nutrient Digestibility and Energy Content Wheat in Finishing Pigs.

PubMed

Guo, P P; Li, P L; Li, Z C; Stein, H H; Liu, L; Xia, T; Yang, Y Y; Ma, Y X

2015-10-01

This study was conducted to investigate the effects of post-harvest storage duration and wheat variety on the digestibility and energy content of new season wheat fed to finishing pigs. Two wheat varieties (Shi and Zhong) were harvested in 2013 and stored in the warehouse of the Fengning Pig Experimental Base at China Agricultural University for 3, 6, 9, or 12 mo. For each storage period, 12 barrows were placed in metabolism crates and allotted to diets containing 1 of the 2 wheat varieties in a randomized complete block design. The experimental diets contained 97.34% wheat and 2.66% of a vitamin and trace mineral premix. With an extension of storage duration from 3 mo to 12 mo, the gross energy (GE) and crude protein (CP) of the wheat decreased by 2.0% and 12.01%, respectively, while the concentration of neutral detergent fiber (NDF), acid detergent fiber (ADF) and starch content increased by 30.26%, 19.08%, and 2.46%, respectively. Total non-starch polysaccharide, total arabinose, total xylose and total mannose contents decreased by 46.27%, 45.80%, 41.71%, and 75.66%, respectively. However, there were no significant differences in the chemical composition between the two wheat varieties with the exception of ADF which was approximately 13.37% lower in Shi. With an extension of storage duration from 3 mo to 12 mo, the digestible energy (DE), metabolizable energy (ME) content and the apparent total tract digestibility of GE, CP, dry matter, organic matter, ether extract, ADF and metabolizability of energy in wheat decreased linearly (p<0.01) by 5.74%, 7.60%, 3.75%, 3.88%, 3.50%, 2.47%, 26.22%, 27.62%, and 3.94%, respectively. But the digestibility of NDF changed quadratically (p<0.01). There was an interaction between wheat variety and storage time for CP digestibility (p<0.05), such that the CP digestibility of variety Zhong was stable during 9 mo of storage, while the CP digestibility of variety Shi decreased (p<0.05). In conclusion, the GE, DE, and ME of wheat was stable during the first 3 to 6 mo of post-harvest storage, and decreased during the following 6 to 12 mo of storage under the conditions of this study.

Two-nucleon high-spin states, the Bansal-French model and the crude shell model

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

Chan, T.U.

Recent data on two-nucleon stretched high-spin states agree well with the crude shell model predictions. For two-neutron high-spin states, the A and T linear dependence of B/sub 2n/ in the Bansal-French model can be deduced from the A and T linear dependence of B/sub n/ and the crude shell model. 7/sub 2//sup -/ states in some Zn and Ge even nuclei might be two-proton states. This hypothesis should be confirmed by two-proton transfer reaction.

An immersed-shell method for modelling fluid–structure interactions

PubMed Central

Viré, A.; Xiang, J.; Pain, C. C.

2015-01-01

The paper presents a novel method for numerically modelling fluid–structure interactions. The method consists of solving the fluid-dynamics equations on an extended domain, where the computational mesh covers both fluid and solid structures. The fluid and solid velocities are relaxed to one another through a penalty force. The latter acts on a thin shell surrounding the solid structures. Additionally, the shell is represented on the extended domain by a non-zero shell-concentration field, which is obtained by conservatively mapping the shell mesh onto the extended mesh. The paper outlines the theory underpinning this novel method, referred to as the immersed-shell approach. It also shows how the coupling between a fluid- and a structural-dynamics solver is achieved. At this stage, results are shown for cases of fundamental interest. PMID:25583857

Effects of Drift-Shell Splitting by Chorus Waves on Radiation Belt Electrons

NASA Astrophysics Data System (ADS)

Chan, A. A.; Zheng, L.; O'Brien, T. P., III; Tu, W.; Cunningham, G.; Elkington, S. R.; Albert, J.

2015-12-01

Drift shell splitting in the radiation belts breaks all three adiabatic invariants of charged particle motion via pitch angle scattering, and produces new diffusion terms that fully populate the diffusion tensor in the Fokker-Planck equation. Based on the stochastic differential equation method, the Radbelt Electron Model (REM) simulation code allows us to solve such a fully three-dimensional Fokker-Planck equation, and to elucidate the sources and transport mechanisms behind the phase space density variations. REM has been used to perform simulations with an empirical initial phase space density followed by a seed electron injection, with a Tsyganenko 1989 magnetic field model, and with chorus wave and ULF wave diffusion models. Our simulation results show that adding drift shell splitting changes the phase space location of the source to smaller L shells, which typically reduces local electron energization (compared to neglecting drift-shell splitting effects). Simulation results with and without drift-shell splitting effects are compared with Van Allen Probe measurements.

The Mesozoic Caosiyao giant porphyry Mo deposit in Inner Mongolia, North China and Paleo-Pacific subduction-related magmatism in the northern North China Craton

NASA Astrophysics Data System (ADS)

Wu, Huaying; Zhang, Lianchang; Pirajno, Franco; Shu, Qihai; Zhang, Min; Zhu, Mingtian; Xiang, Peng

2016-09-01

The Caosiyao giant porphyry Mo deposit is located in the Wulanchabu area of Inner Mongolia, within the northern North China Craton (NCC). It contains more than 2385 Mt of ore with an average grade of 0.075% Mo. In the Caosiyao mining district, Mo mineralization occurs mainly in a Mesozoic granite porphyry as disseminations and stockworks, with some Mo distributed in Archean metamorphic rocks and diabase as stockworks and veins. The host granite porphyry is composed of two different phases that can be distinguished based on mineral assemblages and textures: one phase contains large and abundant phenocrysts (coarse-grained), while the other phase is characterized by fewer and smaller phenocrysts (medium-grained). Zircon U-Pb-Hf analyses of the former phase yielded a concordant 206Pb/238U age of 149.8 ± 2.4 Ma with a 206Pb/238U weighted mean age of 149.9 ± 2.4 Ma and εHf(t) values ranging from -12.2 to 18.3, while the latter phase gave a concordant 206Pb/238U age of 149.0 ± 2.2 Ma with a 206Pb/238U weighted mean age of 149.0 ± 2.1 Ma and εHf(t) values ranging from -13.1 to 17.7. Five samples of disseminated molybdenite have a 187Re-187Os isochron age of 149.5 ± 5.3 Ma with a weighted average age of 149.0 ± 1.8 Ma, whereas six veinlet-type molybdenite samples have a well-constrained 187Re-187Os isochron age of 146.9 ± 3.1 Ma and a weighted average age of 146.5 ± 0.8 Ma. Thus, it is suggested that the Mo mineralization of the Caosiyao deposit occurred during the Late Jurassic (ca. 147-149 Ma), almost coeval with the emplacement of the host granite porphyry (ca. 149-150 Ma). The host granite porphyry is characterized by high silica (SiO2 = 71.52-74.10 wt%), relatively high levels of oxidation (Fe2O3/FeO = 0.32-0.94 wt%) and high alkali element concentrations (Na2O + K2O = 8.21-8.76 wt%). The host granite porphyry also shows enrichments in U and K, and depletion in Ba, Sr, P, Eu, and Ti, suggesting strong fractional crystallization of plagioclase, biotite, and accessory minerals. These observations, together with high SiO2 contents and a high differentiation index (DI = 89.04-92.44), indicate a strong differentiation of the granite magma. Based on geological, geochronological, isotope systematics, and geochemical studies, we propose, for the first time, a genetic model for the Caosiyao porphyry Mo deposit. Under a regional extensional setting caused by far-field tectonics related to the Paleo-Pacific subduction during the Late Jurassic, a series of geodynamic, magmatic, and ore-forming processes took place, including formation of multi-directional and multi-phase faults, emplacement of the granitic host rocks, and Mo mineralization. Highly silicic, highly oxidized, and alkali-rich granitic magma, derived from partial melting of old lower crust, intruded into the country rocks. This highly differentiated granitic magma and the exsolved ore-forming fluids, enriched in Mo, migrated upward and interacted with the wall rocks. Eventually, ore minerals precipitated in fractures, resulting in the extensive deposition of molybdenite.

Influences of external vs. core-shell mixing on aerosol optical properties at various relative humidities.

PubMed

Ramachandran, S; Srivastava, Rohit

2013-05-01

Aerosol optical properties of external and core-shell mixtures of aerosol species present in the atmosphere are calculated in this study for different relative humidities. Core-shell Mie calculations are performed using the values of radii, refractive indices and densities of aerosol species that act as core and shell, and the core-shell radius ratio. The single scattering albedo (SSA) is higher when the absorbing species (black carbon, BC) is the core, while for a sulfate core SSA does not vary significantly as the BC in the shell dominates the absorption. Absorption gets enhanced in core-shell mixing of absorbing and scattering aerosols when compared to their external mixture. Thus, SSA is significantly lower for a core-shell mixture than their external mixture. SSA is more sensitive to core-shell ratio than mode radius when BC is the core. The extinction coefficient, SSA and asymmetry parameter are higher for external mixing when compared to BC (core)-water soluble aerosol (shell), and water soluble aerosol (core)-BC (shell) mixtures in the relative humidity range of 0 to 90%. Spectral SSA exhibits the behaviour of the species which acts as a shell in core-shell mixing. The asymmetry parameter for an external mixture of water soluble aerosol and BC is higher than BC (core)-water soluble aerosol (shell) mixing and increases as function of relative humidity. The asymmetry parameter for the water soluble aerosol (core)-BC (shell) is independent of relative humidity as BC is hydrophobic. The asymmetry parameter of the core-shell mixture decreases when BC aerosols are involved in mixing, as the asymmetry parameter of BC is lower. Aerosol optical depth (AOD) of core-shell mixtures increases at a higher rate when the relative humidity exceeds 70% in continental clean and urban aerosol models, whereas AOD remains the same when the relative humidity exceeds 50% in maritime aerosol models. The SSA for continental aerosols varies for core-shell mixing of water soluble aerosol (core)-shell (BC) when compared to their external mixture, while the SSA for maritime aerosols does not vary significantly for different mixing scenarios because of the dominance of sea salt aerosols. Thus, these results confirm that aerosol mixing can modify the physical and optical characteristics of aerosols, which vary as a function of relative humidity. These calculations will be useful in parameterising the effect of core-shell vs. external mixing of aerosols in global climate models, and in the evaluation of aerosol radiative effects.

Imperfection sensitivity of pressured buckling of biopolymer spherical shells

NASA Astrophysics Data System (ADS)

Zhang, Lei; Ru, C. Q.

2016-06-01

Imperfection sensitivity is essential for mechanical behavior of biopolymer shells [such as ultrasound contrast agents (UCAs) and spherical viruses] characterized by high geometric heterogeneity. In this work, an imperfection sensitivity analysis is conducted based on a refined shell model recently developed for spherical biopolymer shells of high structural heterogeneity and thickness nonuniformity. The influence of related parameters (including the ratio of radius to average shell thickness, the ratio of transverse shear modulus to in-plane shear modulus, and the ratio of effective bending thickness to average shell thickness) on imperfection sensitivity is examined for pressured buckling. Our results show that the ratio of effective bending thickness to average shell thickness has a major effect on the imperfection sensitivity, while the effect of the ratio of transverse shear modulus to in-plane shear modulus is usually negligible. For example, with physically realistic parameters for typical imperfect spherical biopolymer shells, the present model predicts that actual maximum external pressure could be reduced to as low as 60% of that of a perfect UCA spherical shell or 55%-65% of that of a perfect spherical virus shell, respectively. The moderate imperfection sensitivity of spherical biopolymer shells with physically realistic imperfection is largely attributed to the fact that biopolymer shells are relatively thicker (defined by smaller radius-to-thickness ratio) and therefore practically realistic imperfection amplitude normalized by thickness is very small as compared to that of classical elastic thin shells which have much larger radius-to-thickness ratio.

Application of the flow-through time-resolved analysis technique to trace element determination in ostracod shells

NASA Astrophysics Data System (ADS)

Börner, Nicole; De Baere, Bart; Francois, Roger; Frenzel, Peter; Schwalb, Antje

2014-05-01

Trace element analyses of ostracod shells are a vital tool for paleoenvironmental reconstructions from lake sediments (Börner et al., 2013). Conventional batch dissolution ICP-MS is the most common way for analyzing trace elements in ostracod shells. However, due to dissolution or secondary overgrowth the primary signal may be masked. Resulting variations in trace element composition have been identified to be in the order of a magnitude range. Therefore, the application of the newly developed flow-through technique will be assessed. The flow-through time-resolved analysis technique allows to chemically separate mineral phases of different solubility such as, in particular, original shell calcite from overgrowth calcite, and thus to correct the measurements for the biogenic signal. During a flow-through experiment, eluent is continuously pumped through a sample column, typically a filter in which the ostracod valves are loaded. The gradual dissolution of the substrate is controlled by a combination of eluent type, eluent temperature and eluent flow rate. The dissolved sample then flows directly to a mass spectrometer. The resulting data is a chromatogram, featuring different mineral phases dissolving as time progresses. Hence, the flow-through technique provides a detailed geochemical fingerprint of the substrate and therefore additional data relative to conventional methods. To calibrate this technique for the application to ostracods we use ostracod shells from Southern Tibetan Plateau lakes, which feature an alkaline environment but show highly diverse hydrochemistry. Cleaned as well as uncleaned ostracod shells show similarity in their trace element signals, allowing measurements without prior cleaning of the shells, and thus more time-efficient sample throughput. Measurements of unclean shells are corrected for the biogenic signal using an equation from Klinkhammer et al. (2004). Another advantage is that the measurements can be carried out on single ostracod shells, as not every single sediment sample contains enough adult intact specimens of all required genera, making batch cleaning dissolution impossible. The flow-through time-resolved analysis technique gives an accurate and high-resolution dataset. The trace elemental data for living ostracods compared to the hydrological data from each sampling site provides a calibration dataset for further hydrological and thus climatological reconstruction of a sediment core from Nam Co. Mg/Ca and Sr/Ca ratios in ostracod shells will provide information about past water temperature and salinity resulting from changes in precipitation vs. evaporation ratios and monsoon activity. Further, we will exploit Mn/Ca, Fe/Ca and U/Ca ratios as redox indicators to reconstruct oxygenation cycles and Ba/Ca ratios to detect changes in productivity and/or salinity. This reconstruction should provide a more extensive insight in past climatic change, e.g. precipitation - evaporation balance, lake level and circulation changes, and the recording of environmental signatures by ostracod shells. Börner, N., De Baere, B., Yang, Q., Jochum, K.P., Frenzel, P., Andreae, M.O., Schwalb, A., 2013. Ostracod shell chemistry as proxy for paleoenvironmental change. Quaternary International 313-314, 17-37. Klinkhammer, G.P., Haley, B.A., Mix, A.C., Benway, H., Cheseby, M., 2004. Evaluation of automated flow-through time-resolved analysis of foraminifera for Mg/Ca paleothermometry. Paleoceanography 19, PA4030.

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

Brink, Adam Ray; Quinn, D. Dane

This paper describes the energy dissipation arising from microslip for an elastic shell incorporating shear and longitudinal deformation resting on a rough-rigid foundation. This phenomenon is investigated using finite element (FE) analysis and nonlinear geometrically exact shell theory. Both approaches illustrate the effect of shear within the shell and observe a reduction in the energy dissipated from microslip as compared to a similar system neglecting shear deformation. In particular, it is found that the shear deformation allows for load to be transmitted beyond the region of slip so that the entire interface contributes to the load carrying capability of themore » shell. The energy dissipation resulting from the shell model is shown to agree well with that arising from the FE model, and this representation can be used as a basis for reduced order models that capture the microslip phenomenon.« less

Orbital Dimer Model for the Spin-Glass State in Y 2 Mo 2 O 7

DOE PAGES

Thygesen, Peter M. M.; Paddison, Joseph A. M.; Zhang, Ronghuan; ...

2017-02-08

The formation of a spin glass generally requires that magnetic exchange interactions are both frustrated and disordered. Consequently, the origin of spin-glass behavior in Y 2Mo 2O 7-in which magnetic Mo 4+ ions occupy a frustrated pyrochlore lattice with minimal compositional disorder-has been a longstanding question. Here, we use neutron and x-ray pair-distribution function (PDF) analysis to develop a disorder model that resolves apparent incompatibilities between previously reported PDF, extended x-rayabsorption fine structure spectroscopy, and NMR studies, and provides a new and physical explanation of the exchange disorder responsible for spin-glass formation. We show that Mo 4+ ions displace accordingmore » to a local "two-in-two-out" rule on each Mo 4 tetrahedron, driven by orbital dimerization of Jahn-Teller active Mo 4+ ions. Long-range orbital order is prevented by the macroscopic degeneracy of dimer coverings permitted by the pyrochlore lattice. Cooperative O 2- displacements yield a distribution of Mo-O-Mo angles, which in turn introduces disorder into magnetic interactions. In conclusion, our study demonstrates experimentally how frustration of atomic displacements can assume the role of compositional disorder in driving a spin-glass transition.« less

Orbital Dimer Model for the Spin-Glass State in Y_{2}Mo_{2}O_{7}.

PubMed

Thygesen, Peter M M; Paddison, Joseph A M; Zhang, Ronghuan; Beyer, Kevin A; Chapman, Karena W; Playford, Helen Y; Tucker, Matthew G; Keen, David A; Hayward, Michael A; Goodwin, Andrew L

2017-02-10

The formation of a spin glass generally requires that magnetic exchange interactions are both frustrated and disordered. Consequently, the origin of spin-glass behavior in Y_{2}Mo_{2}O_{7}-in which magnetic Mo^{4+} ions occupy a frustrated pyrochlore lattice with minimal compositional disorder-has been a longstanding question. Here, we use neutron and x-ray pair-distribution function (PDF) analysis to develop a disorder model that resolves apparent incompatibilities between previously reported PDF, extended x-ray-absorption fine structure spectroscopy, and NMR studies, and provides a new and physical explanation of the exchange disorder responsible for spin-glass formation. We show that Mo^{4+} ions displace according to a local "two-in-two-out" rule on each Mo_{4} tetrahedron, driven by orbital dimerization of Jahn-Teller active Mo^{4+} ions. Long-range orbital order is prevented by the macroscopic degeneracy of dimer coverings permitted by the pyrochlore lattice. Cooperative O^{2-} displacements yield a distribution of Mo-O-Mo angles, which in turn introduces disorder into magnetic interactions. Our study demonstrates experimentally how frustration of atomic displacements can assume the role of compositional disorder in driving a spin-glass transition.

Slush Fund: The Multiphase Nature of Oceanic Ices and Its Role in Shaping Europa's Icy Shell

NASA Astrophysics Data System (ADS)

Buffo, J.; Schmidt, B. E.; Huber, C.

2017-12-01

The role of Europa's ice shell in mediating ocean-surface interaction, constraining potential habitability of the underlying hydrosphere, and dictating the surface morphology of the moon is discussed extensively in the literature, yet the dynamics and characteristics of the shell itself remain largely unconstrained. Some of the largest unknowns arise from underrepresented physics and varying a priori assumptions built into the current ice shell models. Here we modify and apply a validated one-dimensional reactive transport model designed to simulate the formation and evolution of terrestrial sea ice to the Europa environment. The top-down freezing of sea ice due to conductive heat loss to the atmosphere is akin to the formation of the Jovian moon's outer ice shell, albeit on a different temporal and spatial scale. Nevertheless, the microscale physics that govern the formation of sea ice on Earth (heterogenous solidification leading to brine pockets and channels, multiphase reactive transport phenomena, gravity drainage) likely operate in a similar manner at the ice-ocean interface of Europa, dictating the thermal, chemical, and mechanical properties of the ice shell. Simulations of the European ice-ocean interface at different stages during the ice shell's evolution are interpolated to produce vertical profiles of temperature, salinity, solid fraction, and eutectic points throughout the entire shell. Additionally, the model is coupled to the equilibrium chemistry package FREZCHEM to investigate the impact a diverse range of putative European ocean chemistries has on ice shell properties. This method removes the need for a priori assumptions of impurity entrainment rates and ice shell properties, thus providing a first principles constraint on the stratigraphic characteristics of a simulated European ice shell. These insights have the potential to improve existing estimates for the onset of solid state convection, melt lens formation due to eutectic melting, ice shell thickness, and ocean-surface interaction rates. Moreover, this work aims to shed light on the important role microscale physics plays in determining the macroscale properties of icy worlds by highlighting and adapting successful multiphase reactive transport sea ice models utilized in large scale Earth systems science simulations.

Radial Mixing and Ru-Mo Isotope Systematics Under Different Accretion Scenarios

NASA Astrophysics Data System (ADS)

Fischer, R. A.; Nimmo, F.; O'Brien, D. P.

2017-12-01

The Ru-Mo isotopic compositions of inner Solar System bodies may reflect the provenance of accreted material and how it evolved with time, both of which are controlled by the accretion scenario these bodies experienced. Here we use a total of 116 N-body simulations of terrestrial planet accretion, run in the Eccentric Jupiter and Saturn (EJS), Circular Jupiter and Saturn (CJS), and Grand Tack scenarios, to model the Ru-Mo anomalies of Earth, Mars, and Theia analogues. This model starts by applying an initial step function in Ru-Mo isotopic composition, with compositions reflecting those in meteorites, and traces compositional evolution as planets accrete. The mass-weighted provenance of the resulting planets reveals more radial mixing in Grand Tack simulations than in EJS/CJS simulations, and more efficient mixing among late-accreted material than during the main phase of accretion in EJS/CJS simulations. We find that an extensive homogenous inner disk region is required to reproduce Earth's observed Ru-Mo composition. EJS/CJS simulations require a homogeneous reservoir in the inner disk extending to ≥3-4 AU (≥74-98% of initial mass) to reproduce Earth's composition, while Grand Tack simulations require a homogeneous reservoir extending to ≥3-10 AU (≥97-99% of initial mass), and likely to ≥7-10 AU. In the Grand Tack model, Jupiter's initial location (the most likely location for a discontinuity in isotopic composition) is 3.5 AU; however, this step location has only a 33% likelihood of producing an Earth with the correct Ru-Mo isotopic signature for the most plausible model conditions. Our results give the testable predictions that Mars has zero Ru anomaly and small or zero Mo anomaly, and the Moon has zero Mo anomaly. These predictions are insensitive to wide variations in parameter choices.

Calculation methods study on hot spot stress of new girder structure detail

NASA Astrophysics Data System (ADS)

Liao, Ping; Zhao, Renda; Jia, Yi; Wei, Xing

2017-10-01

To study modeling calculation methods of new girder structure detail's hot spot stress, based on surface extrapolation method among hot spot stress method, a few finite element analysis models of this welded detail were established by finite element software ANSYS. The influence of element type, mesh density, different local modeling methods of the weld toe and extrapolation methods was analyzed on hot spot stress calculation results at the toe of welds. The results show that the difference of the normal stress in the thickness direction and the surface direction among different models is larger when the distance from the weld toe is smaller. When the distance from the toe is greater than 0.5t, the normal stress of solid models, shell models with welds and non-weld shell models tends to be consistent along the surface direction. Therefore, it is recommended that the extrapolated point should be selected outside the 0.5t for new girder welded detail. According to the results of the calculation and analysis, shell models have good grid stability, and extrapolated hot spot stress of solid models is smaller than that of shell models. So it is suggested that formula 2 and solid45 should be carried out during the hot spot stress extrapolation calculation of this welded detail. For each finite element model under different shell modeling methods, the results calculated by formula 2 are smaller than those of the other two methods, and the results of shell models with welds are the largest. Under the same local mesh density, the extrapolated hot spot stress decreases gradually with the increase of the number of layers in the thickness direction of the main plate, and the variation range is within 7.5%.

Exploratory analysis of the potential relationship between urinary molybdenum and bone mineral density among adult men and women from NHANES 2007-2010.

PubMed

Lewis, Ryan C; Johns, Lauren E; Meeker, John D

2016-12-01

Human exposure to molybdenum (Mo) may play a role in reducing bone mineral density (BMD) by interfering with steroid sex hormone levels. To begin to address gaps in the literature on this topic, the potential relationship between urinary Mo (U-Mo) and BMD at the femoral neck (FN-BMD) and lumbar spine (LS-BMD) was explored in a sample of 1496 adults participating in the 2007-2010 cycles of the National Health and Nutrition Examination Survey. Associations were assessed using multiple linear regression models stratified on sex and age. In adjusted models for 50-80+ year-old women, there was a statistically significant inverse relationship between natural log-U-Mo and LS-BMD (p-value: 0.002), and a statistically significant dose-dependent decrease in LS-BMD with increasing U-Mo quartiles (trend p-value: 0.002). A suggestive (trend p-value: 0.08), dose-dependent decrease in FN-BMD with increasing U-Mo quartiles was noted in this group of women as well. All other adjusted models revealed no statistically significant or suggestive relationships between U-Mo and FN-BMD or LS-BMD. Bone health is important for overall human health and well-being and, given the exploratory nature of this work, additional studies are needed to confirm the results in other populations, and clarify the potential underlying mechanisms of Mo on BMD. Copyright © 2016 Elsevier Ltd. All rights reserved.

Modeling delamination growth in composites

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

Reedy, E.D. Jr.; Mello, F.J.

1996-12-01

A method for modeling the initiation and growth of discrete delaminations in shell-like composite structures is presented. The laminate is divided into two or more sublaminates, with each sublaminate modeled with four-noded quadrilateral shell elements. A special, eight-noded hex constraint element connects opposing sublaminate shell elements. It supplies the nodal forces and moments needed to make the two opposing shell elements act as a single shell element until a prescribed failure criterion is satisfied. Once the failure criterion is attained, the connection is broken, creating or growing a discrete delamination. This approach has been implemented in a 3D finite elementmore » code. This code uses explicit time integration, and can analyze shell-like structures subjected to large deformations and complex contact conditions. The shell elements can use existing composite material models that include in-plane laminate failure modes. This analysis capability was developed to perform crashworthiness studies of composite structures, and is useful whenever there is a need to estimate peak loads, energy absorption, or the final shape of a highly deformed composite structure. This paper describes the eight-noded hex constraint element used to model the initiation and growth of a delamination, and discusses associated implementation issues. Particular attention is focused on the delamination growth criterion, and it is verified that calculated results do not depend on element size. In addition, results for double cantilever beam and end notched flexure specimens are presented and compared to measured data to assess the ability of the present approach to model a growing delamination.« less

Evaluating models of healthcare delivery using the Model of Care Evaluation Tool (MCET).

PubMed

Hudspeth, Randall S; Vogt, Marjorie; Wysocki, Ken; Pittman, Oralea; Smith, Susan; Cooke, Cindy; Dello Stritto, Rita; Hoyt, Karen Sue; Merritt, T Jeanne

2016-08-01

Our aim was to provide the outcome of a structured Model of Care (MoC) Evaluation Tool (MCET), developed by an FAANP Best-practices Workgroup, that can be used to guide the evaluation of existing MoCs being considered for use in clinical practice. Multiple MoCs are available, but deciding which model of health care delivery to use can be confusing. This five-component tool provides a structured assessment approach to model selection and has universal application. A literature review using CINAHL, PubMed, Ovid, and EBSCO was conducted. The MCET evaluation process includes five sequential components with a feedback loop from component 5 back to component 3 for reevaluation of any refinements. The components are as follows: (1) Background, (2) Selection of an MoC, (3) Implementation, (4) Evaluation, and (5) Sustainability and Future Refinement. This practical resource considers an evidence-based approach to use in determining the best model to implement based on need, stakeholder considerations, and feasibility. ©2015 American Association of Nurse Practitioners.

Computational investigation of longitudinal diffusion, eddy dispersion, and trans-particle mass transfer in bulk, random packings of core-shell particles with varied shell thickness and shell diffusion coefficient.

PubMed

Daneyko, Anton; Hlushkou, Dzmitry; Baranau, Vasili; Khirevich, Siarhei; Seidel-Morgenstern, Andreas; Tallarek, Ulrich

2015-08-14

In recent years, chromatographic columns packed with core-shell particles have been widely used for efficient and fast separations at comparatively low operating pressure. However, the influence of the porous shell properties on the mass transfer kinetics in core-shell packings is still not fully understood. We report on results obtained with a modeling approach to simulate three-dimensional advective-diffusive transport in bulk random packings of monosized core-shell particles, covering a range of reduced mobile phase flow velocities from 0.5 up to 1000. The impact of the effective diffusivity of analyte molecules in the porous shell and the shell thickness on the resulting plate height was investigated. An extension of Giddings' theory of coupled eddy dispersion to account for retention of analyte molecules due to stagnant regions in porous shells with zero mobile phase flow velocity is presented. The plate height equation involving a modified eddy dispersion term excellently describes simulated data obtained for particle-packings with varied shell thickness and shell diffusion coefficient. It is confirmed that the model of trans-particle mass transfer resistance of core-shell particles by Kaczmarski and Guiochon [42] is applicable up to a constant factor. We analyze individual contributions to the plate height from different mass transfer mechanisms in dependence of the shell parameters. The simulations demonstrate that a reduction of plate height in packings of core-shell relative to fully porous particles arises mainly due to reduced trans-particle mass transfer resistance and transchannel eddy dispersion. Copyright © 2015 Elsevier B.V. All rights reserved.

Nonlinear Response and Residual Strength of Damaged Stiffened Shells Subjected to Combined Loads

NASA Technical Reports Server (NTRS)

Starnes, James H., Jr.; Britt, Vicki O.; Rose, Cheryl A.; Rankin, Charles C.

1996-01-01

The results of an analytical study of the nonlinear response of stiffened fuselage shells with long cracks are presented. The shells are modeled with a hierarchical modeling strategy and analyzed with a nonlinear shell analysis code that maintains the shell in a nonlinear equilibrium state while the crack is grown. The analysis accurately accounts for global and local structural response phenomena. Fuselage skins, frames stringers and failsafe straps are included in the models. Results are presented for various combinations of internal pressure and mechanical bending, vertical shear and torsion loads, and the effects of crack orientation and location on the shell response are described. These results indicate that the nonlinear interaction between the in-plane stress resultants and the out-of-plane displacements near a crack can significantly affect the structural response of the shell, and the stress-intensity factors associated with a crack that are used to predict residual strength. The effects of representative combined loading conditions on the stress-intensity factors associated with a crack are presented. The effects of varying structural parameters on the stress-intensity factors associated with a crack, and on self-similar and non-self-similar crack-growth are also presented.

van der Waals three-body force shell model (VTSM) for the lattice dynamical studies of thallous bromide

NASA Astrophysics Data System (ADS)

Tiwari, Sarvesh K.; Pandey, L. K.; Shukla, Lal Ji; Upadhyaya, K. S.

2009-12-01

The van der Waals three-body force shell model (VTSM) has been developed by modifying the three-body force shell model (TSM) for the lattice dynamics of ionic crystals with cesium chloride (CsCl) structure. This new model incorporates van der Waals interactions along with long-range Coulomb interactions, three-body interactions and short-range second neighbour interactions in the framework of a rigid shell model (RSM). In the present paper, VTSM has been used to study the lattice dynamics of thallous bromide (TlBr), from which adequacy of VTSM has been established. A comparative study of the dynamical behaviour of TlBr has also been done between the present model and TSM, the model over which modification has been made to obtain the present model VTSM. Good agreement has been observed between the theoretical and experimental results, which give confidence that it is an appropriate model for the complete description of ionic crystals with CsCl structure.

Izmir Turkey, Cigli AB. Revised Uniform Summary of Surface Weather Observations (RUSSWO). Parts A-F

DTIC Science & Technology

1968-01-06

6 30/ 29 4 26/ 25 1 rOTAL .3 50l 7.8 9.4 1.71.1.010.5 0.0 9.4 8.8 6.3 , 9 3.0 1..J.4 . .o 9506 9505 9505 9505 (’ z -- I-i ____ x o b.Mo N.o or it...30166505 406 [ 9j 182 4 1 8025 ’ 9505 I S0F 532F 67 73F O 9o o Dlu~b 55140684 T1B2-4 T5.6 9.539 9506 585.1 438.6 260.8 21.9 720.0 et V91b 38859187 605683 1...63.7 5. 1 66 9505 217.3 28.6 2.7 0 * Nwo;t 29882649 529393 1 55.7 6.467 9505 .8 7. 2 .4 6TOE O -• - -_ - -- - - - - - - - - - - - - * f- " DATA

Thermal stability of intermetallic phases in Fe-rich Fe-Cr-Ni-Mo alloys

DOE PAGES

Yang, Ying; Tan, Lizhen; Busby, Jeremy T.

2015-06-12

Understanding the stability of precipitate phases in the Fe-rich Fe-Cr-Ni-Mo alloys is critical to the alloy design and application of Mo-containing Austenitic steels. Coupled with thermodynamic modeling, stability of the chi and Laves phases in two Fe-Cr-Ni-Mo alloys were investigated at 1000, 850 and 700 °C for different annealing time. The morphologies, compositions and crystal structures of the matrix and precipitate phases were carefully examined by Scanning Electron Microscopy, Electron Probe Microanalysis, X-ray diffraction and Transmission Electron Microscopy. The two key findings resulted from this work. One is that the chi phase is stable at high temperature and transformed intomore » the Laves phase at low temperature. The other is that both the chi and Laves phases have large solubilites of Cr, Mo and Ni, among which the Mo solubility has a major role on the relative stability of the precipitate phases. The developed thermodynamic models were then applied to evaluating the Mo effect on the stability of precipitate phases in AISI 316 and NF709 alloys.« less

Variations of Contact Resistance in Dual-Gated Monolayer Molybdenum Disulfide Transistors Depending on Gate Bias Selection

NASA Astrophysics Data System (ADS)

Tran, P. X.

2017-06-01

Monolayer molybdenum disulfide (MoS2) is considered an alternative two-dimensional material for high performance ultra-thin field-effect transistors. MoS2 is a triple atomic layer with a direct 1.8 eV bandgap. Bulk MoS2 has an additional indirect bandgap of 1.2 eV, which leads to high current on/off ratio around 108. Flakes of MoS2 can be obtained by mechanical exfoliation or grown by chemical vapor deposition. Intrinsic cut-off frequency of multilayer MoS2 transistor has reached 42 GHz. Chemical doping of MoS2 is challenging and results in reduction of contact resistance. This paper focuses on modeling of dual-gated monolayer MoS2 transistors with effective mobility of carriers varying from 0.6 cm2/V s to 750 cm2/V s. In agreement with experimental data, the model demonstrates that in back-gate bias devices, the contact resistance decreases almost exponentially with increasing gate bias, whereas in top-gate bias devices, the contact resistance stays invariant when varying gate bias.

Growth Mechanism of Transition Metal Dichalcogenide Monolayers: The Role of Self-Seeding Fullerene Nuclei.

PubMed

Cain, Jeffrey D; Shi, Fengyuan; Wu, Jinsong; Dravid, Vinayak P

2016-05-24

Due to their unique optoelectronic properties and potential for next generation devices, monolayer transition metal dichalcogenides (TMDs) have attracted a great deal of interest since the first observation of monolayer MoS2 a few years ago. While initially isolated in monolayer form by mechanical exfoliation, the field has evolved to more sophisticated methods capable of direct growth of large-area monolayer TMDs. Chemical vapor deposition (CVD) is the technique used most prominently throughout the literature and is based on the sulfurization of transition metal oxide precursors. CVD-grown monolayers exhibit excellent quality, and this process is widely used in studies ranging from the fundamental to the applied. However, little is known about the specifics of the nucleation and growth mechanisms occurring during the CVD process. In this study, we have investigated the nucleation centers or "seeds" from which monolayer TMDs typically grow. This was accomplished using aberration-corrected scanning transmission electron microscopy to analyze the structure and composition of the nuclei present in CVD-grown MoS2-MoSe2 alloys. We find that monolayer growth proceeds from nominally oxi-chalcogenide nanoparticles which act as heterogeneous nucleation sites for monolayer growth. The oxi-chalcogenide nanoparticles are typically encased in a fullerene-like shell made of the TMD. Using this information, we propose a step-by-step nucleation and growth mechanism for monolayer TMDs. Understanding this mechanism may pave the way for precise control over the synthesis of 2D materials, heterostructures, and related complexes.

Experimental study of the electric dipole strength in the even Mo nuclei and its deformation dependence

NASA Astrophysics Data System (ADS)

Erhard, M.; Junghans, A. R.; Nair, C.; Schwengner, R.; Beyer, R.; Klug, J.; Kosev, K.; Wagner, A.; Grosse, E.

2010-03-01

Two methods based on bremsstrahlung were applied to the stable even Mo isotopes for the experimental determination of the photon strength function covering the high excitation energy range above 4 MeV with its increasing level density. Photon scattering was used up to the neutron separation energies Sn and data up to the maximum of the isovector giant resonance (GDR) were obtained by photoactivation. After a proper correction for multistep processes the observed quasicontinuous spectra of scattered photons show a remarkably good match to the photon strengths derived from nuclear photoeffect data obtained previously by neutron detection and corrected in absolute scale by using the new activation results. The combined data form an excellent basis to derive a shape dependence of the E1 strength in the even Mo isotopes with increasing deviation from the N=50 neutron shell (i.e., with the impact of quadrupole deformation and triaxiality). The wide energy coverage of the data allows for a stringent assessment of the dipole sum rule and a test of a novel parametrization developed previously which is based on it. This parametrization for the electric dipole strength function in nuclei with A>80 deviates significantly from prescriptions generally used previously. In astrophysical network calculations it may help to quantify the role the p-process plays in cosmic nucleosynthesis. It also has impact on the accurate analysis of neutron capture data of importance for future nuclear energy systems and waste transmutation.

SYMPLECTIC INVARIANTS AND FLOWERS' CLASSIFICATION OF SHELL MODEL STATES

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

Helmers, K.

1961-01-01

Flowers has given a classification of shell model states in j-j coupling for a fixed number of nucleons in a shell with respect to a symplectic group. The relation between these classifications for the various nucleon numbers is studied and is found to be governed by another symplectic group, the transformations of which in general change the nucleon number. (auth)

Charge symmetry breaking in light Λ hypernuclei

NASA Astrophysics Data System (ADS)

Gal, Avraham; Gazda, Daniel

2018-02-01

Charge symmetry breaking (CSB) is particularly strong in the A = 4 mirror hypernuclei {}14\\text{H}-Λ 4\\text{He}. Recent four-body no-core shell model calculations that confront this CSB by introducing Λ-Σ0 mixing to leading-order chiral effective field theory hyperon-nucleon potentials are reviewed, and a shell-model approach to CSB in p-shell Λ hypernuclei is outlined.

Applicability of the Continuum-Shell Theories to the Mechanics of Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Harik, V. M.; Gates, T. S.; Nemeth, M. P.

2002-01-01

Validity of the assumptions relating the applicability of continuum shell theories to the global mechanical behavior of carbon nanotubes is examined. The present study focuses on providing a basis that can be used to qualitatively assess the appropriateness of continuum-shell models for nanotubes. To address the effect of nanotube structure on their deformation, all nanotube geometries are divided into four major classes that require distinct models. Criteria for the applicability of continuum models are presented. The key parameters that control the buckling strains and deformation modes of these classes of nanotubes are determined. In an analogy with continuum mechanics, mechanical laws of geometric similitude are presented. A parametric map is constructed for a variety of nanotube geometries as a guide for the applicability of different models. The continuum assumptions made in representing a nanotube as a homogeneous thin shell are analyzed to identify possible limitations of applying shell theories and using their bifurcation-buckling equations at the nano-scale.

Projected shell model study on nuclei near the N = Z line

NASA Astrophysics Data System (ADS)

Sun, Y.

2003-04-01

Study of the N ≈ Z nuclei in the mass-80 region is not only interesting due to the existence of abundant nuclear-structure phenomena, but also important in understanding the nucleosynthesis in the rp-process. It is difficult to apply a conventional shell model due to the necessary involvement of the g 9/2 sub-shell. In this paper, the projected shell model is introduced to this study. Calculations are systematically performed for the collective levels as well as the quasi-particle excitations. It is demonstrated that calculations with this truncation scheme can achieve a comparable quality as the large-scale shell model diagonalizations for 48 Cr, but the present method can be applied to much heavier mass regions. While the known experimental data of the yrast bands in the N ≈ Z nuclei (from Se to Ru) are reasonably described, the present calculations predict the existence of high- K states, some of which lie low in energy under certain structure conditions.

Detonation models of fast combustion waves in nanoscale Al-MoO3 bulk powder media

NASA Astrophysics Data System (ADS)

Shaw, Benjamin D.; Pantoya, Michelle L.; Dikici, Birce

2013-02-01

The combustion of nanometric aluminum (Al) powder with an oxidiser such as molybdenum trioxide (MoO3) is studied analytically. This study focuses on detonation wave models and a Chapman-Jouget detonation model provides reasonable agreement with experimentally-observed wave speeds provided that multiphase equilibrium sound speeds are applied at the downstream edge of the detonation wave. The results indicate that equilibrium sound speeds of multiphase mixtures can play a critical role in determining speeds of fast combustion waves in nanoscale Al-MoO3 powder mixtures.

Statistical mechanics of shell models for two-dimensional turbulence

NASA Astrophysics Data System (ADS)

Aurell, E.; Boffetta, G.; Crisanti, A.; Frick, P.; Paladin, G.; Vulpiani, A.

1994-12-01

We study shell models that conserve the analogs of energy and enstrophy and hence are designed to mimic fluid turbulence in two-dimensions (2D). The main result is that the observed state is well described as a formal statistical equilibrium, closely analogous to the approach to two-dimensional ideal hydrodynamics of Onsager [Nuovo Cimento Suppl. 6, 279 (1949)], Hopf [J. Rat. Mech. Anal. 1, 87 (1952)], and Lee [Q. Appl. Math. 10, 69 (1952)]. In the presence of forcing and dissipation we observe a forward flux of enstrophy and a backward flux of energy. These fluxes can be understood as mean diffusive drifts from a source to two sinks in a system which is close to local equilibrium with Lagrange multipliers (``shell temperatures'') changing slowly with scale. This is clear evidence that the simplest shell models are not adequate to reproduce the main features of two-dimensional turbulence. The dimensional predictions on the power spectra from a supposed forward cascade of enstrophy and from one branch of the formal statistical equilibrium coincide in these shell models in contrast to the corresponding predictions for the Navier-Stokes and Euler equations in 2D. This coincidence has previously led to the mistaken conclusion that shell models exhibit a forward cascade of enstrophy. We also study the dynamical properties of the models and the growth of perturbations.

Origin discrimination of defatted pork via trace elements profiling, stable isotope ratios analysis, and multivariate statistical techniques.

PubMed

Park, Yu Min; Lee, Cheong Mi; Hong, Joon Ho; Jamila, Nargis; Khan, Naeem; Jung, Jong-Hyun; Jung, Young-Chul; Kim, Kyong Su

2018-09-01

This study verified the origin of 346 defatted Korean and non-Korean pork samples via trace elements profiling, and C and N stable isotope ratios analysis. The analyzed elements were 6 Li, 7 Li, 10 B, 11 B, 51 V , 50 Cr, 52 Cr, 53 Cr, 55 Mn, 58 Ni, 60 Ni, 59 Co, 63 Cu, 65 Cu, 64 Zn, 66 Zn, 69 Ga, 71 Ga, 75 As, 82 Se, 84 Sr, 86 Sr, 87 Sr, 88 Sr, 85 Rb, 94 Mo, 95 Mo, 97 Mo, 107 Ag, 109 Ag, 110 Cd, 111 Cd, 113 Cd, 112 Cd, 114 Cd, 116 Cd, 133 Cs, 206 Pb, 207 Pb, and 208 Pb. Content (mg/kg) of 51 V (0.012), 50 Cr (0.882), 75 As (0.017), 85 Rb (57.7), and 87 Sr (46.3) were high in Korean pork samples whereas 6 Li, 7 Li, 59 Co, 55 Mn, 58 Ni, 84 Sr, 86 Sr, 88 Sr, 111 Cd, and 133 Cs were found higher in non-Korean samples. The results of discriminant analysis showed that the trace elements content and stable isotope ratios were significant for the discrimination of geographical origins with a perfect discrimination rate of 100%. Copyright © 2018 Elsevier Ltd. All rights reserved.

Modifications of W and Mo leading edges under plasma loads in DIII-D divertor

NASA Astrophysics Data System (ADS)

Rudakov, D. L.; Bykov, I.; Moyer, R. A.; Abrams, T.; Chrobak, C. P.; Guo, H. Y.; Stahl, B.; Thomas, D. M.; Barton, J. L.; Nygren, R. E.; Watkins, J. G.; Lasnier, C. J.; Litnovsky, Andrey; Stangeby, P. C.; Unterberg, E. A.

2017-10-01

Cracking and melting of W and Mo leading edges were observed in the lower divertor of DIII-D during experiments with intentionally misaligned W monoblocks (MBs) and in the course of the Metal Rings Campaign involving W-coated Mo tile inserts (TIs). MBs were exposed near the attached outer strike point during deuterium and helium L- and H-mode discharges using DiMES. Two of the MBs were misaligned by 0.3 mm and 1 mm, forming leading edges. Particulate ejection from a 1 mm leading edge was observed during the exposure, and evidence of melting and cracking was found post mortem. Two toroidal rings of TIs were installed in the lower outer divertor, the inner one at the floor and the outer one at the shelf. The floor TIs bowed during plasma exposure forming leading edges up to 1.2 mm high; about 40% of these edges experienced melting. Re-solidified melt layers up to 1 mm thick were observed, their shape being consistent with motion in the jx B direction with j driven by electron emission. Work supported by US DOE under DE-FC02-04ER54698, DE-FG02-07ER54917, DE-AC04-94AL85000, DE-AC52-07NA27344, and DE-AC05-00OR22725.

Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Shi, Wenwu; Wang, Zhiguo

2018-05-01

The mechanical and electronic properties of Janus monolayer transition metal dichalcogenides MXY (M  =  Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W; X/Y  =  S, Se, Te) were investigated using density functional theory. Results show that breaking the out-of-plane structural symmetry can be used to tune the electronic and mechanical behavior of monolayer transition metal dichalcogenides. The band gaps of monolayer WXY and MoXY are in the ranges of 0.16–1.91 and 0.94–1.69 eV, respectively. A semiconductor to metallic phase transition occurred in Janus monolayer MXY (M  =  Ti, Zr and Hf). The monolayers MXY (M  =  V, Nb, Ta and Cr) show metallic characteristics, which show no dependence on the structural symmetry breaking. The mechanical properties of MXY depended on the composition. Monolayer MXY (M  =  Mo, Ti, Zr, Hf and W) showed brittle characteristic, whereas monolayer CrXY and VXY are with ductile characteristic. The in-plane stiffness of pristine and Janus monolayer MXY are in the range between 22 and 158 N m‑1. The tunable electronic and mechanical properties of these 2D materials would advance the development of ultra-sensitive detectors, nanogenerators, low-power electronics, and energy harvesting and electromechanical systems.

Transmission-blocking activity is determined by transmission-reducing activity and number of control oocysts in Plasmodium falciparum standard membrane-feeding assay.

PubMed

Miura, Kazutoyo; Swihart, Bruce J; Deng, Bingbing; Zhou, Luwen; Pham, Thao P; Diouf, Ababacar; Burton, Timothy; Fay, Michael P; Long, Carole A

2016-07-29

Malaria transmission-blocking vaccines (TBVs) are potentially helpful tools for malaria eradication. The standard membrane-feeding assay (SMFA) is considered one of the "gold standard" assays for TBV development. However, lack of consensus in reporting results from SMFA has made it very challenging to compare results from different studies. Two main readouts, % inhibition in mean oocyst count per mosquito (TRA) and % inhibition in prevalence of infected mosquitoes (TBA), have been used widely. In this study, we statistically modeled the oocyst data in SMFA using data from 105 independent feeding experiments including 9804 mosquitoes. The model was validated using an independent data set that included 10,790 mosquitoes from 110 feeding studies. The model delineates a relationship between TRA, the mean oocyst count in the control mosquitoes (mo-contl), and TBA. While TRA was independent from mo-contl, TBA values changed depending on mo-contl. Regardless of monoclonal or polyclonal antibodies tested, there were strong concordances between observed TBA and predicted TBA based on the model using mo-contl and observed TRA. Simulations showed that SMFA with lower true control means had increased uncertainty in TRA estimates. The strong linkage between TBA, TRA and mo-contl inspired creation of a standardized TBA, a model-based TBA standardized to a target control mean, which allows comparison across multiple feeds regardless of mo-contl. This is the first study showing that the observed TBA can be reasonably predicted by mo-contl and the TRA of the test antibody using independent experimental data. This study indicates that TRA should be used to compare results from multiple feeds with different levels of mo-contl. If a measure of TBA is desired, it is better to report standardized TBA rather than observed TBA. These recommendations support rational comparisons of results from different studies, thus benefiting future TBV development. Published by Elsevier Ltd.

Transmission-blocking activity is determined by transmission-reducing activity and number of control oocysts in Plasmodium falciparum standard membrane-feeding assay

PubMed Central

Deng, Bingbing; Zhou, Luwen; Pham, Thao P.; Diouf, Ababacar; Burton, Timothy; Fay, Michael P.; Long, Carole A.

2016-01-01

Malaria transmission-blocking vaccines (TBVs) are potentially helpful tools for malaria eradication. The standard membrane-feeding assay (SMFA) is considered one of the “gold standard” assays for TBV development. However, lack of consensus in reporting results from SMFA has made it very challenging to compare results from different studies. Two main readouts, % inhibition in mean oocyst count per mosquito (TRA) and % inhibition in prevalence of infected mosquitoes (TBA), have been used widely. In this study, we statistically modeled the oocyst data in SMFA using data from 105 independent feeding experiments including 9,804 mosquitoes. The model was validated using an independent data set that included 10,790 mosquitoes from 110 feeding studies. The model delineates a relationship between TRA, the mean oocyst count in the control mosquitoes (mo-contl), and TBA. While TRA was independent from mo-contl, TBA values changed depending on mo-contl. Regardless of monoclonal or polyclonal antibodies tested, there were strong concordances between observed TBA and predicted TBA based on the model using mo-contl and observed TRA. Simulations showed that SMFA with lower true control means had increased uncertainty in TRA estimates. The strong linkage between TBA, TRA and mo-contl inspired creation of a standardized TBA, a model-based TBA standardized to a target control mean, which allows comparison across multiple feeds regardless of mo-contl. This is the first study showing that the observed TBA can be reasonably predicted by mo-contl and the TRA of the test antibody using independent experimental data. This study indicates that TRA should be used to compare results from multiple feeds with different levels of mo-contl. If a measure of TBA is desired, it is better to report standardized TBA rather than observed TBA. These recommendations support rational comparisons of results from different studies, thus benefiting future TBV development. PMID:27372156

Evaluation of Toxic, Cytotoxic, Mutagenic, and Antimutagenic Activities of Natural and Technical Cashew Nut Shell Liquids Using the Allium cepa and Artemia salina Bioassays

PubMed Central

Leite, Aracelli de Sousa; Oliveira, George Laylson da Silva; Gomes Júnior, Antonio L.; de Lima, Sidney Gonçalo; Citó, Antônia Maria das Graças Lopes; de Freitas, Rivelilson M.; Melo-Cavalcante, Ana Amélia de C.; Dantas Lopes, José Arimateia

2015-01-01

The cashew nut releases a substance that is known as cashew nut shell liquid (CNSL). There are both natural (iCNSL) and technical (tCNSL) cashew nut shell liquids. This study used an Artemia salina bioassay to evaluate the toxic effects of iCNSL and tCNSL cashew nut shell liquids. It also evaluated the toxicity, cytotoxicity, and mutagenicity of CNSL and its effects on the damage induced by copper sulfate (CuSO4·5H2O) on the meristems' root of Allium cepa. Effects of the damage induced by CuSO4·5H2O were evaluated before (pre-), during (co-), and after (post-) treatments. The iCNSL contained 94.5% anacardic acid, and the tCNSL contained 91.3% cardanol. The liquids were toxic to A. salina. Toxicity, cytotoxicity, and mutagenicity were observed with iCNSL compared with the negative control. Similarly, iCNSL failed to inhibit the toxicity and cytotoxicity of CuSO4·5H2O. The tCNSL was not toxic, cytotoxic, or mutagenic in any of the concentrations. However, the lowest iCNSL concentrations and all of the tCNSL concentrations had preventive, antimutagenic, and reparative effects on micronuclei and on chromosomal aberrations in the A. cepa. Therefore, protective, modulating, and reparative effects may be observed in the A. cepa, depending on the concentration and type of CNSL used. PMID:25861638

Evaluation of toxic, cytotoxic, mutagenic, and antimutagenic activities of natural and technical cashew nut shell liquids using the Allium cepa and Artemia salina bioassays.

PubMed

Leite, Aracelli de Sousa; Dantas, Alisson Ferreira; Oliveira, George Laylson da Silva; Gomes Júnior, Antonio L; de Lima, Sidney Gonçalo; Citó, Antônia Maria das Graças Lopes; de Freitas, Rivelilson M; Melo-Cavalcante, Ana Amélia de C; Dantas Lopes, José Arimateia

2015-01-01

The cashew nut releases a substance that is known as cashew nut shell liquid (CNSL). There are both natural (iCNSL) and technical (tCNSL) cashew nut shell liquids. This study used an Artemia salina bioassay to evaluate the toxic effects of iCNSL and tCNSL cashew nut shell liquids. It also evaluated the toxicity, cytotoxicity, and mutagenicity of CNSL and its effects on the damage induced by copper sulfate (CuSO4·5H2O) on the meristems' root of Allium cepa. Effects of the damage induced by CuSO4·5H2O were evaluated before (pre-), during (co-), and after (post-) treatments. The iCNSL contained 94.5% anacardic acid, and the tCNSL contained 91.3% cardanol. The liquids were toxic to A. salina. Toxicity, cytotoxicity, and mutagenicity were observed with iCNSL compared with the negative control. Similarly, iCNSL failed to inhibit the toxicity and cytotoxicity of CuSO4·5H2O. The tCNSL was not toxic, cytotoxic, or mutagenic in any of the concentrations. However, the lowest iCNSL concentrations and all of the tCNSL concentrations had preventive, antimutagenic, and reparative effects on micronuclei and on chromosomal aberrations in the A. cepa. Therefore, protective, modulating, and reparative effects may be observed in the A. cepa, depending on the concentration and type of CNSL used.

Inner-shell chemical shift of DNA/RNA bases and inheritance from their parent purine and pyrimidine.

PubMed

Wang, Feng; Zhu, Quan; Ivanova, Elena

2008-11-01

Inner-shell electronic structures, properties and ionization spectra of DNA/RNA bases are studied with respect to their parent pyrimidine and purine species. Density functional theory B3LYP/aug-cc-pVTZ has been employed to produce the geometries of the bases, whereas LB94/et-pVQZ//B3LYP/aug-cc-pVTZ is used to calculate site-related Hirshfeld charges and core (vertical) ionization energies, as well as inner-shell spectra of C1s, N1s and O1s for DNA/RNA bases and their parent pyrimidine and purine species. The site-dependent variations of properties indicate the changes and inheritance of chemical environment when pyrimidine and purine become substituted. In general, although the changes are site-dependent, they are also ring-dependent. Pyrimidine bases change less significantly with respect to their parent pyrimidine than the purine bases with respect to their parent purine. Pyrimidine bases such as uracil, thymine and cytosine inherit certain properties from their parent pyrimidine, such as the Hirshfeld charge distributions and the order of core ionization energy level etc. No particular sites in the pyrimidine derivatives are engaged with a dramatic chemical shift nor with energy crossings to other sites. For the core shell spectra, the purine bases inherit very little from their parent purine, and guanine exhibits the least similarities to the parent among all the DNA/RNA bases.

Structural models of inorganic fullerene-like structures

NASA Astrophysics Data System (ADS)

Ascencio, J. A.; Perez-Alvarez, M.; Molina, L. M.; Santiago, P.; José-Yacaman, M.

2003-03-01

In the study of fullerene-like structures, some of the more interesting systems are the inorganic cages, made of MoS 2 (usually named inorganic fullerenes), which have many important potential applications as lubricant and catalysts. In the present work, we report calculations for structural models of closed cage of inorganic fullerene-like structures for MoS 2 system. Three cage shapes were found to be the most stable: triangular pyramid, octahedron and dodecahedron. High resolution TEM images of MoS 2 cages structures were calculated to be compared with experimental data. Some examples of triangular pyramid and polyhedron in experimental MoS 2 samples are presented.

Molybdenum isotope fractionation during acid leaching of a granitic uranium ore

NASA Astrophysics Data System (ADS)

Migeon, Valérie; Bourdon, Bernard; Pili, Eric; Fitoussi, Caroline

2018-06-01

As an attempt to prevent illicit trafficking of nuclear materials, it is critical to identify the origin and transformation of uranium materials from the nuclear fuel cycle based on chemical and isotope tracers. The potential of molybdenum (Mo) isotopes as tracers is considered in this study. We focused on leaching, the first industrial process used to release uranium from ores, which is also known to extract Mo depending on chemical conditions. Batch experiments were performed in the laboratory with pH ranging from 0.3 to 5.5 in sulfuric acid. In order to span a large range in uranium and molybdenum yields, oxidizers such as nitric acid, hydrogen peroxide and manganese dioxide were also added. An enrichment in heavy Mo isotopes is produced in the solution during leaching of a granitic uranium ore, when Mo recovery is not quantitative. At least two Mo reservoirs were identified in the ore: ∼40% as Mo oxides soluble in water or sulfuric acid, and ∼40% of Mo hosted in sulfides soluble in nitric acid or hydrogen peroxide. At pH > 1.8, adsorption and/or precipitation processes induce a decrease in Mo yields with time correlated with large Mo isotope fractionations. Quantitative models were used to evaluate the relative importance of the processes involved in Mo isotope fractionation: dissolution, adsorption, desorption, precipitation, polymerization and depolymerization. Model best fits are obtained when combining the effects of dissolution/precipitation, and adsorption/desorption onto secondary minerals. These processes are inferred to produce an equilibrium isotope fractionation, with an enrichment in heavy Mo isotopes in the liquid phase and in light isotopes in the solid phase. Quantification of Mo isotope fractionation resulting from uranium leaching is thus a promising tool to trace the origin and transformation of nuclear materials. Our observations of Mo leaching are also consistent with observations of natural Mo isotope fractionation taking place during chemical weathering in terrestrial environments where the role of secondary processes such as adsorption is significant.

Modeling of thin-walled structures interacting with acoustic media as constrained two-dimensional continua

NASA Astrophysics Data System (ADS)

Rabinskiy, L. N.; Zhavoronok, S. I.

2018-04-01

The transient interaction of acoustic media and elastic shells is considered on the basis of the transition function approach. The three-dimensional hyperbolic initial boundary-value problem is reduced to a two-dimensional problem of shell theory with integral operators approximating the acoustic medium effect on the shell dynamics. The kernels of these integral operators are determined by the elementary solution of the problem of acoustic waves diffraction at a rigid obstacle with the same boundary shape as the wetted shell surface. The closed-form elementary solution for arbitrary convex obstacles can be obtained at the initial interaction stages on the background of the so-called “thin layer hypothesis”. Thus, the shell–wave interaction model defined by integro-differential dynamic equations with analytically determined kernels of integral operators becomes hence two-dimensional but nonlocal in time. On the other hand, the initial interaction stage results in localized dynamic loadings and consequently in complex strain and stress states that require higher-order shell theories. Here the modified theory of I.N.Vekua–A.A.Amosov-type is formulated in terms of analytical continuum dynamics. The shell model is constructed on a two-dimensional manifold within a set of field variables, Lagrangian density, and constraint equations following from the boundary conditions “shifted” from the shell faces to its base surface. Such an approach allows one to construct consistent low-order shell models within a unified formal hierarchy. The equations of the N th-order shell theory are singularly perturbed and contain second-order partial derivatives with respect to time and surface coordinates whereas the numerical integration of systems of first-order equations is more efficient. Such systems can be obtained as Hamilton–de Donder–Weyl-type equations for the Lagrangian dynamical system. The Hamiltonian formulation of the elementary N th-order shell theory is here briefly described.

Shear effects on energy dissipation from an elastic beam on a rigid foundation

DOE PAGES

Brink, Adam Ray; Quinn, D. Dane

2015-10-20

This paper describes the energy dissipation arising from microslip for an elastic shell incorporating shear and longitudinal deformation resting on a rough-rigid foundation. This phenomenon is investigated using finite element (FE) analysis and nonlinear geometrically exact shell theory. Both approaches illustrate the effect of shear within the shell and observe a reduction in the energy dissipated from microslip as compared to a similar system neglecting shear deformation. In particular, it is found that the shear deformation allows for load to be transmitted beyond the region of slip so that the entire interface contributes to the load carrying capability of themore » shell. The energy dissipation resulting from the shell model is shown to agree well with that arising from the FE model, and this representation can be used as a basis for reduced order models that capture the microslip phenomenon.« less

Core excitations across the neutron shell gap in 207Tl

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

Wilson, E.; Podolyák, Zs.; Grawe, H.

2015-05-05

The single closed-neutron-shell, one proton–hole nucleus 207Tl was populated in deep-inelastic collisions of a 208Pb beam with a 208Pb target. The yrast and near-yrast level scheme has been established up to high excitation energy, comprising an octupole phonon state and a large number of core excited states. Based on shell-model calculations, all observed single core excitations were established to arise from the breaking of the N=126 neutron core. While the shell-model calculations correctly predict the ordering of these states, their energies are compressed at high spins. It is concluded that this compression is an intrinsic feature of shell-model calculations usingmore » two-body matrix elements developed for the description of two-body states, and that multiple core excitations need to be considered in order to accurately calculate the energy spacings of the predominantly three-quasiparticle states.« less

New Tooling System for Forming Aluminum Beverage Can End Shell

NASA Astrophysics Data System (ADS)

Yamazaki, Koetsu; Otsuka, Takayasu; Han, Jing; Hasegawa, Takashi; Shirasawa, Taketo

2011-08-01

This paper proposes a new tooling system for forming shells of aluminum beverage can ends. At first, forming process of a conversional tooling system has been simulated using three-dimensional finite element models. Simulation results have been confirmed to be consistent with those of axisymmetric models, so simulations for further study have been performed using axisymmetric models to save computational time. A comparison shows that thinning of the shell formed by the proposed tooling system has been improved about 3.6%. Influences of the tool upmost surface profiles and tool initial positions in the new tooling system have been investigated and the design optimization method based on the numerical simulations has been then applied to search optimum design points, in order to minimize thinning subjected to the constraints of the geometrical dimensions of the shell. At last, the performance of the shell subjected to internal pressure has been confirmed to meet design requirements.

Comparison of performance of shell-and-tube heat exchangers with conventional segmental baffles and continuous helical baffle

NASA Astrophysics Data System (ADS)

Ahmed, Asif; Ferdous, Imam Ul.; Saha, Sumon

2017-06-01

In the present study, three-dimensional numerical simulation of two shell-and-tube heat exchangers (STHXs) with conventional segmental baffles (STHXsSB) and continuous helical baffle (STHXsHB) is carried out and a comparative study is performed based on the simulation results. Both of the STHXs contain 37 tubes inside a 500 mm long and 200 mm diameter shell and mass flow rate of shell-side fluid is varied from 0.5 kg/s to 2 kg/s. At first, physical and mathematical models are developed and numerically simulated using finite element method (FEM). For the validation of the computational model, shell-side average nusselt number (Nus) is calculated from the simulation results and compared with the available experimental results. The comparative study shows that STHXsHB has 72-127% higher heat transfer coefficient per unit pressure drop compared to the conventional STHXsSB for the same shell-side mass flow rate. Moreover, STHXsHB has 59-63% lower shell-side pressure drop than STHXsSB.

Capabilities of CdTe-Based Detectors With {mathrm {MoO}}_{x} Contacts for Detection of X- and gamma -Radiation

NASA Astrophysics Data System (ADS)

Maslyanchuk, O. L.; Solovan, M. M.; Brus, V. V.; Kulchynsky, V. V.; Maryanchuk, P. D.; Fodchuk, I. M.; Gnatyuk, V. A.; Aoki, T.; Potiriadis, C.; Kaissas, Y.

2017-05-01

The charge transport mechanism and spectrometric properties of the X-ray and γ-ray detectors, fabricated by the deposition of molybdenum oxide thin films onto semi-insulating p-CdTe crystals were studied. The current transport processes in the Mo-MoOx/p-CdTe/MoOx-Mo structure are well described in the scope of the carrier's generation in the space-charge region and the space-charge-limited current models. The lifetime of charge carriers, the energy of hole traps, and the density of discrete trapping centers were determined from the comparison of the experimental data and calculations. Spectrometric properties of Mo-MoOx/p-CdTe/MoOx-Mo structures were also investigated. It is shown that the investigated heterojunctions have demonstrated promising characteristics for practical application in X-ray and γ-ray detector fabrication.

Cenosphere formation from heavy fuel oil: a numerical analysis accounting for the balance between porous shells and internal pressure

NASA Astrophysics Data System (ADS)

Reddy, Vanteru M.; Rahman, Mustafa M.; Gandi, Appala N.; Elbaz, Ayman M.; Schrecengost, Robert A.; Roberts, William L.

2016-01-01

Heavy fuel oil (HFO) as a fuel in industrial and power generation plants ensures the availability of energy at economy. Coke and cenosphere emissions from HFO combustion need to be controlled by particulate control equipment such as electrostatic precipitators, and collection effectiveness is impacted by the properties of these particulates. The cenosphere formation is a function of HFO composition, which varies depending on the source of the HFO. Numerical modelling of the cenosphere formation mechanism presented in this paper is an economical method of characterising cenosphere formation potential for HFO in comparison to experimental analysis of individual HFO samples, leading to better control and collection. In the present work, a novel numerical model is developed for understanding the global cenosphere formation mechanism. The critical diameter of the cenosphere is modelled based on the balance between two pressures developed in an HFO droplet. First is the pressure (Prpf) developed at the interface of the liquid surface and the inner surface of the accumulated coke due to the flow restriction of volatile components from the interior of the droplet. Second is the pressure due to the outer shell strength (PrC) gained from van der Walls energy of the coke layers and surface energy. In this present study it is considered that when PrC ≥ Prpf the outer shell starts to harden. The internal motion in the shell layer ceases and the outer diameter (DSOut) of the shell is then fixed. The entire process of cenosphere formation in this study is analysed in three phases: regression, shell formation and hardening, and post shell hardening. Variations in pressures during shell formation are analysed. Shell (cenosphere) dimensions are evaluated at the completion of droplet evaporation. The rate of fuel evaporation, rate of coke formation and coke accumulation are analysed. The model predicts shell outer diameters of 650, 860 and 1040 µm, and inner diameters are 360, 410 and 430 µm respectively, for 700, 900 and 1100 µm HFO droplets. The present numerical model is validated with experimental results available from the literature. Total variation between computational and experimental results is in the range of 3-7%.

Effect of the addition mode of carbon nanotubes for the production of chitosan hydrogel core-shell beads on adsorption of Congo red from aqueous solution.

PubMed

Chatterjee, Sudipta; Chatterjee, Tania; Lim, Seong-Rin; Woo, Seung H

2011-03-01

The adsorption performance of chitosan (CS) hydrogel beads (CSBs) generated by sodium dodecyl sulfate (SDS) gelation with multi-walled carbon nanotube (CNT) impregnation was investigated for Congo red removal as a model anionic dye. CNT-impregnated CSBs were prepared by four different strategies for dispersing CNTs: (a) in CS solution (CSBN1), (b) in SDS solution (CSBN2), (c) in CS solution containing cetyltrimethylammonium bromide (CTAB) (CSBN3), and (d) in SDS solution for gelation with CTAB-containing CS solution (CSBN4). It was observed from FE-SEM study that depending on nature of CNT dispersion, CNTs were found on the outer surface of CSBN2 and CSBN4 only. The adsorption capacity of the CSBs varied with the strategy used for CNT impregnation, and CSBN4 exhibited the highest maximum adsorption capacity (375.94 mg/g) from the Sips model. The lowest Sips maximum adsorption capacity by CSBN3 (121.07 mg/g) suggested significant blocking of binding sites of CS by CNT impregnation. Copyright © 2011 Elsevier Ltd. All rights reserved.

DFT-MD simulations of shocked Xenon

NASA Astrophysics Data System (ADS)

Magyar, Rudolph J.; Mattsson, Thomas R.

2009-03-01

Xenon is not only a technologically important element used in laser technologies, jet propulsion and dental anesthesia, but it is also arguably the simplest material in which to study the metal-insulator transition at high pressure. Because of its closed shell electronic configuration, Xenon is often assumed to be chemically inert, interacting almost entirely through the van der Waals interaction, and at liquid density, is typically modeled well using Leonard-Jones potentials. However, such modeling has a limited range of validity as Xenon is known to form compounds at normal conditions and likely exhibits considerably more chemistry at higher densities when hybridization of occupied orbitals becomes significant. In this talk, we present DFT-MD simulations of shocked liquid Xenon with the goal of developing an improved equation of state. The relative importance of the van der Waals interaction compared to other Coulomb interactions is considered, and estimates of the relative accuracy of various density functionals are quantified. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

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Heating mechanisms for intermittent loops in active region cores from AIA/SDO EUV observations

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

Cadavid, A. C.; Lawrence, J. K.; Christian, D. J.

2014-11-01

We investigate intensity variations and energy deposition in five coronal loops in active region cores. These were selected for their strong variability in the AIA/SDO 94 Å intensity channel. We isolate the hot Fe XVIII and Fe XXI components of the 94 Å and 131 Å by modeling and subtracting the 'warm' contributions to the emission. HMI/SDO data allow us to focus on 'inter-moss' regions in the loops. The detailed evolution of the inter-moss intensity time series reveals loops that are impulsively heated in a mode compatible with a nanoflare storm, with a spike in the hot 131 Å signalsmore » leading and the other five EUV emission channels following in progressive cooling order. A sharp increase in electron temperature tends to follow closely after the hot 131 Å signal confirming the impulsive nature of the process. A cooler process of growing emission measure follows more slowly. The Fourier power spectra of the hot 131 Å signals, when averaged over the five loops, present three scaling regimes with break frequencies near 0.1 min{sup –1} and 0.7 min{sup –1}. The low frequency regime corresponds to 1/f noise; the intermediate indicates a persistent scaling process and the high frequencies show white noise. Very similar results are found for the energy dissipation in a 2D 'hybrid' shell model of loop magneto-turbulence, based on reduced magnetohydrodynamics, that is compatible with nanoflare statistics. We suggest that such turbulent dissipation is the energy source for our loops.« less

Thermophysical properties of heat-treated U-7Mo/Al dispersion fuel

NASA Astrophysics Data System (ADS)

Cho, Tae Won; Kim, Yeon Soo; Park, Jong Man; Lee, Kyu Hong; Kim, Sunghwan; Lee, Chong Tak; Yang, Jae Ho; Oh, Jang Soo; Sohn, Dong-Seong

2018-04-01

In this study, the effects of interaction layer (IL) on thermophysical properties of U-7Mo/Al dispersion fuel were examined. Microstructural analyses revealed that ILs were formed uniformly on U-Mo particles during heating of U-7Mo/Al samples. The IL volume fraction was measured by applying image analysis methods. The uranium loadings of the samples were calculated based on the measured meat densities at 298 K. The density of the IL was estimated by using the measured density and IL volume fraction. Thermal diffusivity and heat capacity of the samples after the heat treatment were measured as a function of temperature and volume fractions of U-Mo and IL. The thermal conductivity of IL-formed U-7Mo/Al was derived by using the measured thermal diffusivity, heat capacity, and density. The thermal conductivity obtained in the present study was lower than that predicted by the modified Hashin-Shtrikman model due to the theoretical model's inability to consider the thermal resistance at interfaces between the meat constituents.

The hydration structure of the heavy-alkalines Rb+ and Cs+ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity.

PubMed

Caralampio, Daniel Z; Martínez, José M; Pappalardo, Rafael R; Marcos, Enrique Sánchez

2017-11-01

Physicochemical properties of the two heaviest stable alkaline cations, Rb + and Cs + , in water have been examined from classical molecular dynamics (MD) simulations. Alkaline cation-water intermolecular potentials have been built from ab initio interaction energies of [M(H 2 O) n ] + clusters. Unlike in the case of other monatomic metal cations, the sampling needed the inclusion of surface clusters to properly describe the interactions. The first coordination shell is found at an average M-O distance of 2.87 Å and 3.12 Å for Rb + and Cs + , respectively, with coordination numbers of 8 and 10. Structural, dynamical and energetic properties are discussed on the basis of the delicate compromise among the ion-water and water-water interactions which contribute almost on the same foot to the definition of the solvent structure around the ions. A significant asymmetry is detected in the Rb + and Cs + first hydration shell. Reorientational times of first-shell water molecules for Cs + support a clear structure-breaking nature for this cation, whereas the Rb + values do not differ from pure water behavior. Experimental EXAFS and XANES spectra have been compared to simulated ones, obtained by means of application of the FEFF code to a set of statistically significant structures taken from the MD simulations. Due to the presence of multi-excitations in the absorption spectra, theoretical-experimental agreement for the EXAFS spectra is reached when the multi-excitations are removed from the experimental spectra.

PREFACE: New nuclear structure phenomena in the vicinity of closed shells

NASA Astrophysics Data System (ADS)

Johnson, A.; Wyss, R.

1995-01-01

The proceedings of the international symposium on "New Nuclear Structure Phenomena in the Vicinity of Closed Shells - SELMA 94", held in Stockholm, Uppsala and on the Baltic Sea from Aug. 30 - Sep. 3 are collected in this volume. Since almost 40% of the session time was kept open for discussions, it is difficult to give full justice to the character of the meeting in a written report. However, since also many posters are presented in this volume, we hope that some of the flavour of this lively symposium will pass onto the reader. We have chosen to group related contributions in order to facilitate the reading. Several articles, though, may fit into several categories. With the event of large detector arrays there has been a tremendous development in the field of nuclear spectroscopy. The discovery of super-deformation has been followed by detailed spectroscopy in the second well. Hence, the concept of shell closure is reinterpreted in general terms, involving shapes different from spherical. Close to the drip lines, we expect new shells and new structure effects to emerge. Loosely bound neutrons may form a new state of nuclear matter. The regions of the nuclear chart far from the line of stability can be explored in the future by means of radioactive ion beams. New structure effects, that one might encounter far from the line of stability was one of the themes of this conference. The strong impact of the nuclear shell model is also evident in other branches of physics, like the structure of metal-clusters. Special attention was paid to the Sn-isotopes. In the Sn-isotopic chain, spectroscopic measurements are extending beyond the doubly-magic nucleus 132Sn. Large efforts have recently been made to study nuclei in the vicinity of the doubly-magic nucleus 100Sn, the other extreme end of the chain. Spectroscopic data on 100Sn would open the entire shell for nuclear structure studies, ranging over a number of 32 neutrons. During the organization of this meeting, the first 100Sn nuclei were observed at GSI, Germany, and in a subsequent experiment at GANIL, France. Results from these experiments were reported during the symposium as were much of the recent data around "classical" shell model nuclei. Neutron deficient nuclei in the Sn region show a variety of phenomena, such as coexisting shapes, enhanced quadrupole transitions etc. The role of intruder states in this mass region as well as the excitation pattern is still a puzzle for experimentalists and theoreticians and was discussed during the meeting. More work is needed until a unified picture of the structure of these nuclei will emerge. The combination of powerful mean-field models, large scale shell model calculations as well as new algebraic approaches to nuclear structure shows the strong and lively development in the field of nuclear theory as was evident from the presentations. It is obvious that great effort is needed to match the rapid development in the field of experimental nuclear structure. The organizing committee expresses special thanks to the Royal Swedish Academy of Sciences, through its Nobel Institute for Physics, for its generous support. We also want to thank the Royal Institute of Technology and Uppsala University for supporting this symposium. All this support was extremely essential for organizing the meeting as well as for rendering it success. We are very pleased about the possibility to print the proceedings of this meeting in Physics Scripta and thank their staff for helpful collaboration. Thanks also to the international advisory committee for its helpful work to select speakers and for suggestions. Conference secretary Inger Ericson's assistance during the meeting as well as the work of the organizing committee is highly appreciated. Finally, we like to thank all speakers and participants for making this symposium extremely lively and exciting. Last but not least: this symposium got its name from little Selma, born 19 January 1994, daughter of A Atac and J Nyberg.

All (4,1): Sigma models with (4 , q) off-shell supersymmetry

NASA Astrophysics Data System (ADS)

Hull, Chris; Lindström, Ulf

2017-03-01

Off-shell (4 , q) supermultiplets in 2-dimensions are constructed for q = 1 , 2 , 4. These are used to construct sigma models whose target spaces are hyperkähler with torsion. The off-shell supersymmetry implies the three complex structures are simultaneously integrable and allows us to construct actions using extended superspace and projective superspace, giving an explicit construction of the target space geometries.

An Aeroelastic Evaluation of the Flexible Thermal Protection System for an Inatable Aerodynamic Decelerator

NASA Astrophysics Data System (ADS)

Goldman, Benjamin D.

The purpose of this dissertation is to study the aeroelastic stability of a proposed flexible thermal protection system (FTPS) for the NASA Hypersonic Inflatable Aerodynamic Decelerator (HIAD). A flat, square FTPS coupon exhibits violent oscillations during experimental aerothermal testing in NASA's 8 Foot High Temperature Tunnel, leading to catastrophic failure. The behavior of the structural response suggested that aeroelastic flutter may be the primary instability mechanism, prompting further experimental investigation and theoretical model development. Using Von Karman's plate theory for the panel-like structure and piston theory aerodynamics, a set of aeroelastic models were developed and limit cycle oscillations (LCOs) were calculated at the tunnel flow conditions. Similarities in frequency content of the theoretical and experimental responses indicated that the observed FTPS oscillations were likely aeroelastic in nature, specifically LCO/flutter. While the coupon models can be used for comparison with tunnel tests, they cannot predict accurately the aeroelastic behavior of the FTPS in atmospheric flight. This is because the geometry of the flight vehicle is no longer a flat plate, but rather (approximately) a conical shell. In the second phase of this work, linearized Donnell conical shell theory and piston theory aerodynamics are used to calculate natural modes of vibration and flutter dynamic pressures for various structural models composed of one or more conical shells resting on several circumferential elastic supports. When the flight vehicle is approximated as a single conical shell without elastic supports, asymmetric flutter in many circumferential waves is observed. When the elastic supports are included, the shell flutters symmetrically in zero circumferential waves. Structural damping is found to be important in this case, as "hump-mode" flutter is possible. Aeroelastic models that consider the individual FTPS layers as separate shells exhibit asymmetric flutter at high dynamic pressures relative to the single shell models. Parameter studies also examine the effects of tension, shear modulus reduction, and elastic support stiffness. Limitations of a linear structural model and piston theory aerodynamics prompted a more elaborate evaluation of the flight configuration. Using nonlinear Donnell conical shell theory for the FTPS structure, the pressure buckling and aeroelastic limit cycle oscillations were studied for a single elastically-supported conical shell. While piston theory was used initially, a time-dependent correction factor was derived using transform methods and potential flow theory to calculate more accurately the low Mach number supersonic flow. Three conical shell geometries were considered: a 3-meter diameter 70° shell, a 3.7-meter 70° shell, and a 6-meter diameter 70° shell. The 6-meter configuration was loaded statically and the results were compared with an experimental load test of a 6-meter HIAD vehicle. Though agreement between theoretical and experimental strains was poor, circumferential wrinkling phenomena observed during the experiments was captured by the theory and axial deformations were qualitatively similar in shape. With piston theory aerodynamics, the nonlinear flutter dynamic pressures of the 3-meter configuration were in agreement with the values calculated using linear theory, and the limit cycle amplitudes were generally on the order of the shell thickness. Pre-buckling pressure loads and the aerodynamic pressure correction factor were studied for all geometries, and these effects resulted in significantly lower flutter boundaries compared with piston theory alone. In the final phase of this work, the existing linear and nonlinear FTPS shell models were coupled with NASA's FUN3D Reynolds Averaged Navier Stokes CFD code, allowing for the most physically realistic flight predictions. For the linear shell structural model, the elastically-supported shell natural modes were mapped to a CFD grid of a 6-meter HIAD vehicle, and a linear structural dynamics solver internal to the CFD code was used to compute the aeroelastic response. Aerodynamic parameters for a proposed HIAD re-entry trajectory were obtained, and aeroelastic solutions were calculated at three points in the trajectory: Mach 1, Mach 2, and Mach 11 (peak dynamic pressure). No flutter was found at any of these conditions using the linear method, though oscillations (of uncertain origin) on the order of the shell thickness may be possible in the transonic regime. For the nonlinear shell structural model, a set of assumed sinusoidal modes were mapped to the CFD grid, and the linear structural dynamics equations were replaced by a nonlinear ODE solver for the conical shell equations. Successful calculation and restart of the nonlinear dynamic aeroelastic solutions was demonstrated. Preliminary results indicated that dynamic instabilities may be possible at Mach 1 and 2, with a completely stable solution at Mach 11, though further study is needed. A major benefit of this implementation is that the coefficients and mode shapes for the nonlinear conical shell may be replaced with those of other types of structures, greatly expanding the aeroelastic capabilities of FUN3D.

A Complete Structural Inventory of the Mycobacterial Microcompartment Shell Proteins Constrains Models of Global Architecture and Transport*

PubMed Central

Mallette, Evan

2017-01-01

Bacterial microcompartments are bacterial analogs of eukaryotic organelles in that they spatially segregate aspects of cellular metabolism, but they do so by building not a lipid membrane but a thin polyhedral protein shell. Although multiple shell protein structures are known for several microcompartment types, additional uncharacterized components complicate systematic investigations of shell architecture. We report here the structures of all four proteins proposed to form the shell of an uncharacterized microcompartment designated the Rhodococcus and Mycobacterium microcompartment (RMM), which, along with crystal interactions and docking studies, suggests possible models for the particle's vertex and edge organization. MSM0272 is a typical hexameric β-sandwich shell protein thought to form the bulk of the facet. MSM0273 is a pentameric β-barrel shell protein that likely plugs the vertex of the particle. MSM0271 is an unusual double-ringed bacterial microcompartment shell protein whose rings are organized in an offset position relative to all known related proteins. MSM0275 is related to MSM0271 but self-organizes as linear strips that may line the facet edge; here, the presence of a novel extendable loop may help ameliorate poor packing geometry of the rigid main particle at the angled edges. In contrast to previously characterized homologs, both of these proteins show closed pores at both ends. This suggests a model where key interactions at the vertex and edges are mediated at the inner layer of the shell by MSM0271 (encircling MSM0273) and MSM0275, and the facet is built from MSM0272 hexamers tiling in the outer layer of the shell. PMID:27927988

A Complete Structural Inventory of the Mycobacterial Microcompartment Shell Proteins Constrains Models of Global Architecture and Transport.

PubMed

Mallette, Evan; Kimber, Matthew S

2017-01-27

Bacterial microcompartments are bacterial analogs of eukaryotic organelles in that they spatially segregate aspects of cellular metabolism, but they do so by building not a lipid membrane but a thin polyhedral protein shell. Although multiple shell protein structures are known for several microcompartment types, additional uncharacterized components complicate systematic investigations of shell architecture. We report here the structures of all four proteins proposed to form the shell of an uncharacterized microcompartment designated the Rhodococcus and Mycobacterium microcompartment (RMM), which, along with crystal interactions and docking studies, suggests possible models for the particle's vertex and edge organization. MSM0272 is a typical hexameric β-sandwich shell protein thought to form the bulk of the facet. MSM0273 is a pentameric β-barrel shell protein that likely plugs the vertex of the particle. MSM0271 is an unusual double-ringed bacterial microcompartment shell protein whose rings are organized in an offset position relative to all known related proteins. MSM0275 is related to MSM0271 but self-organizes as linear strips that may line the facet edge; here, the presence of a novel extendable loop may help ameliorate poor packing geometry of the rigid main particle at the angled edges. In contrast to previously characterized homologs, both of these proteins show closed pores at both ends. This suggests a model where key interactions at the vertex and edges are mediated at the inner layer of the shell by MSM0271 (encircling MSM0273) and MSM0275, and the facet is built from MSM0272 hexamers tiling in the outer layer of the shell. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Modeling the Electrostatics of Hollow Shell Suspensions: Ion Distribution, Pair Interactions, and Many-Body Effects.

PubMed

Hallez, Yannick; Meireles, Martine

2016-10-11

Electrostatic interactions play a key role in hollow shell suspensions as they determine their structure, stability, thermodynamics, and rheology and also the loading capacity of small charged species for nanoreservoir applications. In this work, fast, reliable modeling strategies aimed at predicting the electrostatics of hollow shells for one, two, and many colloids are proposed and validated. The electrostatic potential inside and outside a hollow shell with a finite thickness and a specific permittivity is determined analytically in the Debye-Hückel (DH) limit. An expression for the interaction potential between two such hollow shells is then derived and validated numerically. It follows a classical Yukawa form with an effective charge depending on the shell geometry, permittivity, and inner and outer surface charge densities. The predictions of the Ornstein-Zernike (OZ) equation with this pair potential to determine equations of state are then evaluated by comparison to results obtained with a Brownian dynamics algorithm coupled to the resolution of the linearized Poisson-Boltzmann and Laplace equations (PB-BD simulations). The OZ equation based on the DLVO-like potential performs very well in the dilute regime as expected, but also quite well, and more surprisingly, in the concentrated regime in which full spheres exhibit significant many-body effects. These effects are shown to vanish for shells with small thickness and high permittivity. For highly charged hollow shells, we propose and validate a charge renormalization procedure. Finally, using PB-BD simulations, we show that the cell model predicts the ion distribution inside and outside hollow shells accurately in both electrostatically dilute and concentrated suspensions. We then determine the shell loading capacity as a function of salt concentration, volume fraction, and surface charge density for nanoreservoir applications such as drug delivery, sensing, or smart coatings.

Modeling and simulation in biomedicine.

PubMed Central

Aarts, J.; Möller, D.; van Wijk van Brievingh, R.

1991-01-01

A group of researchers and educators in The Netherlands, Germany and Czechoslovakia have developed and adapted mathematical computer models of phenomena in the field of physiology and biomedicine for use in higher education. The models are graphical and highly interactive, and are all written in TurboPascal or the mathematical simulation language PSI. An educational shell has been developed to launch the models. The shell allows students to interact with the models and teachers to edit the models, to add new models and to monitor the achievements of the students. The models and the shell have been implemented on a MS-DOS personal computer. This paper describes the features of the modeling package and presents the modeling and simulation of the heart muscle as an example. PMID:1807745

Performance analysis of the node shell on a container door based on ANSYS

NASA Astrophysics Data System (ADS)

Li, Qingzhou; Zhou, Yi; Hu, Changqing; Cheng, Jiamin; Zeng, Xiaochen

2018-01-01

The structure of thenode shell on a container door was designed and analyzed in this study. The model of the shell was developed with ANSYS. The grids of the model were divided based on the Hex dominant method, and the stress distribution and the temperature distribution of the shell were calculated based on FEA (Finite Element Analysis) method. The analysis results indicated thatthe location of the concave upward side has the highest stress which also lower than the strength limit of the material. The temperature of the magnet installation location was highest, therefore the glue for fixing the magnet must has high temperature resistance. The results provide the basis for the further optimization of the shell.