WorldWideScience

Sample records for superior structural stability

  1. Stability and electronic structure of carbon capsules with superior gas storage properties: A theoretical study

    International Nuclear Information System (INIS)

    Manna, Arun K.; Pati, Swapan K.

    2013-01-01

    Highlights: • Stability and electronic structure of various carbon capsules are studied. • Effects of capsule’s sizes on electronic and optical properties are explored. • Changes in cohesive and formation energy and electronic gap are discussed. • Capsule’s gas storage propensity is addressed using DFT and ab initio MD. • Capsule’s optical absorptions are discussed with and without stored gas molecules. - Abstract: Structures, electronic and optical properties of carbon nanocapsules of varying sizes (length and diameter) are studied using first-principles density functional theory. Based on calculated cohesive energy, formation energy, electronic gap and extent of orbital delocalization, we examine structural stability and changes in low-energy physics of these carbon capsules. We find that both cohesive and formation energy decrease with increase in capsule’s sizes, indicating their greater structural rigidity and favorable formation feasibility. The electronic gap also decreases with increase in capsule’s sizes due to the larger electronic delocalization. The simulated optical absorption spectra show lowering of low-energy peak positions with increase in the capsule’s dimensions, consistent with the reduction in electronic gap. Additionally, we also provide an estimate of gas storage capacity for the larger carbon capsule (C 460 ) considered. We find 7.69 wt.% and 28.08 wt.% storage propensity for hydrogen and carbon dioxide gases, respectively, which clearly suggests their potential use as light storage materials

  2. Lignin-based carbon fibers: Carbon nanotube decoration and superior thermal stability

    KAUST Repository

    Xu, Xuezhu; Zhou, Jian; Jiang, Long; Lubineau, Gilles; Payne, Scott A.; Gutschmidt, David

    2014-01-01

    and the properties of the resultant products were studied and compared. The CF–CNT hybrid structure produced at 850 °C using a palladium catalyst showed the highest thermal stability, i.e., 98.3% residual weight at 950 °C. A mechanism for such superior thermal

  3. Fabrication of Reductive-Responsive Prodrug Nanoparticles with Superior Structural Stability by Polymerization-Induced Self-Assembly and Functional Nanoscopic Platform for Drug Delivery.

    Science.gov (United States)

    Zhang, Wen-Jian; Hong, Chun-Yan; Pan, Cai-Yuan

    2016-09-12

    A highly efficient strategy, polymerization-induced self-assembly (PISA) for fabrication of the polymeric drug delivery systems in cancer chemotherapy is reported. Diblock prodrug copolymer, PEG-b-P(MEO2MA-co-CPTM) was used as the macro-RAFT agent to fabricate prodrug nanoparticles through PISA. The advantages of fabricating intelligent drug delivery system via this approach are as following: (1) Simultaneous fulfillment of polymerization, self-assembly, and drug encapsulation in one-pot at relatively high concentration (100 mg/mL); (2) Almost complete monomer conversion allows direct application of the resultant prodrug nanoparticles without further purification; (3) Robust structures of the resultant prodrug nanoparticles, because the cross-linker was used as the comonomer, resulted in core-cross-linking simultaneously with the formation of the prodrug nanoparticles; (4) The drug content in the resultant prodrug nanoparticles can be accurately modulated just via adjusting the feed molar ratio of MEO2MA/CPTM in the synthesis of PEG-b-P(MEO2MA-co-CPTM). The prodrug nanoparticles with similar diameters but various drug contents were obtained using different prodrug macro-CTA. In consideration of the long-term biological toxicity, the prodrug nanoparticles with higher drug content exhibit more excellent anticancer efficiency due to that lower dosage of them are enough for effectively killing HeLa cells.

  4. Xeroradiograph of the superior aerial structures

    International Nuclear Information System (INIS)

    Abreu Neto, B.P.; Broccoli Neto, J.; Forni, S.S.; Abilio, S.O.; Uemura, L.

    1987-01-01

    The tecnical procedures, image characteristics and main indications of the method are discussed and the application of the xeroradiography in the cervical region evaluation, including the pharyngeal and laryngeal structures are presented. (l.M.J.) [pt

  5. Insulin structure and stability.

    Science.gov (United States)

    Brange, J; Langkjoer, L

    1993-01-01

    Insulin is composed of 51 amino acids in two peptide chains (A and B) linked by two disulfide bonds. The three-dimensional structure of the insulin molecule (insulin monomer), essentially the same in solution and in solid phase, exists in two main conformations. These differ in the extent of helix in the B chain which is governed by the presence of phenol or its derivatives. In acid and neutral solutions, in concentrations relevant for pharmaceutical formulation, the insulin monomer assembles to dimers and at neutral pH, in the presence of zinc ions, further to hexamers. Many crystalline modifications of insulin have been identified but only those with the hexamer as the basic unit are utilized in preparations for therapy. The insulin hexamer forms a relatively stable unit but some flexibility remains within the individual molecules. The intrinsic flexibility at the ends of the B chain plays an important role in governing the physical and chemical stability of insulin. A variety of chemical changes of the primary structure (yielding insulin derivatives), and physical modifications of the secondary to quaternary structures (resulting in "denaturation," aggregation, and precipitation) are known to affect insulin and insulin preparations during storage and use (Fig. 8). The tendency of insulin to undergo structural transformation resulting in aggregation and formation of insoluble insulin fibrils has been one of the most intriguing and widely studied phenomena in relation to insulin stability. Although the exact mechanism of fibril formation is still obscure, it is now clear that the initial step is an exposure of certain hydrophobic residues, normally buried in the three-dimensional structure, to the surface of the insulin monomer. This requires displacement of the COOH-terminal B-chain residues from their normal position which can only be accomplished via monomerization of the insulin. Therefore, most methods stabilizing insulin against fibrillation share the

  6. Lignin-based carbon fibers: Carbon nanotube decoration and superior thermal stability

    KAUST Repository

    Xu, Xuezhu

    2014-08-23

    Lignin-based carbon fibers (CFs) decorated with carbon nanotubes (CNTs) were synthesized and their structure, thermal stability and wettability were systematically studied. The carbon fiber precursors were produced by electrospinning lignin/polyacrylonitrile solutions. CFs were obtained by pyrolyzing the precursors and CNTs were subsequently grown on the CFs to eventually achieve a CF–CNT hybrid structure. The processes of pyrolysis and CNT growth were conducted in a tube furnace using different conditions and the properties of the resultant products were studied and compared. The CF–CNT hybrid structure produced at 850 °C using a palladium catalyst showed the highest thermal stability, i.e., 98.3% residual weight at 950 °C. A mechanism for such superior thermal stability was postulated based on the results from X-ray diffraction, Raman spectroscopy, scanning and transmission electron microscopy, and electron energy loss spectroscopy analyses. The dense CNT decoration was found to increase the hydrophobicity of the CFs.

  7. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  8. BOMB STABILIZING STRUCTURE

    Science.gov (United States)

    Kelley, J.L.; Runyan, C.E.

    1963-12-10

    A stabilizinig structure capable of minimizing deviations of a falling body such as a bomb from desired trajectory is described. The structure comprises a fin or shroud arrangement of double-wedge configuration, the feeding portion being of narrow wedge shape and the after portion being of a wider wedge shape. The structure provides a force component for keeping the body on essentially desired trajectory throughout its fall. (AEC)

  9. Reverse total shoulder glenoid baseplate stability with superior glenoid bone loss.

    Science.gov (United States)

    Martin, Elise J; Duquin, Thomas R; Ehrensberger, Mark T

    2017-10-01

    Superior wear of the glenoid bone is common in patients with rotator cuff arthropathy. This can become a treatment challenge for patients who require shoulder arthroplasty. In reverse shoulder arthroplasty (RSA), glenoid bone loss may affect the stability of baseplate fixation. The primary purpose of this biomechanical laboratory study was to assess the initial fixation stability of RSA glenosphere baseplates in the presence of variable amounts of superior glenoid bone loss. High-density solid rigid polyurethane foam (30 pounds/cubic foot) was machined to model the glenoid with variable superior defects that provided different levels of support (100%, 90%, 75%, and 50%) for the glenosphere baseplate. The samples were cyclically loaded (0-750 N at 1 Hz for 5000 cycles) at a 60° glenohumeral angle. The micromotion and migration of the baseplate were calculated from displacement data captured during the loading tests with an array of 3 linear variable differential transformers mounted around the baseplate. Micromotion was significantly greater in samples with 50% defects compared with those with smaller defects. Migration was significantly greater after testing for all defect sizes. Initial fixation of RSA glenosphere baseplates was significantly reduced in models with 50% bone loss on the superior edge compared with models with less bone loss in this high-density bone foam model. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

  10. Superior stability for perovskite solar cells with 20% efficiency using vacuum co-evaporation.

    Science.gov (United States)

    Zhu, Xuejie; Yang, Dong; Yang, Ruixia; Yang, Bin; Yang, Zhou; Ren, Xiaodong; Zhang, Jian; Niu, Jinzhi; Feng, Jiangshan; Liu, Shengzhong Frank

    2017-08-31

    Chemical composition and film quality are two key figures of merit for large-area high-efficiency perovskite solar cells. To date, all studies on mixed perovskites have used solution-processing, which results in imperfect surface coverage and pin-holes generated during solvent evaporation, execrably influencing the stability and efficiency of perovskite solar cells. Herein, we report our development using a vacuum co-evaporation deposition method to fabricate pin-hole-free cesium (Cs)-substituted perovskite films with complete surface coverage. Apart from the simplified procedure, the present method also promises tunable band gap, reduced trap-state density and longer carrier lifetime, leading to solar cell efficiency as high as 20.13%, which is among the highest reported for planar perovskite solar cells. The splendid performance is attributed to superior merits of the Cs-substituted perovskite film including tunable band gap, reduced trap-state density and longer carrier lifetime. Moreover, the Cs-substituted perovskite device without encapsulation exhibits significantly higher stability in ambient air compared with the single-component counterpart. When the Cs-substituted perovskite solar cells are stored in dark for one year, the PCE remains at 19.25%, degrading only 4.37% of the initial efficiency. The excellent stability originates from reduced lattice constant and relaxed strain in perovskite lattice by incorporating Cs cations into the crystal lattice, as demonstrated by the positive peak shifts and reduced peak width in X-ray diffraction analysis.

  11. Stability Analysis and Stabilization of Miduk Heap Leaching Structure, Iran

    Directory of Open Access Journals (Sweden)

    Mehdi Amini

    2013-06-01

    Full Text Available To construct copper heap leaching structures, a stepped heap of ore is placed over an isolated sloping surface and then washed with sulphuric acid. The isolated bed of such a heap consists of some natural and geosynthetic layers. Shear strength parameters between these layers are low, so they form the possible sliding surfaces of the heaps. Economic and environmental considerations call for studying such slides. In this study, firstly, results of the laboratory tests carried on the materials of the heap leaching structures bed are presented. Then, the instability mechanisms of such structures are investigated and proper approaches are summarized for their stabilization. Finally, stability of the Miduk copper heap is evaluated as a case history, and appropriate approaches and their effects are discussed for its stabilization.

  12. Tensegrity structures form, stability, and symmetry

    CERN Document Server

    Zhang, Jing Yao

    2015-01-01

    To facilitate a deeper understanding of tensegrity structures, this book focuses on their two key design problems: self-equilibrium analysis and stability investigation. In particular, high symmetry properties of the structures are extensively utilized. Conditions for self-equilibrium as well as super-stability of tensegrity structures are presented in detail. An analytical method and an efficient numerical method are given for self-equilibrium analysis of tensegrity structures: the analytical method deals with symmetric structures and the numerical method guarantees super-stability. Utilizing group representation theory, the text further provides analytical super-stability conditions for the structures that are of dihedral as well as tetrahedral symmetry. This book not only serves as a reference for engineers and scientists but is also a useful source for upper-level undergraduate and graduate students. Keeping this objective in mind, the presentation of the book is self-contained and detailed, with an abund...

  13. Superior acidic catalytic activity and stability of Fe-doped HTaWO6 nanotubes

    KAUST Repository

    Liu, He

    2017-07-26

    Fe-doped HTaWO6 (H1-3xFexTaWO6, x = 0.23) nanotubes as highly active solid acid catalysts were prepared via an exfoliation-scrolling-exchange process. The specific surface area and pore volume of undoped nanotubes (20.8 m2 g-1, 0.057 cm3 g-1) were remarkably enhanced through Fe3+ ion-exchange (>100 m2 g-1, 0.547 cm3 g-1). Doping Fe ions into the nanotubes endowed them with improved thermal stability due to the stronger interaction between the intercalated Fe3+ ions and the host layers. This interaction also facilitated the preservation of effective Brønsted acid sites and the generation of new acid sites. The integration of these functional roles resulted in Fe-doped nanotubes with high acidic catalytic activities in the Friedel-Crafts alkylation of anisole and the esterification of acetic acid. Facile accessibility to active sites, generation of effective Brønsted acid sites, high stability of the tubular structure and strong acid sites were found to synergistically contribute to the excellent acidic catalytic efficiency. Additionally, the activity of cycled nanocatalysts can be easily recovered through annealing treatment.

  14. High-performance hybrid pervaporation membranes with superior hydrothermal and acid stability

    Energy Technology Data Exchange (ETDEWEB)

    Castricum, H.L. [Inorganic Materials Science, MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Blank, D.H.A.; Ten Elshof, J.E. [Van ' t Hoff Institute for Molecular Sciences, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam (Netherlands); Kreiter, R.; Van Veen, H.M.; Vente, J.F. [ECN Efficiency and Infrastructure, Petten (Netherlands)

    2009-05-15

    A new organic-inorganic hybrid membrane has been prepared with exceptional performance in dewatering applications. The only precursor used in the sol-gel synthesis of the selective layer was organically linked 1,2-bis(triethoxysilyl)ethane (BTESE). The microporous structure of this layer enables selective molecular sieving of small molecules from larger ones. In the dehydration of n-butanol with 5% of water, the membrane shows a high separation factor of over 4000 and ultra-fast water transport at a rate of more than 20 kg m{sup -2} h{sup -1} at 150C. This can be related to the high adsorption capacity of the material and the sub-micron thickness of the selective layer. The selectivity has now remained constant over almost one and a half years under continuous process testing conditions. Apart from the hydrothermal stability, the membrane exhibits a high tolerance for acid contamination. A slow performance decline in flux and separation factor is only observed at a pH lower than 2. The high stability and effective separation indicate a broad industrial application potential of the hybrid membrane material.

  15. Superior acidic catalytic activity and stability of Fe-doped HTaWO6 nanotubes

    KAUST Repository

    Liu, He; Zhang, Haitao; Fei, Linfeng; Ma, Hongbin; Zhao, Guoying; Mak, CheeLeung; Zhang, Xixiang; Zhang, Suojiang

    2017-01-01

    Fe-doped HTaWO6 (H1-3xFexTaWO6, x = 0.23) nanotubes as highly active solid acid catalysts were prepared via an exfoliation-scrolling-exchange process. The specific surface area and pore volume of undoped nanotubes (20.8 m2 g-1, 0.057 cm3 g-1) were remarkably enhanced through Fe3+ ion-exchange (>100 m2 g-1, 0.547 cm3 g-1). Doping Fe ions into the nanotubes endowed them with improved thermal stability due to the stronger interaction between the intercalated Fe3+ ions and the host layers. This interaction also facilitated the preservation of effective Brønsted acid sites and the generation of new acid sites. The integration of these functional roles resulted in Fe-doped nanotubes with high acidic catalytic activities in the Friedel-Crafts alkylation of anisole and the esterification of acetic acid. Facile accessibility to active sites, generation of effective Brønsted acid sites, high stability of the tubular structure and strong acid sites were found to synergistically contribute to the excellent acidic catalytic efficiency. Additionally, the activity of cycled nanocatalysts can be easily recovered through annealing treatment.

  16. Stability of the Wurtzite Structure

    DEFF Research Database (Denmark)

    Lawætz, Peter

    1972-01-01

    An analysis of available data for 20 wurtzite compounds of the ANB8-N type shows that the stability as compared with zinc blende is closely connected with deviations of the c / a ratio from the ideal value of 1.633. A simple qualitative model is proposed to account for this feature. The variation...... in c / a is then correlated with the charge parameter ZC / ℏωp, where Z is the (effective) valence, C Phillips's electronegativity difference, and ℏωp the plasma energy of the free-valence-electron gas. The results indicate that c / a may be predicted with an uncertainty of 0.1%....

  17. Sensitivity of system stability to model structure

    Science.gov (United States)

    Hosack, G.R.; Li, H.W.; Rossignol, P.A.

    2009-01-01

    A community is stable, and resilient, if the levels of all community variables can return to the original steady state following a perturbation. The stability properties of a community depend on its structure, which is the network of direct effects (interactions) among the variables within the community. These direct effects form feedback cycles (loops) that determine community stability. Although feedback cycles have an intuitive interpretation, identifying how they form the feedback properties of a particular community can be intractable. Furthermore, determining the role that any specific direct effect plays in the stability of a system is even more daunting. Such information, however, would identify important direct effects for targeted experimental and management manipulation even in complex communities for which quantitative information is lacking. We therefore provide a method that determines the sensitivity of community stability to model structure, and identifies the relative role of particular direct effects, indirect effects, and feedback cycles in determining stability. Structural sensitivities summarize the degree to which each direct effect contributes to stabilizing feedback or destabilizing feedback or both. Structural sensitivities prove useful in identifying ecologically important feedback cycles within the community structure and for detecting direct effects that have strong, or weak, influences on community stability. The approach may guide the development of management intervention and research design. We demonstrate its value with two theoretical models and two empirical examples of different levels of complexity. ?? 2009 Elsevier B.V. All rights reserved.

  18. Sacroiliac joint stability: Finite element analysis of implant number, orientation, and superior implant length.

    Science.gov (United States)

    Lindsey, Derek P; Kiapour, Ali; Yerby, Scott A; Goel, Vijay K

    2018-03-18

    To analyze how various implants placement variables affect sacroiliac (SI) joint range of motion. An experimentally validated finite element model of the lumbar spine and pelvis was used to simulate a fusion of the SI joint using various placement configurations of triangular implants (iFuse Implant System ® ). Placement configurations were varied by changing implant orientation, superior implant length, and number of implants. The range of motion of the SI joint was calculated using a constant moment of 10 N-m with a follower load of 400 N. The changes in motion were compared between the treatment groups to assess how the different variables affected the overall motion of the SI joint. Transarticular placement of 3 implants with superior implants that end in the middle of the sacrum resulted in the greatest reduction in range of motion (flexion/extension = 73%, lateral bending = 42%, axial rotation = 72%). The range of motions of the SI joints were reduced with use of transarticular orientation (9%-18%) when compared with an inline orientation. The use of a superior implant that ended mid-sacrum resulted in median reductions of (8%-14%) when compared with a superior implant that ended in the middle of the ala. Reducing the number of implants, resulted in increased SI joint range of motions for the 1 and 2 implant models of 29%-133% and 2%-39%, respectively, when compared with the 3 implant model. Using a validated finite element model we demonstrated that placement of 3 implants across the SI joint using a transarticular orientation with superior implant reaching the sacral midline resulted in the most stable construct. Additional clinical studies may be required to confirm these results.

  19. STRUCTURAL STABILITY AND ELECTRONIC STRUCTURE OF ...

    African Journals Online (AJOL)

    2012-12-31

    Dec 31, 2012 ... may be applications at high temperature strength and corrosion ... B2 structure, like that found in cesium-chloride (CsCl) and chemical formula RM, where R denotes a rare - earth element and M denotes a late transition metal ...

  20. Stability of bulk metallic glass structure

    Energy Technology Data Exchange (ETDEWEB)

    Jain, H.; Williams, D.B.

    2003-06-18

    The fundamental origins of the stability of the (Pd-Ni){sub 80}P{sub 20} bulk metallic glasses (BMGs), a prototype for a whole class of BMG formers, were explored. While much of the properties of their BMGs have been characterized, their glass-stability have not been explained in terms of the atomic and electronic structure. The local structure around all three constituent atoms was obtained, in a complementary way, using extended X-ray absorption fine structure (EXAFS), to probe the nearest neighbor environment of the metals, and extended energy loss fine structure (EXELFS), to investigate the environment around P. The occupied electronic structure was investigated using X-ray photoelectron spectroscopy (XPS). The (Pd-Ni){sub 80}P{sub 20} BMGs receive their stability from cumulative, and interrelated, effects of both atomic and electronic origin. The stability of the (Pd-Ni){sub 80}P{sub 20} BMGs can be explained in terms of the stability of Pd{sub 60}Ni{sub 20}P{sub 20} and Pd{sub 30}Ni{sub 50}P{sub 20}, glasses at the end of BMG formation. The atomic structure in these alloys is very similar to those of the binary phosphide crystals near x=0 and x=80, which are trigonal prisms of Pd or Ni atoms surrounding P atoms. Such structures are known to exist in dense, randomly-packed systems. The structure of the best glass former in this series, Pd{sub 40}Ni{sub 40}P{sub 20} is further described by a weighted average of those of Pd{sub 30}Ni{sub 50}P{sub 20} and Pd{sub 60}Ni{sub 20}P{sub 20}. Bonding states present only in the ternary alloys were found and point to a further stabilization of the system through a negative heat of mixing between Pd and Ni atoms. The Nagel and Tauc criterion, correlating a decrease in the density of states at the Fermi level with an increase in the glass stability, was consistent with greater stability of the Pd{sub x}Ni{sub (80-x)}P{sub 20} glasses with respect to the binary alloys of P. A valence electron concentration of 1.8 e/a, which

  1. Superior Cycle Stability Performance of Quasi-Cuboidal CoV2O6 Microstructures as Electrode Material for Supercapacitors.

    Science.gov (United States)

    Wang, Yucheng; Chai, Hui; Dong, Hong; Xu, Jiayu; Jia, Dianzeng; Zhou, Wanyong

    2016-10-12

    In this study, a rapid, facile, and environment-friendly microwave-assisted method followed by annealing for synthesizing the quasi-cuboidal CoV 2 O 6 is developed. The as-prepared samples manifest high supercapacitor properties with a specific capacitance of 223 F g -1 , good rate capability, and superior cycle stability, retaining 123.3% capacitance when the number of cycles reaches 15,000 after determined by electrochemical tests. More importantly, the quasi-cuboidal CoV 2 O 6 for the first time is introduced into the supercapacitor as a kind of electrode material. The superior electrochemical performance of the quasi-cuboidal CoV 2 O 6 will render the metal vanadium oxides as new and attractive active material for promising application in supercapacitors.

  2. Structural Stability Of Detached Low Crested Breakwaters

    DEFF Research Database (Denmark)

    Burcharth, Hans F.; Kramer, Morten; Lamberti, Alberto

    2006-01-01

    The aim of the paper is to describe hydraulic stability of rock-armoured low-crested structures on the basis of new experimental tests and prototype observations. Rock armour stability results from earlier model tests under non-depth-limited long-crested head-on waves are reviewed. Results from new...... determining armour stone size in shallow water conditions is given together with a rule of thumb for the required stone size in depth-limited design waves. Rock toe stability is discussed on the basis of prototype experience, hard bottom 2-D tests in depth-limited waves and an existing hydraulic stability...... formula. Toe damage predicted by the formula is in agreement with experimental results. In field sites, damage at the toe induced by scour or by sinking is observed and the volume of the berm is often insufficient to avoid regressive erosion of the armour layer. Stone sinking and settlement in selected...

  3. Structural stability of nonlinear population dynamics.

    Science.gov (United States)

    Cenci, Simone; Saavedra, Serguei

    2018-01-01

    In population dynamics, the concept of structural stability has been used to quantify the tolerance of a system to environmental perturbations. Yet, measuring the structural stability of nonlinear dynamical systems remains a challenging task. Focusing on the classic Lotka-Volterra dynamics, because of the linearity of the functional response, it has been possible to measure the conditions compatible with a structurally stable system. However, the functional response of biological communities is not always well approximated by deterministic linear functions. Thus, it is unclear the extent to which this linear approach can be generalized to other population dynamics models. Here, we show that the same approach used to investigate the classic Lotka-Volterra dynamics, which is called the structural approach, can be applied to a much larger class of nonlinear models. This class covers a large number of nonlinear functional responses that have been intensively investigated both theoretically and experimentally. We also investigate the applicability of the structural approach to stochastic dynamical systems and we provide a measure of structural stability for finite populations. Overall, we show that the structural approach can provide reliable and tractable information about the qualitative behavior of many nonlinear dynamical systems.

  4. Structural stability of nonlinear population dynamics

    Science.gov (United States)

    Cenci, Simone; Saavedra, Serguei

    2018-01-01

    In population dynamics, the concept of structural stability has been used to quantify the tolerance of a system to environmental perturbations. Yet, measuring the structural stability of nonlinear dynamical systems remains a challenging task. Focusing on the classic Lotka-Volterra dynamics, because of the linearity of the functional response, it has been possible to measure the conditions compatible with a structurally stable system. However, the functional response of biological communities is not always well approximated by deterministic linear functions. Thus, it is unclear the extent to which this linear approach can be generalized to other population dynamics models. Here, we show that the same approach used to investigate the classic Lotka-Volterra dynamics, which is called the structural approach, can be applied to a much larger class of nonlinear models. This class covers a large number of nonlinear functional responses that have been intensively investigated both theoretically and experimentally. We also investigate the applicability of the structural approach to stochastic dynamical systems and we provide a measure of structural stability for finite populations. Overall, we show that the structural approach can provide reliable and tractable information about the qualitative behavior of many nonlinear dynamical systems.

  5. TPGS-Stabilized Curcumin Nanoparticles Exhibit Superior Effect on Carrageenan-Induced Inflammation in Wistar Rat

    Directory of Open Access Journals (Sweden)

    Heni Rachmawati

    2016-08-01

    Full Text Available Curcumin, a hydrophobic polyphenol compound derived from the rhizome of the Curcuma genus, has a wide spectrum of biological and pharmacological applications. Previously, curcumin nanoparticles with different stabilizers had been produced successfully in order to enhance solubility and per oral absorption. In the present study, we tested the anti-inflammatory effect of d-α-Tocopheryl polyethylene glycol 1000 succinate (TPGS-stabilized curcumin nanoparticles in vivo. Lambda-carrageenan (λ-carrageenan was used to induce inflammation in rats; it was given by an intraplantar route and intrapelurally through surgery in the pleurisy test. In the λ-carrageenan-induced edema model, TPGS-stabilized curcumin nanoparticles were given orally one hour before induction and at 0.5, 4.5, and 8.5 h after induction with two different doses (1.8 and 0.9 mg/kg body weight (BW. Sodium diclofenac with a dose of 4.5 mg/kg BW was used as a standard drug. A physical mixture of curcumin-TPGS was also used as a comparison with a higher dose of 60 mg/kg BW. The anti-inflammatory effect was assessed on the edema in the carrageenan-induced paw edema model and by the volume of exudate as well as the number of leukocytes reduced in the pleurisy test. TPGS-stabilized curcumin nanoparticles with lower doses showed better anti-inflammatory effects, indicating the greater absorption capability through the gastrointestinal tract.

  6. Stabilization and structural adjustment in Mozambique

    DEFF Research Database (Denmark)

    Tarp, Finn; Arndt, Channing; Jensen, Henning Tarp

    2000-01-01

    This paper outlines the complex historical legacy and structural adjustment efforts in Mozambique in addition to reviewing recent economic developments. An in-depth analysis of new and more reliable national accounts data show that macroeconomic stabilization has occurred through recovery from...

  7. Facile fabrication of cobalt oxalate nanostructures with superior specific capacitance and super-long cycling stability

    Science.gov (United States)

    Cheng, Guanhua; Si, Conghui; Zhang, Jie; Wang, Ying; Yang, Wanfeng; Dong, Chaoqun; Zhang, Zhonghua

    2016-04-01

    Transition metal oxalate materials have shown huge competitive advantages for applications in supercapacitors. Herein, nanostructured cobalt oxalate supported on cobalt foils has been facilely fabricated by anodization, and could directly serve as additive/binder-free electrodes for supercapacitors. The as-prepared cobalt oxalate electrodes present superior specific capacitance of 1269 F g-1 at the current density of 6 A g-1 in the galvanostatic charge/discharge test. Moreover, the retained capacitance is as high as 87.2% as the current density increases from 6 A g-1 to 30 A g-1. More importantly, the specific capacitance of cobalt oxalate retains 91.9% even after super-long cycling of 100,000 cycles. In addition, an asymmetric supercapacitor assembled with cobalt oxalate (positive electrode) and activated carbon (negative electrode) demonstrates excellent capacitive performance with high energy density and power density.

  8. Structural Stability of Low-Crested Breakwaters

    DEFF Research Database (Denmark)

    Kramer, Morten

    equations. New improved design formulae for calculation of static stability of LCS's are developed on the basis of new 2D and 3D laboratory experiments with scale models. The formulae are specially designed for breakwaters subject to shallow water waves and/or depth limited waves, as the majority...... of existing LCS’s are exposed to such conditions. The formulae are validated against prototype experience. Ecological aspects in relation to structural stability are important, and design guidance on how to consider ecology in the design is therefore given. The new design guidance adds practical and helpful...

  9. Unifying dynamical and structural stability of equilibria

    Science.gov (United States)

    Arnoldi, Jean-François; Haegeman, Bart

    2016-09-01

    We exhibit a fundamental relationship between measures of dynamical and structural stability of linear dynamical systems-e.g. linearized models in the vicinity of equilibria. We show that dynamical stability, quantified via the response to external perturbations (i.e. perturbation of dynamical variables), coincides with the minimal internal perturbation (i.e. perturbations of interactions between variables) able to render the system unstable. First, by reformulating a result of control theory, we explain that harmonic external perturbations reflect the spectral sensitivity of the Jacobian matrix at the equilibrium, with respect to constant changes of its coefficients. However, for this equivalence to hold, imaginary changes of the Jacobian's coefficients have to be allowed. The connection with dynamical stability is thus lost for real dynamical systems. We show that this issue can be avoided, thus recovering the fundamental link between dynamical and structural stability, by considering stochastic noise as external and internal perturbations. More precisely, we demonstrate that a linear system's response to white-noise perturbations directly reflects the intensity of internal white-noise disturbance that it can accommodate before becoming stochastically unstable.

  10. Structural Stability of Tokamak Equilibrium: Transport Barriers

    Energy Technology Data Exchange (ETDEWEB)

    Solano, E. R.

    2001-07-01

    A generalised theory of structural stability of differential equations is introduced and applied to the Grad-Shafranov equation. It is discussed how the formation and loss of transport barrier could be associated with the appearance/disappearance of equilibria. The equilibrium conjecture is presented: transport barriers are associated with locally diamagnetic regions in the plasma, and affected by the paramagnetism of the bootstrap current. (Author) 18 refs.

  11. Anatomic ligament consolidation of the superior acromioclavicular ligament and the coracoclavicular ligament complex after acute arthroscopically assisted double coracoclavicular bundle stabilization.

    Science.gov (United States)

    Jobmann, S; Buckup, J; Colcuc, C; Roessler, P P; Zimmermann, E; Schüttler, K F; Hoffmann, R; Welsch, F; Stein, T

    2017-09-18

    The consolidation of the acromioclavicular (AC) and coracoclavicular (CC) ligament complex after arthroscopically assisted stabilization of acute acromioclavicular joint (ACJ) separation is still under consideration. Fifty-five consecutive patients after arthroscopically assisted double-CC-bundle stabilization within 14 days after acute high-grade ACJ separation were studied prospectively. All patients were clinically analysed preoperatively (FU0) and post-operatively (FU1 = 6 months; FU2 = 12 months). The structural MRI assessments were performed at FU0 (injured ACJ) and at FU2 bilateral (radiologic control group) and assessed separately the ligament thickness and length at defined regions for the conoid, trapezoid and the superior AC ligament. Thirty-seven patients were assessed after 6.5 months and after 16.0 months. The 16-month MRI analysis revealed for all patients continuous ligament healing for the CC-complex and the superior AC ligament with in the average hypertrophic consolidation compared to the control side. Separate conoid and trapezoid strands (double-strand configuration) were detected in 27 of 37 (73%) patients, and a single-strand configuration was detected in 10 of 37 (27%) patients; both configurations showed similar CCD data. The ligament healing was not influenced by the point of surgery, age at surgery and heterotopic ossification. The clinical outcome was increased (FU0-FU2): Rowe, 47.7-97.0 pts.; TAFT, 3.9-10.6 pts.; NAS pain , 8.9-1.4 pts. (all P < 0.05). The arthroscopically assisted double-CC-bundle stabilization within 14 days after acute high-grade ACJ separation showed 16 months after surgery sufficient consolidations of the AC and double-CC ligament complex in 73%. III, Case series.

  12. Polyetherimide/bucky gels nanocomposites with superior conductivity and thermal stability

    KAUST Repository

    Chen, Ye

    2013-08-14

    Polyetherimide (PEI) nanocomposites comprising bucky gels of industrial-grade multiwalled carbon nanotubes (MWCNTs) and ionic liquid (IL, 1-butyl-3-methyl imidazolium hexafluorophosphate ([BMIM][PF6])) were prepared. The processing framework for this nanocomposite is simple, reproducible, and easily scalable. The strong interaction between IL and MWCNTs caused the latter to uniformly disperse in the PEI matrix while IL flowed into the gaps between the nanotubes\\' walls. The nanocomposite exhibited an enhanced conductivity of 2.01 × 104 Ω·cm volume resistivity at room temperature; the value decreased dramatically by 12 orders of magnitude, compared to pristine PEI. The IL free ions and MWCNTs networks provided excellent channels for electron transfer. PEI/bucky gels nanocomposites also showed improved thermal stability and high tensile strength. Other than having antiwear properties, this material can have numerous applications in the aerospace and electronics industries. Moreover, our work presents a "green" method toward modified nanocomposites industrial production as IL is environmentally safe and is easily recyclable. © 2013 American Chemical Society.

  13. Polyetherimide/bucky gels nanocomposites with superior conductivity and thermal stability

    KAUST Repository

    Chen, Ye; Tao, Jing; Deng, Lin; LI, LIANG; Li., Jun; Yang, Yang; Khashab, Niveen M.

    2013-01-01

    Polyetherimide (PEI) nanocomposites comprising bucky gels of industrial-grade multiwalled carbon nanotubes (MWCNTs) and ionic liquid (IL, 1-butyl-3-methyl imidazolium hexafluorophosphate ([BMIM][PF6])) were prepared. The processing framework for this nanocomposite is simple, reproducible, and easily scalable. The strong interaction between IL and MWCNTs caused the latter to uniformly disperse in the PEI matrix while IL flowed into the gaps between the nanotubes' walls. The nanocomposite exhibited an enhanced conductivity of 2.01 × 104 Ω·cm volume resistivity at room temperature; the value decreased dramatically by 12 orders of magnitude, compared to pristine PEI. The IL free ions and MWCNTs networks provided excellent channels for electron transfer. PEI/bucky gels nanocomposites also showed improved thermal stability and high tensile strength. Other than having antiwear properties, this material can have numerous applications in the aerospace and electronics industries. Moreover, our work presents a "green" method toward modified nanocomposites industrial production as IL is environmentally safe and is easily recyclable. © 2013 American Chemical Society.

  14. Linking craton stability and deep earth processes using thermochronology; a case study in the Superior Province of the Canadian Shield.

    Science.gov (United States)

    Sturrock, C. P.; Flowers, R. M.; Zhong, S.; Metcalf, J. R.; Kohn, B. P.

    2017-12-01

    Ancient, cratonic continental interiors are often presumed to be stable in the long term, neither accumulating nor shedding significant amounts of overlying sediment. However, recent low-temperature thermochronologic work suggests that such long term stability is an overly simplistic view and that forces besides plate tectonics, such as dynamic topography, may play a significant role. New apatite (U-Th)/He (AHe) and apatite fission track (AFT) data from Archean-Proterozoic basement rocks along a 1400km NW-SE transect in the Superior Province of the Canadian Shield record a spatially variable thermal history for the craton in Paleozoic through the end of Mesozoic time. Dates range from 600­­­­­­±60 Ma (AHe) and 529­±48 Ma (AFT) in the west to 184±14 Ma (AHe) and 174±9 Ma (AFT) in the east. Tectonic activity within the Superior Province ceased by 1.8 Ga, with the latest activity at the margins ending at 1 Ga. Widespread resetting of both AHe and AFT systems post 1 Ga is most likely due to regional scale burial at one or more times since the Cambrian. The temperature sensitivity of the AHe and AFT systems (30-90°C and 60-120°C, respectively) require at least a few km of burial across the craton that has since been stripped away. Preliminary inverse thermal history models, utilizing geologic constraints and radiation damage effects on He diffusion in apatite, indicate significant reheating in the Paleozoic-early Mesozoic (37 to >120°C) and a possible lesser reheating event since the mid Mesozoic (geothermal gradient and 0°C surface temperature, burial in some areas must have been at least 2-5km in the Paleozoic and was <4km in the Mesozoic. These burial and denudation patterns do not correlate with global sea level changes, making dynamic topography a good candidate for a driving mechanism. New AHe data from kimberlites emplaced in the early to mid-Jurassic will provide an important new constraint on the post-Jurassic thermal history of the Superior

  15. Superior supercapacitors based on nitrogen and sulfur co-doped hierarchical porous carbon: Excellent rate capability and cycle stability

    Science.gov (United States)

    Zhang, Deyi; Han, Mei; Wang, Bing; Li, Yubing; Lei, Longyan; Wang, Kunjie; Wang, Yi; Zhang, Liang; Feng, Huixia

    2017-08-01

    Vastly improving the charge storage capability of supercapacitors without sacrificing their high power density and cycle performance would bring bright application prospect. Herein, we report a nitrogen and sulfur co-doped hierarchical porous carbon (NSHPC) with very superior capacitance performance fabricated by KOH activation of nitrogen and sulfur co-doped ordered mesoporous carbon (NSOMC). A high electrochemical double-layer (EDL) capacitance of 351 F g-1 was observed for the reported NSHPC electrodes, and the capacitance remains at 288 F g-1 even under a large current density of 20 A g-1. Besides the high specific capacitance and outstanding rate capability, symmetrical supercapacitor cell based on the NSHPC electrodes also exhibits an excellent cycling performance with 95.61% capacitance retention after 5000 times charge/discharge cycles. The large surface area caused by KOH activation (2056 m2 g-1) and high utilized surface area owing to the ideal micro/mesopores ratio (2.88), large micropores diameter (1.38 nm) and short opened micropores structure as well as the enhanced surface wettability induced by N and S heteroatoms doping and improved conductivity induced by KOH activation was found to be responsible for the very superior capacitance performance.

  16. Microflora and structural stability of soils

    International Nuclear Information System (INIS)

    Guckert, A.; Chone, Therese; Jacquin, F.; Institut National Polytechnique, 54 - Nancy; Centre National de la Recherche Scientifique, 54 - Vandoeuvre-les-Nancy

    1975-01-01

    Water stable aggregates produced during the incubation of a loamy soil amended with glucose 14 C show a quite differing evolution of their physical properties and their organic matter according to the time of incubation after which they have been isolated from the soil by water sieving. The aggregates, built up during the first week of incubation, therefore during the maximal activity stage of the microflora of the soil, present the highest stability against biodegradation induced by a second incubation process, even if this one has reached six weeks. This evolution of the physical properties of the aggregates, is essentially in relationship with the microbially synthetized organic matter and especially the polysaccharides preferentially incorporated into the humine fraction. This relatively labile microbial humine has a high aggregating effect, the polysaccharide chains forming several bonds between the neighbouring clay surfaces and building up stable structural units. The mechanical strength of these aggregates is related to the stabilization of the humine produced previously and whose evolution towards a relatively stable form seems to be the result of two mechanisms: a secundary biodegradation parallel to a higher humification process of the organic matter and a increase of the bonds between polysaccharides and clay surfaces favoured by the alternation of wetting and drying [fr

  17. Early structure of LPG partially premixed conically stabilized flames

    KAUST Repository

    Elbaz, Ayman M.

    2013-01-01

    This paper presents experimental investigation of LPG partially premixed turbulent flames stabilized within a conical nozzle burner under constant degree of partial premixing. The stability limits and mean flame structure are presented based

  18. Facile synthesis of core–shell structured PANI-Co_3O_4 nanocomposites with superior electrochemical performance in supercapacitors

    International Nuclear Information System (INIS)

    Hai, Zhenyin; Gao, Libo; Zhang, Qiang; Xu, Hongyan; Cui, Danfeng; Zhang, Zengxing; Tsoukalas, Dimitris; Tang, Jun; Yan, Shubin; Xue, Chenyang

    2016-01-01

    Graphical abstract: - Highlights: • PANI-Co_3O_4 is synthesized by carbon-assisted and in situ polymerization methods. • PANI coating improves the properties of Co_3O_4 affecting electrochemical performance. • The nanocomposites exhibit a high specific capacitance of 1184 F g"−"1 at 1.25 A g"−"1. - Abstract: Core–shell structured PANI-Co_3O_4 nanocomposites for supercapacitor applications were synthesized by combination of carbon-assisted method and in situ polymerization method. The crystalline structure, optical band gap, morphology, and hydrophilic property, as the major factors affecting the performances of supercapacitors, were investigated by X-ray diffraction (XRD), UV–vis spectrophotometry (UV–vis), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and water contact angle (WCA). The core–shell structured PANI-Co_3O_4 nanocomposites are characterized by amorphous PANI, small bandgaps, large surface area and favorable hydrophilicity, which indicates the superior electrochemical performances of the nanocomposites as electrode material for supercapacitors. Cyclic voltammetry (CV), galvanostatic charge/discharge and electrochemical impedance spectroscopy (EIS) measurements were conducted in 6 M KOH aqueous solution to evaluate the electrochemical performances. The results shows that core–shell structured PANI-Co_3O_4 nanocomposites exhibit a high specific capacitance of 1184 F g"−"1 at 1.25 A g"−"1, excellent cycling stability of a capacitance retention of 84.9% after 1000 galvanostatic charge/discharge cycles, good electrical conductivity and ion diffusion behavior.

  19. Stability and the structure of continuous-time economic models

    NARCIS (Netherlands)

    Nieuwenhuis, H.J.; Schoonbeek, L.

    In this paper we investigate the relationship between the stability of macroeconomic, or macroeconometric, continuous-time models and the structure of the matrices appearing in these models. In particular, we concentrate on dominant-diagonal structures. We derive general stability results for models

  20. Breaking Dense Structures: Proving Stability of Densely Structured Hybrid Systems

    Directory of Open Access Journals (Sweden)

    Eike Möhlmann

    2015-06-01

    Full Text Available Abstraction and refinement is widely used in software development. Such techniques are valuable since they allow to handle even more complex systems. One key point is the ability to decompose a large system into subsystems, analyze those subsystems and deduce properties of the larger system. As cyber-physical systems tend to become more and more complex, such techniques become more appealing. In 2009, Oehlerking and Theel presented a (de-composition technique for hybrid systems. This technique is graph-based and constructs a Lyapunov function for hybrid systems having a complex discrete state space. The technique consists of (1 decomposing the underlying graph of the hybrid system into subgraphs, (2 computing multiple local Lyapunov functions for the subgraphs, and finally (3 composing the local Lyapunov functions into a piecewise Lyapunov function. A Lyapunov function can serve multiple purposes, e.g., it certifies stability or termination of a system or allows to construct invariant sets, which in turn may be used to certify safety and security. In this paper, we propose an improvement to the decomposing technique, which relaxes the graph structure before applying the decomposition technique. Our relaxation significantly reduces the connectivity of the graph by exploiting super-dense switching. The relaxation makes the decomposition technique more efficient on one hand and on the other allows to decompose a wider range of graph structures.

  1. Dynamical stability in fluid-structure interaction

    International Nuclear Information System (INIS)

    Planchard, J.; Thomas, B.

    1991-01-01

    The aim of the paper is to investigate the dynamical stability of a group of elastic tubes placed in a cross-flow which obeys to the Navier-Stokes equations. The stability of this coupled system is deduced from the study of a quadratic eigenvalue problem arising in the linearized equations. The instability occurs when the real part of one of the eigenvalues becomes positive; the steady state is then replaced by a time-periodic state which is stable (Hopf bifurcation phenomenon). Some numerical methods for solving the quadratic eigenvalue problem are described [fr

  2. Metal Hydride Nanoparticles with Ultrahigh Structural Stability and Hydrogen Storage Activity Derived from Microencapsulated Nanoconfinement.

    Science.gov (United States)

    Zhang, Jiguang; Zhu, Yunfeng; Lin, Huaijun; Liu, Yana; Zhang, Yao; Li, Shenyang; Ma, Zhongliang; Li, Liquan

    2017-06-01

    Metal hydrides (MHs) have recently been designed for hydrogen sensors, switchable mirrors, rechargeable batteries, and other energy-storage and conversion-related applications. The demands of MHs, particular fast hydrogen absorption/desorption kinetics, have brought their sizes to nanoscale. However, the nanostructured MHs generally suffer from surface passivation and low aggregation-resisting structural stability upon absorption/desorption. This study reports a novel strategy named microencapsulated nanoconfinement to realize local synthesis of nano-MHs, which possess ultrahigh structural stability and superior desorption kinetics. Monodispersed Mg 2 NiH 4 single crystal nanoparticles (NPs) are in situ encapsulated on the surface of graphene sheets (GS) through facile gas-solid reactions. This well-defined MgO coating layer with a thickness of ≈3 nm efficiently separates the NPs from each other to prevent aggregation during hydrogen absorption/desorption cycles, leading to excellent thermal and mechanical stability. More interestingly, the MgO layer shows superior gas-selective permeability to prevent further oxidation of Mg 2 NiH 4 meanwhile accessible for hydrogen absorption/desorption. As a result, an extremely low activation energy (31.2 kJ mol -1 ) for the dehydrogenation reaction is achieved. This study provides alternative insights into designing nanosized MHs with both excellent hydrogen storage activity and thermal/mechanical stability exempting surface modification by agents. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. MOLECULAR STRUCTURE AND STABILITY E. Vessally* Payame ...

    African Journals Online (AJOL)

    Preferred Customer

    planar conformers are also found for NO, CO, SiO, GeO, O, C, Si, Ge. Isodesmic reactions to determine the stabilities of XO and X are considered. Nuclear independent chemical shifts, NICS, are calculated for the investigation of the homo-aromatic character of XO and X. The optimised geometries show the bonding in the.

  4. Structure and thermal stability of nanocrystalline materials

    Indian Academy of Sciences (India)

    In addition, study of the thermal stability of nanocrystalline materials against significant grain growth is both scientific and technological interest. A sharp increase in grain size (to micron levels) during consolidation of nanocrystalline powders to obtain fully dense materials may consequently result in the loss of some unique ...

  5. Advances in Computational Stability Analysis of Composite Aerospace Structures

    International Nuclear Information System (INIS)

    Degenhardt, R.; Araujo, F. C. de

    2010-01-01

    European aircraft industry demands for reduced development and operating costs. Structural weight reduction by exploitation of structural reserves in composite aerospace structures contributes to this aim, however, it requires accurate and experimentally validated stability analysis of real structures under realistic loading conditions. This paper presents different advances from the area of computational stability analysis of composite aerospace structures which contribute to that field. For stringer stiffened panels main results of the finished EU project COCOMAT are given. It investigated the exploitation of reserves in primary fibre composite fuselage structures through an accurate and reliable simulation of postbuckling and collapse. For unstiffened cylindrical composite shells a proposal for a new design method is presented.

  6. Structural alterations of the superior temporal gyrus in schizophrenia: Detailed subregional differences.

    Science.gov (United States)

    Ohi, K; Matsuda, Y; Shimada, T; Yasuyama, T; Oshima, K; Sawai, K; Kihara, H; Nitta, Y; Okubo, H; Uehara, T; Kawasaki, Y

    2016-05-01

    Reduced gray matter volumes in the superior temporal gyrus (STG) have been reported in patients with schizophrenia. Such volumetric abnormalities might denote alterations in cortical thickness, surface area, local gyrification or all of these factors. The STG can be anatomically divided into five subregions using automatic parcellation in FreeSurfer: lateral aspect of the STG, anterior transverse temporal gyrus of Heschl gyrus (HG), planum polare (PP) of the STG, planum temporale (PT) of the STG and transverse temporal sulcus. We acquired magnetic resonance imaging (MRI) 3T scans from 40 age- and sex-matched patients with schizophrenia and 40 healthy subjects, and the scans were automatically processed using FreeSurfer. General linear models were used to assess group differences in regional volumes and detailed thickness, surface area and local gyrification. As expected, patients with schizophrenia had significantly smaller bilateral STG volumes than healthy subjects. Of the five subregions in the STG, patients with schizophrenia showed significantly and marginally reduced volumes in the lateral aspect of the STG and PT of the STG bilaterally compared with healthy subjects. The volumetric alteration in bilateral lateral STG was derived from both the cortical thickness and surface area but not local gyrification. There was no significant laterality of the alteration in the lateral STG between patients and controls and no correlation among the structures and clinical characteristics. These findings suggest that of five anatomical subregions in the STG, the lateral STG is one of the most meaningful regions for brain pathophysiology in schizophrenia. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  7. Stability, structure, and evolution of cool loops

    International Nuclear Information System (INIS)

    Cally, P.S.; Robb, T.D.

    1991-01-01

    The criteria for the existence and stability of cool loops are reexamined. It is found that the stability of the loops strongly depends on the form of the heating and radiative loss functions and that if the Ly-alpha peak which appears in most calculations of the radiative loss function is real, cool loops are almost certainly unstable. Removing the hydrogen contribution from the recent loss function Q(T) by Cook et al. (1989) does not produce the much-used result, Q proportional to T-cubed, which is so favorable to cool loop stability. Even using the probably unrealistically favorable loss function Q1 of Cook et al. with the hydrogen contribution removed, the maximum temperature attainable in stable cool loops is a factor of 2-3 too small to account for the excess emission observed in lower transition region lines. Dynamical simulations of cool loop instabilities reveal that the final state of such a model is the hot loop equilibrium. 26 refs

  8. On One Approach to TSP Structural Stability

    Directory of Open Access Journals (Sweden)

    Evgeny Ivanko

    2014-01-01

    Full Text Available In this paper we study an inverse approach to the traveling salesman reoptimization problem. Namely, we consider the case of the addition of a new vertex to the initial TSP data and fix the simple “adaptation” algorithm: the new vertex is inserted into an edge of the optimal tour. In the paper we consider the conditions describing the vertexes that can be inserted by this algorithm without loss of optimality, study the properties of stability areas, and address several model applications.

  9. Electronic structure theory of alloy phase stability

    International Nuclear Information System (INIS)

    Turchi, P.E.A.; Sluiter, M.

    1992-01-01

    We present a brief overview of the advanced methodology which has been developed and applied to the study of phase stability properties in substitutional alloys. The approach is based on the real space version of the Generalized Perturbation Method within the Korringa-Kohn-Rostoker multiple scattering formulation of the Coherent Potential Approximation. Temperature effects are taken into account with a generalized meanfield approach, namely the Cluster Variation Method, or with Monte-Carlo simulations. We show that this approach is well suited for studying ground state properties of substitutional alloys, for calculating energies of idealized interfaces and antiphase boundaries, and finally to compute alloy phase diagrams

  10. Rock stream stability structures in the vicinity of bridges.

    Science.gov (United States)

    2014-10-01

    This report was sponsored by the Utah Department of Transportation (UDOT) to determine if rock stream stability structures could be used as : scour countermeasures and to protect streambanks. Traditional scour countermeasures, such as rock riprap, ar...

  11. Structure and stability of warm cores in neutron stars

    Energy Technology Data Exchange (ETDEWEB)

    Ibanez Cabanell, J M [Departamento de Mecanica y Astronomia, Facultad de Matematicas, Burjasot-Valencia (Spain)

    1981-12-01

    Relativistic equations of structure are solved using Lamb's equations of state for warm neutron degenerate matter. The stability of isothermal cores in neutron stars is discussed and also the possible compatibility of the results obtained with experimental evidence is shown.

  12. Interface stability of granular filter structures under currents

    NARCIS (Netherlands)

    Verheij, H.J.; Hoffmans, G.; Dorst, K.; Van de Sande, S.

    2012-01-01

    Granular filters are used for protection of structures against scour and erosion. For a proper functioning it is necessary that the interfaces between the filter structure, the subsoil and the water flowing above the filter structure are stable. Stability means that there is no transport of subsoil

  13. Stability patterns for a size-structured population model and its stage-structured counterpart

    DEFF Research Database (Denmark)

    Zhang, Lai; Pedersen, Michael; Lin, Zhigui

    2015-01-01

    In this paper we compare a general size-structured population model, where a size-structured consumer feeds upon an unstructured resource, to its simplified stage-structured counterpart in terms of equilibrium stability. Stability of the size-structured model is understood in terms of an equivale...... to the population level....

  14. Phase stability and electronic structure of transition-metal aluminides

    International Nuclear Information System (INIS)

    Carlsson, A.E.

    1992-01-01

    This paper will describe the interplay between die electronic structure and structural energetics in simple, complex, and quasicrystalline Al-transition metal (T) intermetallics. The first example is the Ll 2 -DO 22 competition in Al 3 T compounds. Ab-initio electronic total-energy calculations reveal surprisingly large structural-energy differences, and show that the phase stability of both stoichiometric and ternary-substituted compounds correlates closely with a quasigap in the electronic density of states (DOS). Secondly, ab-initio calculations for the structural stability of the icosahedrally based Al 12 W structure reveal similar quasigap effects, and provide a simple physical explanation for the stability of the complex aluminide structures. Finally, parametrized tight-binding model calculations for the Al-Mn quasicrystal reveal a large spread in the local Mn DOS behavior, and support a two-site model for the quasicrystal's magnetic behavior

  15. Structuring Economic Power for Stability Operations

    National Research Council Canada - National Science Library

    Wallen, Andrew T

    2006-01-01

    .... By their nature, these operations have a strong economic context. This thesis provides a methodology for evaluating current institutional structures and economic doctrines being forged among various government agencies...

  16. The Structure of Nuclei Far from Stability

    International Nuclear Information System (INIS)

    Zganjar, E.F.

    1999-01-01

    From among a number of important nuclear structure results that have emerged from our research program during the past few years, two stand out as being of extra significance. These are: (a) the identification of a diabatic coexisting structure in 187 Au which arises solely from differences in proton occupation of adjacent oscillator shells, and (b) the realization of a method for estimating EO strength in nuclei and the resulting prediction that the de-excitation of superdeformed bands may proceed, in some cases, by strong EO transitions

  17. Atomistic mechanisms governing structural stability change of zinc antimony thermoelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xiaolong [Frontier Institute of Science and Technology, Xi' an Jiaotong University, Xi' an 710054 (China); Lin, Jianping, E-mail: jaredlin@163.com [School of Materials Science and Engineering, Xiamen University of Technology, Xiamen 361024 (China); Qiao, Guanjun [State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, Zhao, E-mail: zwangzhao@gmail.com [Frontier Institute of Science and Technology, Xi' an Jiaotong University, Xi' an 710054 (China); State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049 (China)

    2015-01-05

    The structural stability of thermoelectric materials is a subject of growing importance for their energy harvesting applications. Here, we study the microscopic mechanisms governing the structural stability change of zinc antimony at its working temperature, using molecular dynamics combined with experimental measurements of the electrical and thermal conductivity. Our results show that the temperature-dependence of the thermal and electrical transport coefficients is strongly correlated with a structural transition. This is found to be associated with a relaxation process, in which a group of Zn atoms migrates between interstitial sites. This atom migration gradually leads to a stabilizing structural transition of the entire crystal framework, and then results in a more stable crystal structure of β–Zn{sub 4}Sb{sub 3} at high temperature.

  18. Structural stability of nano-sized clusters

    NARCIS (Netherlands)

    De Hosson, JTM; Palasantzas, G; Vystavel, T; Koch, S; Ovidko,; Pande, CS; Krishnamoorti, R; Lavernia, E; Skandan, G

    2004-01-01

    This contribution presents challenges to control the microstructure in nano-structured materials via a relatively new approach, i.e. using a so-called nanocluster source. An important aspect is that the cluster size distribution is monodisperse and that the kinetic energy of the clusters during

  19. Structural stability properties of Friedman cosmology

    International Nuclear Information System (INIS)

    Szydlowski, M.; Heller, M.; Pontificial Academy of Cracow, Krakow; Golda, Z.

    1984-01-01

    A dynamical system with Robertson-Walker symmetries and the equation of the state p = γepsilon, O <= γ <= 1, considered both as a conservative and nonconservative system, is studied with respect to its structural properties. Different cases are shown and analyzed on the phase space (x = Rsup(D), γ = (dx/dt)). (author)

  20. Biomechanical Comparison of 3 Inferiorly Directed Versus 3 Superiorly Directed Locking Screws on Stability in a 3-Part Proximal Humerus Fracture Model.

    Science.gov (United States)

    Donohue, David M; Santoni, Brandon G; Stoops, T Kyle; Tanner, Gregory; Diaz, Miguel A; Mighell, Mark

    2018-06-01

    To quantify the stability of 3 points of inferiorly directed versus 3 points of superiorly directed locking screw fixation compared with the full contingent of 6 points of locked screw fixation in the treatment of a 3-part proximal humerus fracture. A standardized 3-part fracture was created in 10 matched pairs (experimental groups) and 10 nonmatched humeri (control group). Osteosynthesis was performed using 3 locking screws in the superior hemisphere of the humeral head (suspension), 3 locking screws in the inferior hemisphere (buttress), or the full complement of 6 locking screws (control). Specimens were tested in varus cantilever bending (7.5 Nm) to 10,000 cycles or failure. Construct survival (%) and the cycles to failure were compared. Seven of 10 controls survived the 10,000-cycle runout (70%: 8193 average cycles to failure). No experimental constructs survived the 10,000-cycle runout. Suspension and buttress screw groups failed an average of 331 and 516 cycles, respectively (P = 1.00). The average number of cycles to failure and the number of humeri surviving the 10,000-cycle runout were greater in the control group than in the experimental groups (P ≤ 0.006). Data support the use of a full contingent of 6 points of locking screw fixation over 3 superior or 3 inferior points of fixation in the treatment of a 3-part proximal humerus fracture with a locking construct. No biomechanical advantage to the 3 buttress or 3 suspension screws used in isolation was observed.

  1. FINANCIAL SYSTEM STRUCTURE AND STABILITY DURING TRANSITION

    Directory of Open Access Journals (Sweden)

    Firtescu Bogdan

    2012-07-01

    Full Text Available The process of transition from socialist economy to market economy was not considered an end in itself, but a necessity, and standing proof to achieve high levels of sustainable development. All former socialist countries are characterized by an early transition recession transformation result of the restructuring, loss of markets, tough competition from foreign products, best quality, or in other cases cheaper. To express the financial system structure in transition we take into discussion data that reflects representatives mutations and restructuring in Central and Eastern European countries, such Bulgaria, Czech Republic, Hungary, Poland and Romania. For all countries we show some important changes of financial system during transition and construct an image matrix that illustrates important indicators of financial system structure and their adjustment.

  2. Nuclear structure/nuclei far from stability

    International Nuclear Information System (INIS)

    Casten, R.F.; Garrett, J.D.; Moller, P.; Bauer, W.W.; Brenner, D.S.; Butler, G.W.; Crawford, J.E.; Davids, C.N.; Dyer, P.L.; Gregorich, K.; Hagbert, E.G.; Hamilton, W.D.; Harar, S.; Haustein, P.E.; Hayes, A.C.; Hoffman, D.C.; Hsu, H.H.; Madland, D.G.; Myers, W.D.; Penttila, H.T.; Ragnarsson, I.; Reeder, P.L.; Robertson, G.H.; Rowley, N.; Schreiber, F.; Seifert, H.L.; Sherrill, B.M.; Siciliano, E.R.; Sprouse, G.D.; Stephens, F.S.; Subotic, K.; Talbert, W.; Toth, K.S.; Tu, X.L.; Vieira, D.J.; Villari, A.C.C.; Walters, W.B.; Wildenthal, B.H.; Wilhelmy, J.B.; Winger, J.A.; Wohn, F.K.; Wouters, J.M.; Zhou, X.G.; Zhou, Z.Y.

    1990-01-01

    This report outlines some of the nuclear structure topics discussed at the Los Alamos Workshop on the Science of Intense Radioactive Ion Beams (RIB). In it we also tried to convey some of the excitement of the participants for utilizing RIBs in their future research. The introduction of radioactive beams promises to be a major milestone for nuclear structure perhaps even more important than the last such advance in beams based on the advent of heavy-ion accelerators in the 1960's. RIBs not only will allow a vast number of new nuclei to be studies at the extremes of isospin, but the variety of combinations of exotic proton and neutron configurations should lead to entirely new phenomena. A number of these intriguing new studies and the profound consequences that they promise for understanding the structure of the atomic nucleus, nature's only many-body, strongly-inteacting quantum system, are discussed in the preceeding sections. However, as with any scientific frontier, the most interesting phenomena probably will be those that are not anticipated--they will be truly new

  3. Structure stability of HKUST-1 towards water and ethanol and their effect on its CO2 capture properties.

    Science.gov (United States)

    Álvarez, J Raziel; Sánchez-González, Elí; Pérez, Eric; Schneider-Revueltas, Emilia; Martínez, Ana; Tejeda-Cruz, Adriana; Islas-Jácome, Alejandro; González-Zamora, Eduardo; Ibarra, Ilich A

    2017-07-18

    Water and ethanol stabilities of the crystal structure of the Cu-based metal-organic framework (MOF) HKUST-1 have been investigated. Vapour (water and ethanol) sorption isotherms and cyclability were measured by a dynamic strategy. The ethanol sorption capacity of HKUST-1 at 303 K remained unchanged contrasting water sorption (which decreased along with the sorption experiment time). Considering the binding energy of each sorbate with the open Cu(ii) sites, obtained by the use of diffusion coefficients, we showed the superior crystal stability of the HKUST-1 framework towards ethanol. Finally, a small quantity of ethanol (pre-adsorbed) slightly enhanced CO 2 capture without crystal structure degradation.

  4. Effects of Ecohydraulic Bank Stabilization Structures on Bank Stability and Macroinvertebrate Community in Surabaya River

    Directory of Open Access Journals (Sweden)

    Daru Setyo Rini

    2018-01-01

    Full Text Available There were 18 accelerated erosion sites identified along 7 km of Surabaya River Fishery Sanctuary Area. A model of ecohydraulic bank stabilization was applied to reduce bank erosion in Surabaya River at Gresik Regency Indonesia. The model is combination of reprofiled and revegetated bank with rock toe reinforcement and  addition of log groynes. Various native plant species were planted and naturally grown to establish multi-strata littoral vegetation structure. This study assessed effects of ecohydraulic bank stabilization on bank morphology, near bank velocity and littoral macroinvertebrate community during September 2014 to August 2016. The study found that rock toe enforcement, log groynes and reprofiled bank slope could stabilized the eroded bank, and littoral vegetation formation reduced near bank velocity at restored sites. There were 31 families of macroinvertebrate found in Surabaya River with high abundance of moderately pollution sensitive taxa Atyidae and pollution tolerant taxa Corixidae, Chironomidae and Tubificidae. The taxa richness, diversity index and abundance of sensitive and moderately sensitive macroinvertebrate group were increased after application of ecohydraulic bank stabilization at restored area. The results shown that ecohydraulic bank stabilization structure provides multi-benefits in improving bank stabilization against erosion and providing new micro-habitats for biotic community. Keywords:  ecohydraulic bank stabilization, macroinvertebrates, riparian restoration

  5. A reliable method for the stability analysis of structures ...

    African Journals Online (AJOL)

    The detection of structural configurations with singular tangent stiffness matrix is essential because they can be unstable. The secondary paths, especially in unstable buckling, can play the most important role in the loss of stability and collapse of the structure. A new method for reliable detection and accurate computation of ...

  6. Structure and stability of spiro-cyclic water clusters

    Indian Academy of Sciences (India)

    Administrator

    Abstract. The structure and stability of spiro-cyclic water clusters containing up to 32 water molecules have been ... due to its importance in various real life systems. 1–8. High level ... It is well-known from the crystal structure data- base that the ...

  7. Structure of Nuclei Far From Stability

    Energy Technology Data Exchange (ETDEWEB)

    Blackmon, Jeffery C. [Louisiana State Univ., Baton Rouge, LA (United States); Tribble, Robert E. [Texas A & M Univ., College Station, TX (United States); Sobotka, Lee G. [Washington Univ., St. Louis, MO (United States); Bertulani, Carlos [Texas A & M Univ., Commerce, TX (United States)

    2015-12-29

    The work performed under this grant has led to the development of a detection system that will be used to measure reaction rates for proton or neutron capture reactions at stellar energies on radioactive ions far from stability. The reaction rates are needed to better understand the physics of nucleosynthesis in explosive stellar processes such as supernovae and X-ray burst explosions. The radioactive ions will be produced at the Radioactive Ion Beam Facility (RIBF) at RIKEN near Tokyo, Japan. During the course of this work, the group involved in this project has expanded by several institutions in Europe and Japan and now involves collaborators from the U.S., Japan, Hungary, Romania, Germany, Spain, Italy, China, and South Korea. As part of the project, a novel design based on large-area silicon detectors has been built and tested and the performance characterized in a series of tests using particle beams with a variety of atomic numbers at the Cyclotron Institute of Texas A&M University and the Heavy Ion Medical Accelerator in Chiba facility (HIMAC) in Chiba, Japan. The work has involved mechanical construction of a special purpose vacuum chamber, with a precision mounting system for the silicon detectors, development of a new ASICs readout system that has applications with a wide variety of silicon detector systems, and the development of a data acquisition system that is integrated into the computer system being used at RIBF. The parts noted above that are needed to carry out the research program are completed and ready for installation. Several approved experiments that will use this system will be carried out in the near future. The experimental work has been delayed due to a large increase in the cost and availability of electrical power for RIBF that occurred following the massive earthquake and tsunami that hit Japan in the spring of 2011. Another component of the research carried out with this grant involved developing the theoretical tools that are

  8. Stability of Bulk Metallic Glass Structure. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Jain, H.; Williams, D. B.

    2003-06-01

    The fundamental origins of the stability of the (Pd-Ni){sub 80}P{sub 20} bulk metallic glasses (BMGs), a prototype for a whole class of BMG formers, were explored. While much of the properties of their BMGs have been characterized, their glass-stability have not been explained in terms of the atomic and electronic structure. The local structure around all three constituent atoms was obtained, in a complementary way, using extended X-ray absorption fine structure (EXAFS), to probe the nearest neighbor environment of the metals, and extended energy loss fine structure (EXELFS), to investigate the environment around P. The occupied electronic structure was investigated using X-ray photoelectron spectroscopy (XPS). The (Pd-Ni){sub 80}P{sub 20} BMGs receive their stability from cumulative, and interrelated, effects of both atomic and electronic origin. The stability of the (Pd-Ni){sub 80}P{sub 20} BMGs can be explained in terms of the stability of Pd{sub 60}Ni{sub 20}P{sub 20} and Pd{sub 30}Ni{sub 50}P{sub 20}, glasses at the end of BMG formation. The atomic structure in these alloys is very similar to those of the binary phosphide crystals near x=0 and x=80, which are trigonal prisms of Pd or Ni atoms surrounding P atoms. Such structures are known to exist in dense, randomly-packed systems. The structure of the best glass former in this series, Pd{sub 40}Ni{sub 40}P{sub 20} is further described by a weighted average of those of Pd{sub 30}Ni{sub 50}P{sub 20} and Pd{sub 60}Ni{sub 20}P{sub 20}. Bonding states present only in the ternary alloys were found and point to a further stabilization of the system through a negative heat of mixing between Pd and Ni atoms. The Nagel and Tauc criterion, correlating a decrease in the density of states at the Fermi level with an increase in the glass stability, was consistent with greater stability of the Pd{sub x}Ni{sub 80-x}P{sub 20} glasses with respect to the binary alloys of P. A valence electron concentration of 1.8 e/a, which

  9. The structure of nuclei far from stability

    International Nuclear Information System (INIS)

    Zganjar, E.F.

    1993-01-01

    Studies on nuclei near Z=82 contributed to the establishment of a new region of nuclear deformation and a new class of nuclear structure at closed shells. A important aspect of this work is the establishment of the connection between low-lying 0 + states in even endash even nuclei and the occurrence of shape coexistence in the odd-mass neighbors (E0 transitions in 185 Pt, shape coexistence in 184 Pt and 187 Au). A new type of picosecond lifetime measurement system capable of measuring the lifetime of states that decay only by internal conversion was developed and applied to the 186,188 Tl decay to determine the lifetime of the 0 2 + and 2 2 + deformed states in 186,188 Hg. A search for the population of superdeformed states in 192 Hg by the radioactive decay of 192 Tl was accomplished by using a prototype internal pair formation spectrometer

  10. Thin film structures and phase stability

    International Nuclear Information System (INIS)

    Clemens, B.M.; Johnson, W.L.

    1990-01-01

    This was a two day symposium, with invited and contributed papers as well as an evening poster session. The first day concentrated on solid state reactions with invited talks by Lindsay Greer from the University of Cambridge, King Tu from IBM Yorktown Heights, and Carl Thompson from MIT. Professor Greer observed that the diffusion of Zr is 10 6 times slower than that of Ni in amorphous NiZr, confirming that Ni is the mobile species in solid state amorphization. King Tu explained the formation of metastable phases in this film diffusion couples by the concept of maximum rate of free energy change. Carl Thompson discussed the formation of amorphous phases in metal silicon systems, and discussed a two stage nucleation and growth process. The contributed papers also generated discussion on topics such as phase segregation, amorphous silicide formation, room temperature oxidation of silicon, and nucleation during ion beam irradiation. There was a lively poster session on Monday evening with papers on a wide variety of topics covering the general area of thin film science. The second day had sessions Epitaxy and Multilayer Structure I and II, with the morning focussing on epitaxial and heteroepitaxial growth of thin films. Robin Farrow of IBM Almaden led off with an invited talk where he reported on some remarkable success he and his co-workers have had in growing single crystal epitaxial thin films and superlattices of silver, iron, cobalt and platinum on GaAs. This was followed by several talks on epitaxial growth and characterization. The afternoon focused on interfaces and structure of multilayered materials. A session on possible stress origins of the supermodulus effect was highlighted by lively interaction from the audience. Most of the papers presented at the symposium are presented in this book

  11. Micropore Structure of Cement-Stabilized Gold Mine Tailings

    Directory of Open Access Journals (Sweden)

    Joon Kyu Lee

    2018-03-01

    Full Text Available Mine tailings have often to be stabilized by mixing them with cementing agents. In this study, the pore structure of gold tailings stabilized with Portland cement was evaluated by means of mercury intrusion porosimetry. The investigation was conducted on samples prepared with different fractions of tailings and cement as well as on samples activated with elevated temperature curing and chemical (CaCl2 addition. It was observed that all mixed samples exhibit a mono-modal pore size distribution, indicating that the cement-stabilized tailings are characterized by a single-porosity structure. The results also showed that the higher fraction of tailings and cement leads to a dense and finer pore structure. The total porosity of mixture samples decreases with increasing curing temperature and CaCl2 concentration due to the acceleration of hydration reaction.

  12. Photovoltaic performance and stability of fullerene/cerium oxide double electron transport layer superior to single one in p-i-n perovskite solar cells

    Science.gov (United States)

    Xing, Zhou; Li, Shu-Hui; Wu, Bao-Shan; Wang, Xin; Wang, Lu-Yao; Wang, Tan; Liu, Hao-Ran; Zhang, Mei-Lin; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun

    2018-06-01

    Interface engineering that involves in the metal cathodes and the electron transport layers (ETLs) facilitates the simultaneous improvement of device performances and stability in perovskite solar cells (PSCs). Herein, low-temperature solution-processed cerium oxide (CeOx) films are prepared by a facile sol-gel method and employed as the interface layers between [6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) and an Ag back contact to form PC61BM/CeOx double ETLs. The introduction of CeOx enables electron extraction to the Ag electrode and protects the underlying perovskite layer and thus improves the device performance and stability of the p-i-n PSCs. The p-i-n PSCs with double PC61BM/CeOx ETLs demonstrate a maximum power conversion efficiency (PCE) of 17.35%, which is superior to those of the devices with either PC61BM or CeOx single ETLs. Moreover, PC61BM/CeOx devices exhibit excellent stability in light soaking, which is mainly due to the chemically stable CeOx interlayer. The results indicate that CeOx is a promising interface modification layer for stable high-efficiency PSCs.

  13. Highly Dispersed Nickel-Containing Mesoporous Silica with Superior Stability in Carbon Dioxide Reforming of Methane: The Effect of Anchoring

    Directory of Open Access Journals (Sweden)

    Wenjia Cai

    2014-03-01

    Full Text Available A series of nickel-containing mesoporous silica samples (Ni-SiO2 with different nickel content (3.1%–13.2% were synthesized by the evaporation-induced self-assembly method. Their catalytic activity was tested in carbon dioxide reforming of methane. The characterization results revealed that the catalysts, e.g., 6.7%Ni-SiO2, with highly dispersed small nickel particles, exhibited excellent catalytic activity and long-term stability. The metallic nickel particle size was significantly affected by the metal anchoring effect between metallic nickel particles and unreduced nickel ions in the silica matrix. A strong anchoring effect was suggested to account for the remaining of small Ni particle size and the improved catalytic performance.

  14. Structure, stability and behaviour of nucleic acids in ionic liquids

    Science.gov (United States)

    Tateishi-Karimata, Hisae; Sugimoto, Naoki

    2014-01-01

    Nucleic acids have become a powerful tool in nanotechnology because of their conformational polymorphism. However, lack of a medium in which nucleic acid structures exhibit long-term stability has been a bottleneck. Ionic liquids (ILs) are potential solvents in the nanotechnology field. Hydrated ILs, such as choline dihydrogen phosphate (choline dhp) and deep eutectic solvent (DES) prepared from choline chloride and urea, are ‘green’ solvents that ensure long-term stability of biomolecules. An understanding of the behaviour of nucleic acids in hydrated ILs is necessary for developing DNA materials. We here review current knowledge about the structures and stabilities of nucleic acids in choline dhp and DES. Interestingly, in choline dhp, A–T base pairs are more stable than G–C base pairs, the reverse of the situation in buffered NaCl solution. Moreover, DNA triplex formation is markedly stabilized in hydrated ILs compared with aqueous solution. In choline dhp, the stability of Hoogsteen base pairs is comparable to that of Watson–Crick base pairs. Moreover, the parallel form of the G-quadruplex is stabilized in DES compared with aqueous solution. The behaviours of various DNA molecules in ILs detailed here should be useful for designing oligonucleotides for the development of nanomaterials and nanodevices. PMID:25013178

  15. Electrochemical stability of ionic clathrate hydrates and their structural consideration

    International Nuclear Information System (INIS)

    Lee, Wonhee; Lim, Dongwook; Lee, Huen

    2013-01-01

    Although electrochemical stability is an essential factor in relation to the potential applications of ionic clathrate hydrates to solid electrolytes, most studies regarding the proton conductors have focused on their ionic conductivity and thermal stability. Solid electrolytes in various electrochemical devices have to endure the applied potentials; thus, we examined the linear sweep voltammograms of various tetraalkylammonium hydroxide hydrates in order to shed light on the trend of electrochemical stability depending on the hydrate structure. We revealed that the electrochemical stability of Me 4 NOH hydrates is mainly affected by both their ionic concentration and cage occupancy. In particular, the true clathrate structures of β-Me 4 NOH hydrates are more electrochemically stable than their α-forms that possess partially broken hydrogen bonds. We also observed that the binary THF–Pr 4 NOH and pure Bu 4 NOH clathrate hydrates exhibit greater electrochemical stability than those of pure Me 4 NOH hydrates having lower or similar ionic concentrations. These results are considered to arise from the fact that each of the Pr 4 N + and Bu 4 N + ions occupies an extended space comprising four cages, which leads to stabilization of the larger unit, whereas a Me 4 N + ion is completely included only in one cage

  16. Structural stability and electronic structure of YCu ductile ...

    African Journals Online (AJOL)

    We investigate the structural, elastic and electronic properties of cubic YCu intermetallic compound. Which crystallize in the CsCl- B2 type structure, the investigated using the first principle full potential linearized augmented plane wave method (FP-LAPW) within density functional Theory (DFT). We used generalized ...

  17. Superior quality diamond heel inserts improve cutting structure and seal life in abrasive and directional applications

    Energy Technology Data Exchange (ETDEWEB)

    Cobb, Tyler; Scott, Dan; Nelms, Derek [Society of Petroleum Engineers (United States)

    2011-07-01

    In the oil and gas industry, continuous improvements over the last century have led to the development of increasingly efficient drilling equipment. Among the new technologies is the polycrystalline diamond compact bit which has become more efficient than roller cone bits for several applications; the utilization of roller cone bits is now restricted to tough applications such as directional drilling and drilling through hard and abrasive formations. The aim of this paper is to present the development of improved roller cone bits using new designs and diamond inserts of superior quality. Two case studies on the use of improved roller cone bits are presented herein. Results showed that the novel diamond inserts combined with the design improvements provide better wear resistance. This paper demonstrated that roller cone bits have achieved greater reliability and longevity thanks to the new generation of diamond inserts and to design improvements.

  18. Towards a "Golden Standard" for computing globin stability: Stability and structure sensitivity of myoglobin mutants

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2015-01-01

    Fast and accurate computation of protein stability is increasingly important for e.g. protein engineering and protein misfolding diseases, but no consensus methods exist for important proteins such as globins, and performance may depend on the type of structural input given. This paper reports be...

  19. The crystal structure and stability of molybdenum at ultrahigh pressures

    International Nuclear Information System (INIS)

    Jona, F; Marcus, P M

    2005-01-01

    Crystal structures and their stabilities for molybdenum under increasing hydrostatic pressures are investigated by first-principles calculations of the Gibbs free energy. Three structures are considered: body-centred cubic (bcc, the ground state at zero pressure), hexagonal close-packed (hcp) and face-centred cubic (fcc). For each structure and each pressure (up to 8 Mbar) the equilibrium states are found from minima of the Gibbs free energy at zero temperature. The stability is tested by calculating the elastic constants and checking whether they satisfy the appropriate stability conditions. The bcc structure is confirmed to be stable at zero pressure and at 6 Mbar. At and above 6.2 M-bar the ground-state structure changes to hcp, which is found to be stable at 7 M-bar. At 7.7 Mbar another transition occurs, and the ground-state structure changes from hcp to fcc. The fcc structure, which is unstable at zero pressure, becomes metastable over the range from 3 to 7.7 M-bar and becomes the ground state at higher pressures (at least up to 8 Mbar). Direct confirmation of these calculated transition pressures with experiment is not now possible, as the maximum static pressure currently reached experimentally is 5.6 Mbar, where Mo is found to be still in the bcc phase

  20. Differentiable dynamical systems an introduction to structural stability and hyperbolicity

    CERN Document Server

    Wen, Lan

    2016-01-01

    This is a graduate text in differentiable dynamical systems. It focuses on structural stability and hyperbolicity, a topic that is central to the field. Starting with the basic concepts of dynamical systems, analyzing the historic systems of the Smale horseshoe, Anosov toral automorphisms, and the solenoid attractor, the book develops the hyperbolic theory first for hyperbolic fixed points and then for general hyperbolic sets. The problems of stable manifolds, structural stability, and shadowing property are investigated, which lead to a highlight of the book, the \\Omega-stability theorem of Smale. While the content is rather standard, a key objective of the book is to present a thorough treatment for some tough material that has remained an obstacle to teaching and learning the subject matter. The treatment is straightforward and hence could be particularly suitable for self-study. Selected solutions are available electronically for instructors only. Please send email to textbooks@ams.org for more informatio...

  1. Calcium Stabilized And Geogrid Reinforced Soil Structures In Seismic Areas

    International Nuclear Information System (INIS)

    Rimoldi, Pietro; Intra, Edoardo

    2008-01-01

    In many areas of Italy, and particularly in high seismic areas, there is no or very little availability of granular soils: hence embankments and retaining structures are often built using the locally available fine soil. For improving the geotechnical characteristics of such soils and/or for building steep faced structures, there are three possible techniques: calcium stabilization, geogrid reinforcement, and the combination of both ones, that is calcium stabilized and reinforced soil. The present paper aims to evaluate these three techniques in terms of performance, design and construction, by carrying out FEM modeling and stability analyses of the same reference embankments, made up of soil improved with each one of the three techniques, both in static and dynamic conditions. Finally two case histories are illustrated, showing the practical application of the above outlined techniques

  2. Ab initio study on structural stability of uranium carbide

    International Nuclear Information System (INIS)

    Sahoo, B.D.; Joshi, K.D.; Gupta, Satish C.

    2013-01-01

    First principles calculations have been performed using plane wave pseudopotential and full potential linearized augmented plane wave (FP-LAPW) methods to analyze structural, elastic and dynamic stability of UC under hydrostatic compression. Our calculations within pseudopotential method suggest that the rocksalt (B1) structure will transform to body centered orthorhombic (bco) structure at ∼21.5 GPa. The FP-LAPW calculations put this transition at 23 GPa. The transition pressures determined from our calculations though agree reasonably with the experimental value of 27 GPa, the high pressure bco structure suggested by theory differs slightly from the experimentally reported pseudo bco phase. The elastic stability analysis of B1 phase suggests that the B1 to bco transition is driven by the failure of C 44 modulus. This finding is further substantiated by the lattice dynamic calculations which demonstrate that the B1 phase becomes dynamically unstable around the transition pressure and the instability is of long wavelength nature

  3. Uniform Fe{sub 3}O{sub 4} microflowers hierarchical structures assembled with porous nanoplates as superior anode materials for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaoliang [Institute of Electrostatic & Electromagnetic Protection, Mechanical Engineering College, Shijiazhuang 050003 (China); Liu, Yanguo [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao 066004 (China); Arandiyan, Hamidreza [Particles and Catalysis Research Group, School of Chemical Engineering, The University of New South Wales, Sydney, New South Wales 2052 (Australia); Yang, Hongping; Bai, Lu; Mujtaba, Jawayria [Beijing National Center for Electron Microscopy, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Wang, Qingguo; Liu, Shanghe [Institute of Electrostatic & Electromagnetic Protection, Mechanical Engineering College, Shijiazhuang 050003 (China); Sun, Hongyu, E-mail: hyltsun@gmail.com [Beijing National Center for Electron Microscopy, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Department of Micro- and Nanotechnology, Technical University of Denmark, 2800 Kongens Lyngby (Denmark)

    2016-12-15

    Highlights: • Uniform Fe{sub 3}O{sub 4} microflowers hierarchical structures were successfully prepared. • The Fe{sub 3}O{sub 4} microflowers are assembled with porous nanoplates. • Hollow Fe{sub 3}O{sub 4} microspheres exhibit better lithium storage properties than Fe{sub 3}O{sub 4} microspheres. • The good lithium storage properties are attributed to the special structural nature. - Abstract: Uniform Fe{sub 3}O{sub 4} microflowers assembled with porous nanoplates were successfully synthesized by a solvothermal method and subsequent annealing process. The structural and compositional analysis of the Fe{sub 3}O{sub 4} microflowers were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The Bruauer–Emmett–Teller (BET) specific surface area was calculated by the nitrogen isotherm curve and pore size distribution of Fe{sub 3}O{sub 4} microflowers was determined by the Barret–Joyner–Halenda (BJH) method. When evaluated as anode material for lithium-ion batteries, the as-prepared Fe{sub 3}O{sub 4} microflowers electrodes delivered superior capacity, better cycling stability and rate capability than that of Fe{sub 3}O{sub 4} microspheres electrodes. The improved electrochemical performance was attributed to the microscale flowerlike architecture and the porous sheet structural nature.

  4. Vertically aligned carbon nanotubes/diamond double-layered structure for improved field electron emission stability

    Energy Technology Data Exchange (ETDEWEB)

    Yang, L., E-mail: qiaoqin.yang@mail.usask.ca; Yang, Q.; Zhang, C.; Li, Y.S.

    2013-12-31

    A double-layered nanostructure consisting of a layer of vertically aligned Carbon Nanotubes (CNTs) and a layer of diamond beneath has been synthesized on silicon substrate by Hot Filament Chemical Vapor Deposition. The synthesis was achieved by first depositing a layer of diamond on silicon and then depositing a top layer of vertically aligned CNTs by applying a negative bias on the substrate holder. The growth of CNTs was catalyzed by a thin layer of spin-coated iron nitride. The surface morphology and structure of the CNTs/diamond double-layered structure were characterized by Scanning Electron Microscope, Energy Dispersive X-ray spectrum, and Raman Spectroscopy. Their field electron emission (FEE) properties were measured by KEITHLEY 237 high voltage measurement unit, showing much higher FEE current stability than single layered CNTs. - Highlights: • A new double-layered nanostructure consisting of a layer of vertically aligned CNTs and a layer of diamond beneath has been synthesized by hot filament chemical vapor deposition. • This double-layered structure exhibits superior field electron emission stability. • The improvement of emission stability is due to the combination of the unique properties of diamond and CNTs.

  5. Structural Stability and Hydraulic Conductivity Of Nkpologu Sandy ...

    African Journals Online (AJOL)

    Studies were conducted in the runoff plots at the University of Nigeria Nsukka Teaching and Resesarch Farm in 2010 and 2011 to monitor the changes in structural stability and saturated hydraulic conductivity (Ksat) of Nkpologu sandy loam soil under different cover management practices. The management practices were ...

  6. The structure of nuclei far from beta stability

    International Nuclear Information System (INIS)

    Zganjar, E.F.

    1992-01-01

    This report discusses: shape coexistence and intruder states; the electric monopole transition in nuclei; gold isotopes; platinum isotopes; iridium isotopes; search for superdeformation in 192 Hg; search for population of superformed states in 194 Pb using 194 Bi β + -decay; detailed nuclear structure studies far from stability; prototype internal pair spectrometer; and picosecond lifetime spectrometer

  7. The stability of gabion walls for earth retaining structures

    OpenAIRE

    Mahyuddin Ramli; T.J.r. Karasu; Eethar Thanon Dawood

    2013-01-01

    The stability of earth retaining structures in flood prone areas has become a serious problem in many countries. The two most basic causes of failure arising from flooding are scouring and erosion of the foundation of the superstructure. Hence, a number of structures like bridges employ scour-arresting devices, e.g., gabions to acting on the piers and abutments during flooding. Research was therefore undertaken to improve gabion resistance against lateral movement by means of an interlocking ...

  8. Early structure of LPG partially premixed conically stabilized flames

    KAUST Repository

    Elbaz, Ayman M.

    2013-01-01

    This paper presents experimental investigation of LPG partially premixed turbulent flames stabilized within a conical nozzle burner under constant degree of partial premixing. The stability limits and mean flame structure are presented based on the mean gas temperature and the concentration of CO, O 2, NO, and HC at the flame early region of reaction. The investigation covered the influence of the nozzle cone angle, the jet exit velocity and the jet equivalence ratio. The stability results show that the flames with cone are more stable than those without cone. For conical stabilized flames, the stability results exhibit three different sensitivity regions between the jet velocity and equivalence ratio. The inflame measurements prove that the flame stability could be attributed to the triple flame structure at the flame leading edge. The data show that the triple flame structure is influenced by cone angle, the jet velocity and the equivalence ratio. The flame is believed to be controlled by the recirculation flow inside the cone. Increasing the cone angle induced higher air entrainment to the reaction zone as depicted by a higher O 2 concentration within the flame leading edge. Increasing the jet velocity to a certain limit enhances the intensity of combustion at the flame leading edge, while excessive increase in jet velocity reduces this intensity. At a fixed jet velocity the higher the equivalence ratio, the higher the amount of fuel diffused and engulfed to the reaction zone, the more delay of the combustion completion and the higher the emission concentrations of the flame. © 2012 Elsevier Inc.

  9. The construction of hierarchical structure on Ti substrate with superior osteogenic activity and intrinsic antibacterial capability

    Science.gov (United States)

    Huang, Ying; Zha, Guangyu; Luo, Qiaojie; Zhang, Jianxiang; Zhang, Feng; Li, Xiaohui; Zhao, Shifang; Zhu, Weipu; Li, Xiaodong

    2014-01-01

    The deficient osseointegration and implant-associated infections are pivotal issues for the long-term clinical success of endosteal Ti implants, while development of functional surfaces that can simultaneously overcome these problems remains highly challenging. This study aimed to fabricate sophisticated Ti implant surface with both osteogenic inducing activity and inherent antibacterial ability simply via tailoring surface topographical features. Micro/submciro/nano-scale structure was constructed on Ti by three cumulative subtractive methods, including sequentially conducted sandblasting as well as primary and secondary acid etching treatment. Topographical features of this hierarchical structure can be well tuned by the time of the secondary acid treatment. Ti substrate with mere micro/submicro-scale structure (MS0-Ti) served as a control to examine the influence of hierarchical structures on surface properties and biological activities. Surface analysis indicated that all hierarchically structured surfaces possessed exactly the same surface chemistry as that of MS0-Ti, and all of them showed super-amphiphilicity, high surface free energy, and high protein adsorption capability. Biological evaluations revealed surprisingly antibacterial ability and excellent osteogenic activity for samples with optimized hierarchical structure (MS30-Ti) when compared with MS0-Ti. Consequently, for the first time, a hierarchically structured Ti surface with topography-induced inherent antibacterial capability and excellent osteogenic activity was constructed. PMID:25146099

  10. Large Piezoelectric Strain with Superior Thermal Stability and Excellent Fatigue Resistance of Lead-Free Potassium Sodium Niobate-Based Grain Orientation-Controlled Ceramics.

    Science.gov (United States)

    Quan, Yi; Ren, Wei; Niu, Gang; Wang, Lingyan; Zhao, Jinyan; Zhang, Nan; Liu, Ming; Ye, Zuo-Guang; Liu, Liqiang; Karaki, Tomoaki

    2018-03-19

    Environment-friendly lead-free piezoelectric materials with high piezoelectric response and high stability in a wide temperature range are urgently needed for various applications. In this work, grain orientation-controlled (with a 90% ⟨001⟩ c -oriented texture) (K,Na)NbO 3 -based ceramics with a large piezoelectric response ( d 33 *) = 505 pm V -1 and a high Curie temperature ( T C ) of 247 °C have been developed. Such a high d 33 * value varies by less than 5% from 30 to 180 °C, showing a superior thermal stability. Furthermore, the high piezoelectricity exhibits an excellent fatigue resistance with the d 33 * value decreasing within only by 6% at a field of 20 kV cm -1 up to 10 7 cycles. These exceptional properties can be attributed to the vertical morphotropic phase boundary and the highly ⟨001⟩ c -oriented textured ceramic microstructure. These results open a pathway to promote lead-free piezoelectric ceramics as a viable alternative to lead-based piezoceramics for various practical applications, such as actuators, transducers, sensors, and acoustic devices, in a wide temperature range.

  11. Strength Analysis of Coconut Fiber Stabilized Earth for Farm Structures

    Science.gov (United States)

    Enokela, O. S.; P. O, Alada

    2012-07-01

    Investigation of the strength characteristic of soil from alluvial deposit of River Benue in makurdi stabilized with coconut fiber as a stabilizer was carried as local building material for farm structure. Processed coconut fibers were mixed with the soil at four different mix ratios of 1% fiber, 2% fiber, 3% fiber and 4% fiber by percentage weight with 0% fiber as control. Compaction test and compressive strength were carried out on the various stabilizing ratio. From the compaction test, the correlation between the maximum dry density and optimum moisture content is a second order polynomial with a coefficient of 63% obtained at1.91kg/m3and 20.0% respectively while the compressive strength test shows an optimum failure load of 8.62N/mm2 at 2%fibre:100% soil mix ratio at 2.16 maximum dry density.

  12. Uniform Fe3O4 microflowers hierarchical structures assembled with porous nanoplates as superior anode materials for lithium-ion batteries

    DEFF Research Database (Denmark)

    Wang, Xiaoliang; Liu, Yanguo; Arandiyan, Hamidreza

    2016-01-01

    as anode material for lithium-ion batteries, the as-prepared Fe3O4 microflowers electrodes delivered superior capacity, better cycling stability and rate capability than that of Fe3O4 microspheres electrodes. The improved electrochemical performance was attributed to the microscale flowerlike architecture...

  13. Imperfectly geometric shapes of nanograting structures as solar absorbers with superior performance for solar cells.

    Science.gov (United States)

    Nguyen-Huu, Nghia; Cada, Michael; Pištora, Jaromír

    2014-03-10

    The expectation of perfectly geometric shapes of subwavelength grating (SWG) structures such as smoothness of sidewalls and sharp corners and nonexistence of grating defects is not realistic due to micro/nanofabrication processes. This work numerically investigates optical properties of an optimal solar absorber comprising a single-layered silicon (Si) SWG deposited on a finite Si substrate, with a careful consideration given to effects of various types of its imperfect geometry. The absorptance spectra of the solar absorber with different geometric shapes, namely, the grating with attached nanometer-sized features at the top and bottom of sidewalls and periodic defects within four and ten grating periods are investigated comprehensively. It is found that the grating with attached features at the bottom absorbs more energy than both the one at the top and the perfect grating. In addition, it is shown that the grating with defects in each fourth period exhibits the highest average absorptance (91%) compared with that of the grating having defects in each tenth period (89%), the grating with attached features (89%), and the perfect one (86%). Moreover, the results indicate that the absorptance spectrum of the imperfect structures is insensitive to angles of incidence. Furthermore, the absorptance enhancement is clearly demonstrated by computing magnetic field, energy density, and Poynting vector distributions. The results presented in this study prove that imperfect geometries of the nanograting structure display a higher absorptance than the perfect one, and provide such a practical guideline for nanofabrication capabilities necessary to be considered by structure designers.

  14. Towards a "Golden Standard" for computing globin stability: Stability and structure sensitivity of myoglobin mutants.

    Science.gov (United States)

    Kepp, Kasper P

    2015-10-01

    Fast and accurate computation of protein stability is increasingly important for e.g. protein engineering and protein misfolding diseases, but no consensus methods exist for important proteins such as globins, and performance may depend on the type of structural input given. This paper reports benchmarking of six protein stability calculators (POPMUSIC 2.1, I-Mutant 2.0, I-Mutant 3.0, CUPSAT, SDM, and mCSM) against 134 experimental stability changes for mutations of sperm-whale myoglobin. Six different high-resolution structures were used to test structure sensitivity that may impair protein calculations. The trend accuracy of the methods decreased as I-Mutant 2.0 (R=0.64-0.65), SDM (R=0.57-0.60), POPMUSIC2.1 (R=0.54-0.57), I-Mutant 3.0 (R=0.53-0.55), mCSM (R=0.35-0.47), and CUPSAT (R=0.25-0.48). The mean signed errors increased as SDMMean absolute errors increased as I-Mutant 2.0Structural sensitivity increased as I-Mutant 3.0 (0.05)structures and reveal structure-dependent effects even in the near-atomic resolution limit. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Importance of structural stability to success of mourning dove nests

    Science.gov (United States)

    Coon, R.A.; Nichols, J.D.; Percival, H.F.

    1981-01-01

    Studies of nest-site selection and nesting habitats often involve a "characterization" of nests and of habitats in which nests are found. Our objective in the present work is to identify nest-site characteristics that are associated with variation in components of Mourning Dove (Zenaida macroura) fitness (e.g. the probability of a nest succeeding), as opposed to simply "characterizing" dove nest sites. If certain nest- site characteristics affect the probability that a nest will succeed, then we suspect that these characteristics will be associated with either concealment (the probability of detection by certain predators) or structural stability (the probability of eggs or entire nests falling to the ground as a result of wind, rain storms, parental activity, etc.). Although other workers agree that structural stability is an important determinant of Mourning Dove nesting success (e.g. McClure 1944: 384; Woolfenden and Rohwer 1969: 59), we are aware of no actual tests of this hypothesis.

  16. Formation, structure, and stability of MHD intermediate shocks

    International Nuclear Information System (INIS)

    Wu, C.C.

    1990-01-01

    Contrary to the usual belief that MHD intermediate shocks are extraneous, the author has recently shown by numerical solutions of dissipative MHD equations that intermediate shocks are admissible and can be formed through nonlinear wave steepening from continuous waves. In this paper, the formation, structure and stability of intermediate shocks in dissipative MHD are considered in detail. The differences between the conventional theory and his are pointed out and clarified. He shows that all four types of intermediate shocks can be formed from smooth waves. He also shows that there are free parameters in the structure of the intermediate shocks, and that these parameters are related to the shock stability. In addition, he shows that a rotational discontinuity can not exist with finite width, indicate how this is related to the existence of time-dependent intermediate shocks, and show why the conventional theory is not a good approximation to dissipative MHD solutions whenever there is rotation in magnetic field

  17. Solvent Stability Study with Thermodynamic Analysis and Superior Biocatalytic Activity of Burkholderia cepacia Lipase Immobilized on Biocompatible Hybrid Matrix of Poly(vinyl alcohol) and Hypromellose.

    Science.gov (United States)

    Badgujar, Kirtikumar C; Bhanage, Bhalchandra M

    2014-12-26

    In the present study, we have synthesized a biocompatible hybrid carrier of hypromellose (HY) and poly(vinyl alcohol) (PVA) for immobilization of Burkholderia cepacia lipase (BCL). The immobilized biocatalyst HY:PVA:BCL was subjected to determination of half-life time (τ) and deactivation rate constant (K(D)) in various organic solvents. Biocatalyst showed higher τ-value in a nonpolar solvent like cyclohexane (822 h) as compared to that of a polar solvent such as acetone (347 h), which signifies better compatibility of biocatalyst in the nonpolar solvents. Furthermore, the K(D)-value was found to be less in cyclohexane (0.843 × 10(-3)) as compared to acetone (1.997 × 10(-3)), indicating better stability in the nonpolar solvents. Immobilized-BCL (35 mg) was sufficient to achieve 99% conversion of phenethyl butyrate (natural constituent of essential oils and has wide industrial applications) using phenethyl alcohol (2 mmol) and vinyl butyrate (6 mmol) at 44 °C in 3 h. The activation energy (E(a)) was found to be lower for immobilized-BCL than crude-BCL, indicating better catalytic efficiency of immobilized lipase BCL. The immobilized-BCL reported 6-fold superior biocatalytic activity and 8 times recyclability as compared to crude-BCL. Improved catalytic activity of immobilized enzyme in nonpolar media was also supported by thermodynamic activation parameters such as enthalpy (ΔH(⧧)), entropy (ΔS(⧧)) and Gibb's free energy (ΔG(⧧)) study, which showed that phenethyl butyrate synthesis catalyzed by immobilized-BCL was feasible as compared to crude-BCL. The present work explains a thermodynamic investigation and superior biocatalytic activity for phenethyl butyrate synthesis using biocompatible immobilized HY:PVA:BCL in nonaqueous media for the first time.

  18. Structural stability of interaction networks against negative external fields

    Science.gov (United States)

    Yoon, S.; Goltsev, A. V.; Mendes, J. F. F.

    2018-04-01

    We explore structural stability of weighted and unweighted networks of positively interacting agents against a negative external field. We study how the agents support the activity of each other to confront the negative field, which suppresses the activity of agents and can lead to collapse of the whole network. The competition between the interactions and the field shape the structure of stable states of the system. In unweighted networks (uniform interactions) the stable states have the structure of k -cores of the interaction network. The interplay between the topology and the distribution of weights (heterogeneous interactions) impacts strongly the structural stability against a negative field, especially in the case of fat-tailed distributions of weights. We show that apart from critical slowing down there is also a critical change in the system structure that precedes the network collapse. The change can serve as an early warning of the critical transition. To characterize changes of network structure we develop a method based on statistical analysis of the k -core organization and so-called "corona" clusters belonging to the k -cores.

  19. PWL approximation of nonlinear dynamical systems, part I: structural stability

    International Nuclear Information System (INIS)

    Storace, M; De Feo, O

    2005-01-01

    This paper and its companion address the problem of the approximation/identification of nonlinear dynamical systems depending on parameters, with a view to their circuit implementation. The proposed method is based on a piecewise-linear approximation technique. In particular, this paper describes the approximation method and applies it to some particularly significant dynamical systems (topological normal forms). The structural stability of the PWL approximations of such systems is investigated through a bifurcation analysis (via continuation methods)

  20. The structure of nuclei far from beta stability

    International Nuclear Information System (INIS)

    Zganjar, E.F.

    1991-01-01

    This report discusses the structural of nuclei for from beta stability of the following isotopes: thallium isotopes; mercury isotopes; gold isotopes; platinum isotopes; iridium isotopes; the neutron deficient rare-earth, Z = 57-72 region, and the neutron deficient Z = 50-56 region; also discussed are in-beam spectroscopy in the A = 70 region and shape coexistence, intruder states, and EO transitions

  1. Structures and Stability of Metal Amidoboranes (MAB): Density Functional Calculations

    International Nuclear Information System (INIS)

    Li Cailin; Wu Chaoling; Chen Yungui; Zhou Jingjing; Zheng Xin; Pang Lijuan; Deng Gang

    2010-01-01

    Molecule geometry structures, frequencies, and energetic stabilities of ammonia borane (AB, NH 3 BH 3 ) and metal amidoboranes (MAB, MNH 2 BH 3 ), formed by substituting H atom in AB with one of main group metal atoms, have been investigated by density-functional theory and optimized at the B3LYP levels with 6-311G++ (3df, 3pd) basic set. Their structural parameters and infrared spectrum characteristic peaks have been predicted, which should be the criterion of a successfully synthesized material. Several parameters such as binding energies, vibrational frequencies, and the energy gaps between the HOMO and the LUMO have been adopted to characterize and evaluate their structure stabilities. It is also found that the binding energies and HOMO-LUMO energy gaps of the MAB obviously change with the substitution of the atoms. MgAB has the lowest binding energy and is easier to decompose than any other substitutional structures under same conditions, while CaAB has the highest chemical activity. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  2. Structural stability, electronic structure and mechanical properties of actinide carbides AnC (An = U, Np)

    International Nuclear Information System (INIS)

    Manikandan, M.; Santhosh, M.; Rajeswarapalanichamy, R.

    2016-01-01

    Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of actinide carbides AnC (An=U, Np) for three different crystal structures, namely NaCl, CsCl and ZnS. Among the considered structures, NaCl structure is found to be the most stable structure for these carbides at normal pressure. A pressure induced structural phase transition from NaCl to ZnS is observed. The electronic structure reveals that these carbides are metals. The calculated elastic constants indicate that these carbides are mechanically stable at normal pressure.

  3. The stability of gabion walls for earth retaining structures

    Directory of Open Access Journals (Sweden)

    Mahyuddin Ramli

    2013-12-01

    Full Text Available The stability of earth retaining structures in flood prone areas has become a serious problem in many countries. The two most basic causes of failure arising from flooding are scouring and erosion of the foundation of the superstructure. Hence, a number of structures like bridges employ scour-arresting devices, e.g., gabions to acting on the piers and abutments during flooding. Research was therefore undertaken to improve gabion resistance against lateral movement by means of an interlocking configuration instead of the conventional stack-and-pair system. This involved simulating lateral thrusts against two dimensionally identical retaining wall systems configured according to the rectangular and hexagonal gabion type. The evolution of deformation observed suggested that the interlocking design exhibits better structural integrity than the conventional box gabion-based wall in resisting lateral movement and therefore warrants consideration for use as an appropriate scour-arresting device for earth retaining structures.

  4. Elastic stability of biaxially loaded longitudinally stiffened composite structures.

    Science.gov (United States)

    Viswanathan, A. V.; Tamekuni, M.; Tripp, L. L.

    1973-01-01

    A linear analysis method is presented for the elastic stability of structures of uniform cross section, that may be idealized as an assemblage of laminated plate-strips, flat and curved, and beams. Each plate-strip and beam covers the entire length of the structure and is simply supported on the edges normal to the longitudinal axis. Arbitrary boundary conditions may be specified on any external longitudinal side of plate-strips. The structure or selected plate-strips may be loaded in any desired combination of inplane biaxial loads. The analysis simultaneously considers all modes of instability and is applicable for the buckling of laminated composite structures. Some numerical results are presented to indicate possible applications.

  5. Contribution of simple saccharides to the stabilization of amyloid structure

    International Nuclear Information System (INIS)

    Fung, Justin; Darabie, Audrey A.; McLaurin, JoAnne

    2005-01-01

    The use of osmolytes or chaperones to stabilize proteins/peptides that misfold in neurodegenerative diseases is an attractive concept for drug development. We have investigated the role of a series of small carbohydrates for protection of the natively structured Alzheimer's amyloid-β peptides (Aβ). Using circular dichroism spectroscopy to follow the β-structural transitions and electron microscopy to examine tertiary structural characteristics, we demonstrate that the hydrogen bonding capacity of the carbohydrate determines the inhibition or promotion of fibrillogenesis. Three sugar molecules that vary only in their distribution of potential H-bonding partners promote various structural changes in Aβ. Two of these sugar molecules are excluded from Aβ during aggregation and promote mature fibre growth, while the other binds Aβ promoting nucleation and the accumulation of protofibrils. Our studies suggest that utilization of a combinatorial strategy to alter H-bonding capacity across a simple carbohydrate molecule may represent a novel drug design strategy

  6. Synthesis, electrochemistry, STM investigation of oligothiophene self-assemblies with superior structural order and electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Kuo, Cheng-Yu [C-PCS, Chemistry Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Liu, Yinghao; Yarotski, Dmitry [Center of Integrated Nanotechnologies, Materials Physics and Application Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Li, Hao [Theory Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Xu, Ping; Yen, Hung-Ju [C-PCS, Chemistry Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Tretiak, Sergei, E-mail: serg@lanl.gov [Theory Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Wang, Hsing-Lin, E-mail: hwang@lanl.gov [C-PCS, Chemistry Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2016-12-20

    validated by our computational results suggesting different interaction patterns of oligothiophenes with odd numbered and even numbered thiophene repeat units placed in a dimer configuration. Observed correlations between oligomer geometry and structural order of monolayer assembly elucidate important structure–property relationships and have implications for these molecular structures in organic optoelectronic devices and energy devices.

  7. Cubic Crystal-Structured SnTe for Superior Li- and Na-Ion Battery Anodes.

    Science.gov (United States)

    Park, Ah-Ram; Park, Cheol-Min

    2017-06-27

    A cubic crystal-structured Sn-based compound, SnTe, was easily synthesized using a solid-state synthetic process to produce a better rechargeable battery, and its possible application as a Sn-based high-capacity anode material for Li-ion batteries (LIBs) and Na-ion batteries (NIBs) was investigated. The electrochemically driven phase change mechanisms of the SnTe electrodes during Li and Na insertion/extraction were thoroughly examined utilizing various ex situ analytical techniques. During Li insertion, SnTe was converted to Li 4.25 Sn and Li 2 Te; meanwhile, during Na insertion, SnTe experienced a sequential topotactic transition to Na x SnTe (x ≤ 1.5) and conversion to Na 3.75 Sn and Na 2 Te, which recombined into the original SnTe phase after full Li and Na extraction. The distinctive phase change mechanisms provided remarkable electrochemical Li- and Na-ion storage performances, such as large reversible capacities with high Coulombic efficiencies and stable cyclabilities with fast C-rate characteristics, by preparing amorphous-C-decorated nanostructured SnTe-based composites. Therefore, SnTe, with its interesting phase change mechanisms, will be a promising alternative for the oncoming generation of anode materials for LIBs and NIBs.

  8. Structure of Dynamic, Taxol-Stabilized, and GMPPCP-Stabilized Microtubule.

    Science.gov (United States)

    Ginsburg, Avi; Shemesh, Asaf; Millgram, Abigail; Dharan, Raviv; Levi-Kalisman, Yael; Ringel, Israel; Raviv, Uri

    2017-09-14

    Microtubule (MT) is made of αβ-tubulin heterodimers that dynamically assemble into a hollow nanotube composed of straight protofilaments. MT dynamics is facilitated by hydrolysis of guanosine-5'-triphosphate (GTP) and can be inhibited by either anticancer agents like taxol or the nonhydrolyzable GTP analogues like GMPPCP. Using high-resolution synchrotron X-ray scattering, we have measured and analyzed the scattering curves from solutions of dynamic MT (in other words, in the presence of excess GTP and free of dynamic-inhibiting agents) and examined the effect of two MT stabilizers: taxol and GMPPCP. Previously, we have analyzed the structure of dynamic MT by docking the atomic model of tubulin dimer onto a 3-start left handed helical lattice, derived from the PDB ID 3J6F . 3J6F corresponds to a MT with 14 protofilaments. In this paper, we took into account the possibility of having MT structures containing between 12 and 15 protofilaments. MTs with 12 protofilaments were never observed. We determined the radii, the pitch, and the distribution of protofilament number that best fit the scattering data from dynamic MT or stabilized MT by taxol or GMPPCP. We found that the protofilament number distribution shifted when the MT was stabilized. Taxol increased the mass fraction of MT with 13 protofilaments and decreased the mass fraction of MT with 14 protofilaments. GMPPCP reduced the mass fraction of MT with 15 protofilaments and increased the mass fraction of MT with 14 protofilaments. The pitch, however, remained unchanged regardless of whether the MT was dynamic or stabilized. Higher tubulin concentrations increased the fraction of dynamic MT with 14 protofilaments.

  9. Facile synthesis of core–shell structured PANI-Co{sub 3}O{sub 4} nanocomposites with superior electrochemical performance in supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Hai, Zhenyin [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China); Gao, Libo [Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Hong Kong SAR, Kowloon 999077 (Hong Kong); Zhang, Qiang [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China); Xu, Hongyan [School of Materials Science and Engineering, North University of China, Taiyuan, Shanxi 030051 (China); Cui, Danfeng; Zhang, Zengxing [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China); Tsoukalas, Dimitris [Department of Applied Physics, National Technical University of Athens, Zografou GR-15780 (Greece); Tang, Jun; Yan, Shubin [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China); Xue, Chenyang, E-mail: xuechenyang@nuc.edu.cn [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China)

    2016-01-15

    Graphical abstract: - Highlights: • PANI-Co{sub 3}O{sub 4} is synthesized by carbon-assisted and in situ polymerization methods. • PANI coating improves the properties of Co{sub 3}O{sub 4} affecting electrochemical performance. • The nanocomposites exhibit a high specific capacitance of 1184 F g{sup −1} at 1.25 A g{sup −1}. - Abstract: Core–shell structured PANI-Co{sub 3}O{sub 4} nanocomposites for supercapacitor applications were synthesized by combination of carbon-assisted method and in situ polymerization method. The crystalline structure, optical band gap, morphology, and hydrophilic property, as the major factors affecting the performances of supercapacitors, were investigated by X-ray diffraction (XRD), UV–vis spectrophotometry (UV–vis), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and water contact angle (WCA). The core–shell structured PANI-Co{sub 3}O{sub 4} nanocomposites are characterized by amorphous PANI, small bandgaps, large surface area and favorable hydrophilicity, which indicates the superior electrochemical performances of the nanocomposites as electrode material for supercapacitors. Cyclic voltammetry (CV), galvanostatic charge/discharge and electrochemical impedance spectroscopy (EIS) measurements were conducted in 6 M KOH aqueous solution to evaluate the electrochemical performances. The results shows that core–shell structured PANI-Co{sub 3}O{sub 4} nanocomposites exhibit a high specific capacitance of 1184 F g{sup −1} at 1.25 A g{sup −1}, excellent cycling stability of a capacitance retention of 84.9% after 1000 galvanostatic charge/discharge cycles, good electrical conductivity and ion diffusion behavior.

  10. Alternate superior Julia sets

    International Nuclear Information System (INIS)

    Yadav, Anju; Rani, Mamta

    2015-01-01

    Alternate Julia sets have been studied in Picard iterative procedures. The purpose of this paper is to study the quadratic and cubic maps using superior iterates to obtain Julia sets with different alternate structures. Analytically, graphically and computationally it has been shown that alternate superior Julia sets can be connected, disconnected and totally disconnected, and also fattier than the corresponding alternate Julia sets. A few examples have been studied by applying different type of alternate structures

  11. Structure and stability of charged colloid-nanoparticle mixtures

    Science.gov (United States)

    Weight, Braden M.; Denton, Alan R.

    2018-03-01

    Physical properties of colloidal materials can be modified by addition of nanoparticles. Within a model of like-charged mixtures of particles governed by effective electrostatic interactions, we explore the influence of charged nanoparticles on the structure and thermodynamic phase stability of charge-stabilized colloidal suspensions. Focusing on salt-free mixtures of particles of high size and charge asymmetry, interacting via repulsive Yukawa effective pair potentials, we perform molecular dynamics simulations and compute radial distribution functions and static structure factors. Analysis of these structural properties indicates that increasing the charge and concentration of nanoparticles progressively weakens correlations between charged colloids. We show that addition of charged nanoparticles to a suspension of like-charged colloids can induce a colloidal crystal to melt and can facilitate aggregation of a fluid suspension due to attractive van der Waals interactions. We attribute the destabilizing influence of charged nanoparticles to enhanced screening of electrostatic interactions, which weakens repulsion between charged colloids. This interpretation is consistent with recent predictions of an effective interaction theory of charged colloid-nanoparticle mixtures.

  12. Structure and stabilization of hydrogen-rich transverse.

    Energy Technology Data Exchange (ETDEWEB)

    Lyra, Sgouria [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Wilde, B [Georgia Inst. of Technology, Atlanta, GA (United States); Kolla, Hemanth [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Seitzman, J. [Georgia Inst. of Technology, Atlanta, GA (United States); Lieuwen, T. C. [Georgia Inst. of Technology, Atlanta, GA (United States); Chen, Jacqueline H. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2014-07-01

    This paper reports the results of a joint experimental and numerical study of the ow characteristics and flame stabilization of a hydrogen rich jet injected normal to a turbulent, vitiated cross ow of lean methane combustion products. Simultaneous high-speed stereoscopic PIV and OH PLIF measurements were obtained and analyzed alongside three-dimensional direct numerical simulations of inert and reacting JICF with detailed H2/CO chemistry. Both the experiment and the simulation reveal that, contrary to most previous studies of reacting JICF stabilized in low-to-moderate temperature air cross ow, the present conditions lead to an autoigniting, burner-attached flame that initiates uniformly around the burner edge. Significant asymmetry is observed, however, between the reaction zones located on the windward and leeward sides of the jet, due to the substantially different scalar dissipation rates. The windward reaction zone is much thinner in the near field, while also exhibiting significantly higher local and global heat release than the much broader reaction zone found on the leeward side of the jet. The unsteady dynamics of the windward shear layer, which largely control the important jet/cross flow mixing processes in that region, are explored in order to elucidate the important flow stability implications arising in the reacting JICF. Vorticity spectra extracted from the windward shear layer reveal that the reacting jet is globally unstable and features two high frequency peaks, including a fundamental mode whose Strouhal number of ~0.7 agrees well with previous non-reacting JICF stability studies. The paper concludes with an analysis of the ignition, ame stabilization, and global structure of the burner-attached flame. Chemical explosive mode analysis (CEMA) shows that the entire windward shear layer, and a large region on the leeward side of the jet, are highly explosive prior to ignition and are dominated by non-premixed flame structures after

  13. Core–shell structure carbon coated ferric oxide (Fe{sub 2}O{sub 3}@C) nanoparticles for supercapacitors with superior electrochemical performance

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Yipeng [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Zhang, Haiyan [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangzhou 510006 (China); Chen, Yiming, E-mail: chenym@gdut.edu.cn [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangzhou 510006 (China); Deng, Peng; Huang, Zhikun [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Liu, Liying; Qian, Yannan; Li, Yunyong [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangzhou 510006 (China); Li, Qingyu [School of Chemistry and Chemistry Engineering, Guangxi Normal University, Guilin 541004 (China)

    2015-08-05

    Highlights: • Fe{sub 2}O{sub 3}@C was prepared by using arc discharge method followed by heat treatment. • KOH activation made the core–shell structure Fe{sub 2}O{sub 3}@C porous. • The activated-Fe{sub 2}O{sub 3}@C supercapacitor exhibited superior electrochemical performance. - Abstract: Core–shell structure carbon coated ferric oxide nanoparticles (Fe{sub 2}O{sub 3}@C) were fabricated by the oxidation of carbon coated iron nanoparticles (Fe@C) prepared by a direct current carbon arc discharge method. Porous activated-Fe{sub 2}O{sub 3}@C was prepared by KOH activation of Fe{sub 2}O{sub 3}@C at the temperature of 750 °C. X-ray diffraction analysis (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were employed to characterize the structure and morphology of the Fe{sub 2}O{sub 3}@C and activated-Fe{sub 2}O{sub 3}@C. The specific surface area and pore size distribution of the samples were also tested. The activated-Fe{sub 2}O{sub 3}@C electrodes exhibited good electrochemical performance with a maximum specific capacitance of 612 F g{sup −1} at the charge/discharge current density of 0.5 A g{sup −1} with 5 M NaOH electrolyte. After 10,000 cycling DC tests at the charge/discharge current density of 4 A g{sup −1}, a high level specific capacitance of 518 F g{sup −1} was obtained (90.6% retention of the initial capacity), suggesting excellent long-term cycling stability.

  14. Decentralized stabilization of semi-active vibrating structures

    Science.gov (United States)

    Pisarski, Dominik

    2018-02-01

    A novel method of decentralized structural vibration control is presented. The control is assumed to be realized by a semi-active device. The objective is to stabilize a vibrating system with the optimal rates of decrease of the energy. The controller relies on an easily implemented decentralized switched state-feedback control law. It uses a set of communication channels to exchange the state information between the neighboring subcontrollers. The performance of the designed method is validated by means of numerical experiments performed for a double cantilever system equipped with a set of elastomers with controlled viscoelastic properties. In terms of the assumed objectives, the proposed control strategy significantly outperforms the passive damping cases and is competitive with a standard centralized control. The presented methodology can be applied to a class of bilinear control systems concerned with smart structural elements.

  15. Structural stability analysis considerations in fusion reactor plasma chamber design

    International Nuclear Information System (INIS)

    Delaney, M.J.; Cramer, B.A.

    1978-01-01

    This paper presents an approach to analyzing a toroidal plasma chamber for the prevention of both static and dynamic buckling. Results of stability analyses performed for the doublet shaped plasma chamber of the General Atomic 3.8 meter radius TNS ignition test reactor are presented. Load conditions are the static external atmospheric pressure load and the dynamic plasma disruption pulse load. Methods for analysis of plasma chamber structures are presented for both types of load. Analysis for static buckling is based on idealizing the plasma chamber into standard structural shapes and applying classical cylinder and circular torus buckling equations. Results are verified using the Buckling of Shells of Revolution (BOSOR4) finite difference computer code. Analysis for the dynamic loading is based on a pulse buckling analysis method for circular cylinders

  16. Preparation, structure and thermal stability of Cu/LDPE nanocomposites

    International Nuclear Information System (INIS)

    Xia Xianping; Cai Shuizhou; Xie Changsheng

    2006-01-01

    Copper/low-density-polyethylene (Cu/LDPE) nanocomposites have been prepared using a melt-blending technique in a single-screw extruder. Their structure and thermal characteristics are characterized by using X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The results of XRD, SEM and SEM-EDS Cu-mapping show that the nanocomposites are a hybrid of the polymer and the copper nanoparticles, and the copper nanoparticles aggregates were distributed uniformly in general. The results also show that the nanocomposites and the base resin, the pure LDPE, have a different crystalline structure and the same oriented characteristics owing to the presence of copper nanoparticles and the same cooling condition. The results of DSC show that the incorporation of copper nanoparticles can decrease the melting temperatures but increase the crystallization temperatures, and can lower the crystallinity degree of the matrix of the composites. The results of TGA show that the presence of copper nanoparticles can improve the thermal stability of the nanocomposites, a maximum increment of 18 deg. C is obtained comparing with the pure LDPE in this experiment. The results of TGA also show that the influence of the incorporation of the copper nanoparticles on the thermal stability of the Cu/LDPE nanocomposites is different from that of the non-metal nanoparticles on the polymer/non-metal nanocomposites and the copper microparticles on the Cu/LDPE microcomposites. The increase of the thermal stability of the Cu/LDPE nanocomposites will decrease when the content of the copper nanoparticles is more than 2 wt.%. The difference might be caused by the fact that the activity of the metal nanoparticles is much more higher than that of the non-metal nanoparticles, and the different size effect the different copper particles has

  17. Nonlinear Stability and Structure of Compressible Reacting Mixing Layers

    Science.gov (United States)

    Day, M. J.; Mansour, N. N.; Reynolds, W. C.

    2000-01-01

    The parabolized stability equations (PSE) are used to investigate issues of nonlinear flow development and mixing in compressible reacting shear layers. Particular interest is placed on investigating the change in flow structure that occurs when compressibility and heat release are added to the flow. These conditions allow the 'outer' instability modes- one associated with each of the fast and slow streams-to dominate over the 'central', Kelvin-Helmholtz mode that unaccompanied in incompressible nonreacting mixing layers. Analysis of scalar probability density functions in flows with dominant outer modes demonstrates the ineffective, one-sided nature of mixing that accompany these flow structures. Colayer conditions, where two modes have equal growth rate and the mixing layer is formed by two sets of vortices, offer some opportunity for mixing enhancement. Their extent, however, is found to be limited in the mixing layer's parameter space. Extensive validation of the PSE technique also provides a unique perspective on central- mode vortex pairing, further supporting the view that pairing is primarily governed perspective sheds insight on how linear stability theory is able to provide such an accurate prediction of experimentally-observed, fully nonlinear flow phenomenon.

  18. Seismic stability of a standalone glove box structure

    Energy Technology Data Exchange (ETDEWEB)

    Saraswat, A., E-mail: anupams@barc.gov.in [Bhabha Atomic Research Centre, Mumbai (India); Reddy, G.R. [Bhabha Atomic Research Centre, Mumbai (India); Ghosh, S. [Indian Institute of Technology Bombay, Mumbai (India); Ghosh, A.K.; Kumar, Arun [Bhabha Atomic Research Centre, Mumbai (India)

    2014-09-15

    Highlights: • Glove box is a leak tight, safety related structure used for handling radiotoxic materials. • To study the seismic performance of a freestanding glove box, extensive shake table testing has been carried out. • Glove box maintained structural integrity and leak tightness up to design basis earthquake loading. • Detailed three-dimensional finite element model of the structure is developed and analyzed by using direct time integration methods. • Simplified numerical method is proposed and successfully applied, to quickly estimate sliding displacement and determine upper bounds for it. - Abstract: In a nuclear fuel cycle facility, radiotoxic materials are being handled in freestanding leak tight enclosures called glove boxes (GBs). These glove boxes act as a primary confinement for the radiotoxic materials. Glove boxes are designed as per codal requirements for class I component. They are designed to withstand extreme level of earthquake loading with a return period of 10,000 years. To evaluate seismic performance of the glove box, there is a need to check the stability (sliding and overturning), structural integrity (stresses and strains) and leak tightness under earthquake loading. Extensive shake table experiments were conducted on a single standalone glove box. Actual laboratory conditions were simulated during testing to check the response. After extensive shake table testing, glove box structure was also analyzed using finite element (FE) software. Detailed three-dimensional model of glove box structure was developed and analyzed using nonlinear time history method. It was observed that finite element methods could be utilized to accurately predict dynamic response of glove box structure. This paper discusses the details and results of shake table testing and methodology used for modelling and analysing freestanding glove box structure under seismic loading. In addition, simplified numerical procedure, developed using energy conservation

  19. Seismic stability of a standalone glove box structure

    International Nuclear Information System (INIS)

    Saraswat, A.; Reddy, G.R.; Ghosh, S.; Ghosh, A.K.; Kumar, Arun

    2014-01-01

    Highlights: • Glove box is a leak tight, safety related structure used for handling radiotoxic materials. • To study the seismic performance of a freestanding glove box, extensive shake table testing has been carried out. • Glove box maintained structural integrity and leak tightness up to design basis earthquake loading. • Detailed three-dimensional finite element model of the structure is developed and analyzed by using direct time integration methods. • Simplified numerical method is proposed and successfully applied, to quickly estimate sliding displacement and determine upper bounds for it. - Abstract: In a nuclear fuel cycle facility, radiotoxic materials are being handled in freestanding leak tight enclosures called glove boxes (GBs). These glove boxes act as a primary confinement for the radiotoxic materials. Glove boxes are designed as per codal requirements for class I component. They are designed to withstand extreme level of earthquake loading with a return period of 10,000 years. To evaluate seismic performance of the glove box, there is a need to check the stability (sliding and overturning), structural integrity (stresses and strains) and leak tightness under earthquake loading. Extensive shake table experiments were conducted on a single standalone glove box. Actual laboratory conditions were simulated during testing to check the response. After extensive shake table testing, glove box structure was also analyzed using finite element (FE) software. Detailed three-dimensional model of glove box structure was developed and analyzed using nonlinear time history method. It was observed that finite element methods could be utilized to accurately predict dynamic response of glove box structure. This paper discusses the details and results of shake table testing and methodology used for modelling and analysing freestanding glove box structure under seismic loading. In addition, simplified numerical procedure, developed using energy conservation

  20. Effects of Time-Compressed Speech Training on Multiple Functional and Structural Neural Mechanisms Involving the Left Superior Temporal Gyrus.

    Science.gov (United States)

    Maruyama, Tsukasa; Takeuchi, Hikaru; Taki, Yasuyuki; Motoki, Kosuke; Jeong, Hyeonjeong; Kotozaki, Yuka; Nakagawa, Seishu; Nouchi, Rui; Iizuka, Kunio; Yokoyama, Ryoichi; Yamamoto, Yuki; Hanawa, Sugiko; Araki, Tsuyoshi; Sakaki, Kohei; Sasaki, Yukako; Magistro, Daniele; Kawashima, Ryuta

    2018-01-01

    Time-compressed speech is an artificial form of rapidly presented speech. Training with time-compressed speech (TCSSL) in a second language leads to adaptation toward TCSSL. Here, we newly investigated the effects of 4 weeks of training with TCSSL on diverse cognitive functions and neural systems using the fractional amplitude of spontaneous low-frequency fluctuations (fALFF), resting-state functional connectivity (RSFC) with the left superior temporal gyrus (STG), fractional anisotropy (FA), and regional gray matter volume (rGMV) of young adults by magnetic resonance imaging. There were no significant differences in change of performance of measures of cognitive functions or second language skills after training with TCSSL compared with that of the active control group. However, compared with the active control group, training with TCSSL was associated with increased fALFF, RSFC, and FA and decreased rGMV involving areas in the left STG. These results lacked evidence of a far transfer effect of time-compressed speech training on a wide range of cognitive functions and second language skills in young adults. However, these results demonstrated effects of time-compressed speech training on gray and white matter structures as well as on resting-state intrinsic activity and connectivity involving the left STG, which plays a key role in listening comprehension.

  1. Structure and Stability of Deflagrations in Porous Energetic Materials

    Energy Technology Data Exchange (ETDEWEB)

    stephen B. Margolis; Forman A. Williams

    1999-03-01

    Theoretical two-phase-flow analyses have recently been developed to describe the structure and stability of multi-phase deflagrations in porous energetic materials, in both confined and unconfined geometries. The results of these studies are reviewed, with an emphasis on the fundamental differences that emerge with respect to the two types of geometries. In particular, pressure gradients are usually negligible in unconfined systems, whereas the confined problem is generally characterized by a significant gas-phase pressure difference, or overpressure, between the burned and unburned regions. The latter leads to a strong convective influence on the burning rate arising from the pressure-driven permeation of hot gases into the solid/gas region and the consequent preheating of the unburned material. It is also shown how asymptotic models that are suitable for analyzing stability may be derived based on the largeness of an overall activation-energy parameter. From an analysis of such models, it is shown that the effects of porosity and two-phase flow are generally destabilizing, suggesting that degraded propellants, which exhibit greater porosity than their pristine counterparts, may be more readily subject to combustion instability and nonsteady deflagration.

  2. STRUCTURAL STABILITY OF HIGH NITROGEN AUSTENITIC STAINLESS STEELS

    Directory of Open Access Journals (Sweden)

    Jana Bakajová

    2011-05-01

    Full Text Available This paper deals with the structural stability of an austenitic stainless steel with high nitrogen content. The investigated steel was heat treated at 800°C using different annealing times. Investigation was carried out using light microscopy, transmission electron microscopy and thermodynamic calculations. Three phases were identified by electron diffraction: Cr2N, sigma – phase and M23C6. The thermodynamic prediction is in good agreement with the experimental result. The only is the M23C6 carbide phase which is not thermodynamically predicted. Cr2N is the majority secondary phase and occurs in the form of discrete particles or cells (lamellas of Cr2N and austenite.

  3. Enhanced structural stability of DNA origami nanostructures by graphene encapsulation

    International Nuclear Information System (INIS)

    Matković, Aleksandar; Vasić, Borislav; Pešić, Jelena; Gajić, Radoš; Prinz, Julia; Bald, Ilko; Milosavljević, Aleksandar R

    2016-01-01

    We demonstrate that a single-layer graphene replicates the shape of DNA origami nanostructures very well. It can be employed as a protective layer for the enhancement of structural stability of DNA origami nanostructures. Using the AFM based manipulation, we show that the normal force required to damage graphene encapsulated DNA origami nanostructures is over an order of magnitude greater than for the unprotected ones. In addition, we show that graphene encapsulation offers protection to the DNA origami nanostructures against prolonged exposure to deionized water, and multiple immersions. Through these results we demonstrate that graphene encapsulated DNA origami nanostructures are strong enough to sustain various solution phase processing, lithography and transfer steps, thus extending the limits of DNA-mediated bottom-up fabrication. (paper)

  4. Hydrolytic catalysis and structural stabilization in a designed metalloprotein

    Science.gov (United States)

    Zastrow, Melissa L.; Peacock, Anna F. A.; Stuckey, Jeanne A.; Pecoraro, Vincent L.

    2011-01-01

    Metal ions are an important part of many natural proteins, providing structural, catalytic and electron transfer functions. Reproducing these functions in a designed protein is the ultimate challenge to our understanding of them. Here, we present an artificial metallohydrolase, which has been shown by X-ray crystallography to contain two different metal ions – a Zn(II) ion which is important for catalytic activity and a Hg(II) ion which provides structural stability. This metallohydrolase displays catalytic activity that compares well with several characteristic reactions of natural enzymes. It catalyses p-nitrophenyl acetate hydrolysis (pNPA) to within ~100-fold of the efficiency of human carbonic anhydrase (CA)II and is at least 550-fold better than comparable synthetic complexes. Similarly, CO2 hydration occurs with an efficiency within ~500-fold of CAII. While histidine residues in the absence of Zn(II) exhibit pNPA hydrolysis, miniscule apopeptide activity is observed for CO2 hydration. The kinetic and structural analysis of this first de novo designed hydrolytic metalloenzyme uncovers necessary design features for future metalloenzymes containing one or more metals. PMID:22270627

  5. Improved ferroelectric/piezoelectric properties and bright green/UC red emission in (Li,Ho)-doped CaBi4Ti4O15 multifunctional ceramics with excellent temperature stability and superior water-resistance performance.

    Science.gov (United States)

    Xiao, Ping; Guo, Yongquan; Tian, Mijie; Zheng, Qiaoji; Jiang, Na; Wu, Xiaochun; Xia, Zhiguo; Lin, Dunmin

    2015-10-21

    Multifunctional materials based on rare earth ion doped ferro/piezoelectrics have attracted considerable attention in recent years. In this work, new lead-free multifunctional ceramics of Ca1-x(LiHo)x/2Bi4Ti4O15 were prepared by a conventional solid-state reaction method. The great multi-improvement in ferroelectricity/piezoelectricity, down/up-conversion luminescence and temperature stability of the multifunctional properties is induced by the partial substitution of (Li0.5Ho0.5)(2+) for Ca(2+) ions in CaBi4Ti4O15. All the ceramics possess a bismuth-layer structure, and the crystal structure of the ceramics is changed from a four layered bismuth-layer structure to a three-layered structure with the level of (Li0.5Ho0.5)(2+) increasing. The ceramic with x = 0.1 exhibits simultaneously, high resistivity (R = 4.51 × 10(11)Ω cm), good piezoelectricity (d33 = 10.2 pC N(-1)), high Curie temperature (TC = 814 °C), strong ferroelectricity (Pr = 9.03 μC cm(-2)) and enhanced luminescence. These behaviours are greatly associated with the contribution of (Li0.5Ho0.5)(2+) in the ceramics. Under the excitation of 451 nm light, the ceramic with x = 0.1 exhibits a strong green emission peak centered at 545 nm, corresponding to the transition of the (5)S2→(5)I8 level in Ho(3+) ions, while a strong red up-conversion emission band located at 660 nm is observed under the near-infrared excitation of 980 nm at room temperature, arising from the transition of (5)F5→(5)I8 levels in Ho(3+) ions. Surprisingly, the excellent temperature stability of ferroelectricity/piezoelectricity/luminescence and superior water-resistance behaviors of piezoelectricity/luminescence are also obtained in the ceramic with x = 0.1. Our study suggests that the present ceramics may have potential applications in advanced multifunctional devices at high temperature.

  6. DNA secondary structures: stability and function of G-quadruplex structures

    Science.gov (United States)

    Bochman, Matthew L.; Paeschke, Katrin; Zakian, Virginia A.

    2013-01-01

    In addition to the canonical double helix, DNA can fold into various other inter- and intramolecular secondary structures. Although many such structures were long thought to be in vitro artefacts, bioinformatics demonstrates that DNA sequences capable of forming these structures are conserved throughout evolution, suggesting the existence of non-B-form DNA in vivo. In addition, genes whose products promote formation or resolution of these structures are found in diverse organisms, and a growing body of work suggests that the resolution of DNA secondary structures is critical for genome integrity. This Review focuses on emerging evidence relating to the characteristics of G-quadruplex structures and the possible influence of such structures on genomic stability and cellular processes, such as transcription. PMID:23032257

  7. Flexible and Lightweight Pressure Sensor Based on Carbon Nanotube/Thermoplastic Polyurethane-Aligned Conductive Foam with Superior Compressibility and Stability.

    Science.gov (United States)

    Huang, Wenju; Dai, Kun; Zhai, Yue; Liu, Hu; Zhan, Pengfei; Gao, Jiachen; Zheng, Guoqiang; Liu, Chuntai; Shen, Changyu

    2017-12-06

    Flexible and lightweight carbon nanotube (CNT)/thermoplastic polyurethane (TPU) conductive foam with a novel aligned porous structure was fabricated. The density of the aligned porous material was as low as 0.123 g·cm -3 . Homogeneous dispersion of CNTs was achieved through the skeleton of the foam, and an ultralow percolation threshold of 0.0023 vol % was obtained. Compared with the disordered foam, mechanical properties of the aligned foam were enhanced and the piezoresistive stability of the flexible foam was improved significantly. The compression strength of the aligned TPU foam increases by 30.7% at the strain of 50%, and the stress of the aligned foam is 22 times that of the disordered foam at the strain of 90%. Importantly, the resistance variation of the aligned foam shows a fascinating linear characteristic under the applied strain until 77%, which would benefit the application of the foam as a desired pressure sensor. During multiple cyclic compression-release measurements, the aligned conductive CNT/TPU foam represents excellent reversibility and reproducibility in terms of resistance. This nice capability benefits from the aligned porous structure composed of ladderlike cells along the orientation direction. Simultaneously, the human motion detections, such as walk, jump, squat, etc. were demonstrated by using our flexible pressure sensor. Because of the lightweight, flexibility, high compressibility, excellent reversibility, and reproducibility of the conductive aligned foam, the present study is capable of providing new insights into the fabrication of a high-performance pressure sensor.

  8. Structurally stabilized organosilane-templated thermostable mesoporous titania.

    Science.gov (United States)

    Amoli, Vipin; Tiwari, Rashmi; Dutta, Arghya; Bhaumik, Asim; Sinha, Anil Kumar

    2014-01-13

    Structurally thermostable mesoporous anatase TiO2 (m-TiO2) nanoparticles, uniquely decorated with atomically dispersed SiO2, is reported for the first time. The inorganic Si portion of the novel organosilane template, used as a mesopores-directing agent, is found to be incorporated in the pore walls of the titania aggregates, mainly as isolated sites. This is evident by transmission electron microscopy and high-angle annular dark field scanning transmission electron microscopy, combined with electron dispersive X-ray spectroscopy. This type of unique structure provides exceptional stability to this new material against thermal collapse of the mesoporous structure, which is reflected in its high surface area (the highest known for anatase titania), even after high-temperature (550 °C) calcination. Control of crystallite size, pore diameter, and surface area is achieved by varying the molar ratios of the titanium precursor and the template during synthesis. These mesoporous materials retain their porosity and high surface area after template removal and further NaOH/HCl treatment to remove silica. We investigate their performance for dye-sensitized solar cells (DSSCs) with bilayer TiO2 electrodes, which are prepared by applying a coating of m-TiO2 onto a commercial titania (P25) film. The high surface area of the upper mesoporous layer in the P25-m-TiO2 DSSC significantly increases the dye loading ability of the photoanode. The photocurrent and fill factor for the DSSC with the bilayer TiO2 electrode are greatly improved. The large increase in photocurrent current (ca. 56%) in the P25-m-TiO2 DSSC is believed to play a significant role in achieving a remarkable increase in the photovoltaic efficiency (60%) of the device, compared to DSSCs with a monolayer of P25 as the electrode. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Stability, structure and scale: improvements in multi-modal vessel extraction for SEEG trajectory planning.

    Science.gov (United States)

    Zuluaga, Maria A; Rodionov, Roman; Nowell, Mark; Achhala, Sufyan; Zombori, Gergely; Mendelson, Alex F; Cardoso, M Jorge; Miserocchi, Anna; McEvoy, Andrew W; Duncan, John S; Ourselin, Sébastien

    2015-08-01

    Brain vessels are among the most critical landmarks that need to be assessed for mitigating surgical risks in stereo-electroencephalography (SEEG) implantation. Intracranial haemorrhage is the most common complication associated with implantation, carrying significantly associated morbidity. SEEG planning is done pre-operatively to identify avascular trajectories for the electrodes. In current practice, neurosurgeons have no assistance in the planning of electrode trajectories. There is great interest in developing computer-assisted planning systems that can optimise the safety profile of electrode trajectories, maximising the distance to critical structures. This paper presents a method that integrates the concepts of scale, neighbourhood structure and feature stability with the aim of improving robustness and accuracy of vessel extraction within a SEEG planning system. The developed method accounts for scale and vicinity of a voxel by formulating the problem within a multi-scale tensor voting framework. Feature stability is achieved through a similarity measure that evaluates the multi-modal consistency in vesselness responses. The proposed measurement allows the combination of multiple images modalities into a single image that is used within the planning system to visualise critical vessels. Twelve paired data sets from two image modalities available within the planning system were used for evaluation. The mean Dice similarity coefficient was 0.89 ± 0.04, representing a statistically significantly improvement when compared to a semi-automated single human rater, single-modality segmentation protocol used in clinical practice (0.80 ± 0.03). Multi-modal vessel extraction is superior to semi-automated single-modality segmentation, indicating the possibility of safer SEEG planning, with reduced patient morbidity.

  10. Structuring detergents for extracting and stabilizing functional membrane proteins.

    Directory of Open Access Journals (Sweden)

    Rima Matar-Merheb

    Full Text Available BACKGROUND: Membrane proteins are privileged pharmaceutical targets for which the development of structure-based drug design is challenging. One underlying reason is the fact that detergents do not stabilize membrane domains as efficiently as natural lipids in membranes, often leading to a partial to complete loss of activity/stability during protein extraction and purification and preventing crystallization in an active conformation. METHODOLOGY/PRINCIPAL FINDINGS: Anionic calix[4]arene based detergents (C4Cn, n=1-12 were designed to structure the membrane domains through hydrophobic interactions and a network of salt bridges with the basic residues found at the cytosol-membrane interface of membrane proteins. These compounds behave as surfactants, forming micelles of 5-24 nm, with the critical micellar concentration (CMC being as expected sensitive to pH ranging from 0.05 to 1.5 mM. Both by 1H NMR titration and Surface Tension titration experiments, the interaction of these molecules with the basic amino acids was confirmed. They extract membrane proteins from different origins behaving as mild detergents, leading to partial extraction in some cases. They also retain protein functionality, as shown for BmrA (Bacillus multidrug resistance ATP protein, a membrane multidrug-transporting ATPase, which is particularly sensitive to detergent extraction. These new detergents allow BmrA to bind daunorubicin with a Kd of 12 µM, a value similar to that observed after purification using dodecyl maltoside (DDM. They preserve the ATPase activity of BmrA (which resets the protein to its initial state after drug efflux much more efficiently than SDS (sodium dodecyl sulphate, FC12 (Foscholine 12 or DDM. They also maintain in a functional state the C4Cn-extracted protein upon detergent exchange with FC12. Finally, they promote 3D-crystallization of the membrane protein. CONCLUSION/SIGNIFICANCE: These compounds seem promising to extract in a functional state

  11. Anterior cement augmentation of adjacent levels after vertebral body replacement leads to superior stability of the corpectomy cage under cyclic loading-a biomechanical investigation.

    Science.gov (United States)

    Oberkircher, Ludwig; Krüger, Antonio; Hörth, Dominik; Hack, Juliana; Ruchholtz, Steffen; Fleege, Christoph; Rauschmann, Michael; Arabmotlagh, Mohammad

    2018-03-01

    In the operative treatment of osteoporotic vertebral body fractures, a dorsal stabilization in combination with a corpectomy of the fractured vertebral body might be necessary with respect to the fracture morphology, whereby the osteoporotic bone quality may possibly increase the risk of implant failure. To achieve better stability, it is recommended to use cement-augmented screws for dorsal instrumentation. Besides careful end plate preparation, cement augmentation of the adjacent end plates has also been reported to lead to less reduction loss. The aim of the study was to evaluate biomechanically under cyclic loading whether an additional cement augmentation of the adjacent end plates leads to improved stability of the inserted cage. Methodical cadaver study. Fourteen fresh frozen human thoracic spines with proven osteoporosis were used (T2-T7). After removal of the soft tissues, the spine was embedded in Technovit (Kulzer, Germany). Subsequently, a corpectomy of T5 was performed, leaving the dorsal ligamentary structures intact. After randomization with respect to bone quality, two groups were generated: Dorsal instrumentation (cemented pedicle screws, Medtronic, Minneapolis, MN, USA)+cage implantation (CAPRI Corpectomy Cage, K2M, Leesburg, VA, USA) without additional cementation of the adjacent endplates (Group A) and dorsal instrumentation+cage implantation with additional cement augmentation of the adjacent end plates (Group B). The subsequent axial and cyclic loading was performed at a frequency of 1 Hz, starting at 400 N and increasing the load within 200 N after every 500 cycles up to a maximum of 2,200 N. Load failure was determined when the cages sintered macroscopically into the end plates (implant failure) or when the maximum load was reached. One specimen in Group B could not be clamped appropriately into the test bench for axial loading because of a pronounced scoliotic misalignment and had to be excluded. The mean strength for implant

  12. Structures and related properties of helical, disulfide-stabilized peptides

    Energy Technology Data Exchange (ETDEWEB)

    Pagel, Mark D. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry

    1993-11-01

    The three dimensional structure of several peptides were determined by NMR spectroscopy and distance geometry calculations. Each peptide formed a predictable, rigid structure, consisting of an α-helix, a "scaffold" region which packed along one face of the helix, and two disulfide bridges which covalently connect the helix and scaffold regions. The peptide Apa-M5 was designed to constrain the M5 peptide from MLCK in a helical geometry using the apamin disulfide scaffold. This scaffold constrains the N- terminal end of the helix with two disulfide bridges and a reverse turn. Like the M5 peptide, Apa-M5 was found to bind calmodulin in a Ca2+-dependent 1:1 stoichiometry. However, the dissociation constant of the (Apa-M5)-calmodulin complex, 107 nM, was 100-fold higher than the dissociation constant of the M5-calmodulin complex. This difference was due to a putative steric overlap between the Apa-M5 scaffold and calmodulin. The peptide Apa-Cro was designed to replace the large structural protein matrix of λ Cro with the apamin disulfide scaffold. However, Apa-Cro did not bind the consensus DNA operator half-site of λ Cro, probably due to a steric overlap between the Apa-Cro disulfide framework and the DNA. The amino acid sequence of the scaffold-disulfide bridge arrangement of the peptide Max was derived from the core sequence of scyllatoxin, which contains an α-helix constrained at the C-terminal end by two disulfide bridges and a two-stranded βsheet scaffold. Max was shown to fold with >84% yield to form a predictable, stable structure that is similar to scyllatoxin. The folding and stability properties of Max make this scaffold and disulfide bridge arrangement an ideal candidate for the development of hybrid sequence peptides. The dynamics of a fraying C-terminal end of the helix of the peptide Apa-AlaN was determined by analysis of 15N NMR relaxation properties.

  13. Structure and stability of small H clusters on graphene

    DEFF Research Database (Denmark)

    Sljivancanin, Zeljko; Andersen, Mie; Hammer, Bjørk

    2011-01-01

    The structure and stability of small hydrogen clusters adsorbed on graphene is studied by means of density functional theory (DFT) calculations. Clusters containing up to six H atoms are investigated systematically, with the clusters having either all H atoms on one side of the graphene sheet (cis......-clusters) or having the H atoms on both sides in an alternating manner (trans-clusters). The most stable cis-clusters found have H atoms in ortho- and para-positions with respect to each other (two H’s on neighboring or diagonally opposite carbon positions within one carbon hexagon), while the most stable trans......-clusters found have H atoms in ortho-trans-positions with respect to each other (two H’s on neighboring carbon positions, but on opposite sides of the graphene). Very stable trans-clusters with 13–22 H atoms were identified by optimizing the number of H atoms in ortho-trans-positions and thereby the number...

  14. STABILITY AND DYNAMICS OF SPATIO-TEMPORAL STRUCTURES

    Energy Technology Data Exchange (ETDEWEB)

    Hermann Riecke

    2005-10-21

    This document constitutes the final report for the grant. It provides a complete list of publications and presentations that arose from the project as well as a brief description of the highlights of the research results. The research funded by this grant has provided insights into the spontaneous formation of structures of increasing complexity in systems driven far from thermodynamic equilibrium. A classic example of such a system is thermally driven convection in a horizontal fluid layer. Highlights of the research are: (1) explanation of the localized traveling wave pulses observed in binary-mixture convection, (2) explanation of the localized waves in electroconvection, (3) introduction of a new diagnostics for spatially and temporally chaotic states, which is based on the statistics of defect trajectories, (4) prediction of complex states in thermally driven convection in rotating systems. Additional contributions provided insight into the localization mechanism for oscillons, the prediction of a new localization mechanism for traveling waves based on a resonant periodic forcing, and an analysis of the stability of quasi-periodic patterns.

  15. Structure, spectra and stability of solid bismuth carbonates

    International Nuclear Information System (INIS)

    Taylor, Peter; Sunder, S.; Lopata, V.J.

    1984-01-01

    A previously unreported basic bismuth carbonate, (BiO)sub(4)(OH)sub(2)COsub(3), has been identified as an intermediate product in the interconversion of α-Bisub(2)Osub(3) and synthetic bismutite, (BiO)sub(2)COsub(3), in aqueous carbonate solutions. It has a narrow stability field between COsub(2) partial pressures of 10sup(-5.5+-1.0) Pa, in the presence of dilute aqueous solution at 25 degrees C. Gibbs energies of formation, calculated from these partial pressures, are Δsub(f)Gsup(0)((BiO)sub(4)(OH)sub(2)COsub(3),s,298.15 K)-1678 +- 9 kJ molsup(-1) and Δsub(f)Gsup(0)((BiO)sub(2)COsub(3),s,298.15 K)=-945 +- 7 kJ molsup(-1). The two carbonates have been compared by thermogravimetric analysis, X-ray powder diffractometry, and infrared and Raman spectroscopy. The unit cell of (BiO)sub(4)(OH)sub(2)COsub(3) is dimensionally orthorhombic, with a=10.772(1), b=5.4898(5), c=14.757(1)angstrom,Z=4, but its true symmetry is probably triclinic. A structural model for (BiO)sub(4)(OH)sub(2)COsub(3), and two modified models for (BiO)sub(2)COsub(3), are proposed. The possible natural occurrence of (BiO)sub(4)(OH)sub(2)COsub(3) is discussed

  16. Atomistic Origins of High Capacity and High Structural Stability of Polymer-Derived SiOC Anode Materials.

    Science.gov (United States)

    Sun, Hong; Zhao, Kejie

    2017-10-11

    Capacity and structural stability are often mutually exclusive properties of electrodes in Li-ion batteries (LIBs): a gain in capacity is usually accompanied by the undesired large volumetric change of the host material upon lithiation. Polymer-derived ceramics, such as silicon oxycarbide (SiOC) of hybrid Si-O-C bonds, show an exceptional combination of high capacity and superior structural stability. We investigate the atomistic origins of the unique chemomechanical performance of carbon-rich SiOC using the first-principles theoretical approach. The atomic model of SiOC is composed of continuous Si-O-C units caged by a graphene-like cellular network and percolated nanovoids. The segregated sp 2 carbon network serves as the backbone to maintain the structural stability of the lattice. Li insertion is first absorbed at the nanovoid sites, and then it is accommodated by the SiOC tetrahedral units, excess C atoms, and topological defects at the edge of or within the segregated carbon network. SiOC expands up to 22% in volumetric strain at the fully lithiated capacity of 1230 mA h/g. We examine in great detail the evolution of the microscopic features of the SiOC molecule in the course of Li reactions. The first-principles modeling provides a fundamental understanding of the physicochemical properties of Si-based glass ceramics for their application in LIBs.

  17. Superior Self-Paced Memorization of Digits in Spite of a Normal Digit Span: The Structure of a Memorist's Skill

    Science.gov (United States)

    Hu, Yi; Ericsson, K. Anders; Yang, Dan; Lu, Chao

    2009-01-01

    Over the last century many individuals with exceptional memory have been studied and tested in the laboratory. This article studies Chao Lu, who set a Guinness World Record by memorizing 67,890 decimals of pi. Chao Lu's superior self-paced memorization of digits is shown through analyses of study times and verbal reports to be mediated by mnemonic…

  18. Accuracy Enhanced Stability and Structure Preserving Model Reduction Technique for Dynamical Systems with Second Order Structure

    DEFF Research Database (Denmark)

    Tahavori, Maryamsadat; Shaker, Hamid Reza

    A method for model reduction of dynamical systems with the second order structure is proposed in this paper. The proposed technique preserves the second order structure of the system, and also preserves the stability of the original systems. The method uses the controllability and observability...... gramians within the time interval to build the appropriate Petrov-Galerkin projection for dynamical systems within the time interval of interest. The bound on approximation error is also derived. The numerical results are compared with the counterparts from other techniques. The results confirm...

  19. Evaluation of the Structure Stability of a Plate Girder Bridge Using MIDAS Structure Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Eui Soo; Kim, Jong Hyuk [National Forensic Service, Wonju (Korea, Republic of)

    2014-04-15

    Recently, as a means of resolving the issue of legal liability in the event of an accident or a disaster, a wide variety of simulation techniques, such as structural and structure-fluid interaction analysis, have been used in the field of forensic engineering. The plate girder bridge discussed in this paper was being constructed between a pier and an abutment to expand an existing bridge, but an accident whereby the bridge overturned occurred at the end of the concrete laying process for a protective wall. This accident was caused by additional loads not being considered at the time of the design as well as the actual construction being different from the design. The additional loads ultimately generated a negative support force. In this study, we determined the cause of the accident by comparing the structural stability of the original design with that of the additional, non-conforming construction using MIDAS structural analysis.

  20. Evaluation of the Structure Stability of a Plate Girder Bridge Using MIDAS Structure Analysis

    International Nuclear Information System (INIS)

    Kim, Eui Soo; Kim, Jong Hyuk

    2014-01-01

    Recently, as a means of resolving the issue of legal liability in the event of an accident or a disaster, a wide variety of simulation techniques, such as structural and structure-fluid interaction analysis, have been used in the field of forensic engineering. The plate girder bridge discussed in this paper was being constructed between a pier and an abutment to expand an existing bridge, but an accident whereby the bridge overturned occurred at the end of the concrete laying process for a protective wall. This accident was caused by additional loads not being considered at the time of the design as well as the actual construction being different from the design. The additional loads ultimately generated a negative support force. In this study, we determined the cause of the accident by comparing the structural stability of the original design with that of the additional, non-conforming construction using MIDAS structural analysis

  1. Modeling Insight into Battery Electrolyte Electrochemical Stability and Interfacial Structure.

    Science.gov (United States)

    Borodin, Oleg; Ren, Xiaoming; Vatamanu, Jenel; von Wald Cresce, Arthur; Knap, Jaroslaw; Xu, Kang

    2017-12-19

    Electroactive interfaces distinguish electrochemistry from chemistry and enable electrochemical energy devices like batteries, fuel cells, and electric double layer capacitors. In batteries, electrolytes should be either thermodynamically stable at the electrode interfaces or kinetically stable by forming an electronically insulating but ionically conducting interphase. In addition to a traditional optimization of electrolytes by adding cosolvents and sacrificial additives to preferentially reduce or oxidize at the electrode surfaces, knowledge of the local electrolyte composition and structure within the double layer as a function of voltage constitutes the basis of manipulating an interphase and expanding the operating windows of electrochemical devices. In this work, we focus on how the molecular-scale insight into the solvent and ion partitioning in the electrolyte double layer as a function of applied potential could predict changes in electrolyte stability and its initial oxidation and reduction reactions. In molecular dynamics (MD) simulations, highly concentrated lithium aqueous and nonaqueous electrolytes were found to exclude the solvent molecules from directly interacting with the positive electrode surface, which provides an additional mechanism for extending the electrolyte oxidation stability in addition to the well-established simple elimination of "free" solvent at high salt concentrations. We demonstrate that depending on their chemical structures, the anions could be designed to preferentially adsorb or desorb from the positive electrode with increasing electrode potential. This provides additional leverage to dictate the order of anion oxidation and to effectively select a sacrificial anion for decomposition. The opposite electrosorption behaviors of bis(trifluoromethane)sulfonimide (TFSI) and trifluoromethanesulfonate (OTF) as predicted by MD simulation in highly concentrated aqueous electrolytes were confirmed by surface enhanced infrared

  2. Polyhydroxy surfactants for the formulation of lipid nanoparticles (SLN and NLC): effects on size, physical stability and particle matrix structure.

    Science.gov (United States)

    Kovacevic, A; Savic, S; Vuleta, G; Müller, R H; Keck, C M

    2011-03-15

    The two polyhydroxy surfactants polyglycerol 6-distearate (Plurol(®)Stearique WL1009 - (PS)) and caprylyl/capryl glucoside (Plantacare(®) 810 - (PL)) are a class of PEG-free stabilizers, made from renewable resources. They were investigated for stabilization of aqueous solid lipid nanoparticle (SLN) and nanostructured lipid carrier (NLC) dispersions. Production was performed by high pressure homogenization, analysis by photon correlation spectroscopy (PCS), laser diffraction (LD), zeta potential measurements and differential scanning calorimetry (DSC). Particles were made from Cutina CP as solid lipid only (SLN) and its blends with Miglyol 812 (NLC, the blends containing increasing amounts of oil from 20% to 60%). The obtained particle sizes were identical for both surfactants, about 200 nm with polydispersity indices below 0.20 (PCS), and unimodal size distribution (LD). All dispersions with both surfactants were physically stable for 3 months at room temperature, but Plantacare (PL) showing a superior stability. The melting behaviour and crystallinity of bulk lipids/lipid blends were compared to the nanoparticles. Both were lower for the nanoparticles. The crystallinity of dispersions stabilized with PS was higher, the zeta potential decreased with storage time associated with this higher crystallinity, and leading to a few, but negligible larger particles. The lower crystallinity particles stabilized with PL remained unchanged in zeta potential (about -50 mV) and in size. These data show that surfactants have a distinct influence on the particle matrix structure (and related stability and drug loading), to which too little attention was given by now. Despite being from the same surfactant class, the differences on the structure are pronounced. They are attributed to the hydrophobic-lipophilic tail structure with one-point anchoring in the interface (PL), and the loop conformation of PS with two hydrophobic anchor points, i.e. their molecular structure and its

  3. ON THE STABILIZATION OF THE LINEAR HYBRID SYSTEM STRUCTURE

    Directory of Open Access Journals (Sweden)

    Kirillov

    2014-11-01

    Full Text Available The linear control hybrid system, consisting of a fi- nite set of subsystems (modes having different dimensions, is considered. The moments of reset time are determined by some complementary function – evolutionary time. This function satisfies the special complementary ordinary differential equation. The mode stabilization problem is solved for some class of piecewise linear controls. The method of stabilization relies on the set of invariant planes, the existence of which is due to the special form of the hybrid system.

  4. THE IMPACT OF CAPITAL STRUCTURE ON THE ENTERPRISE FINANCIAL STABILITY

    Directory of Open Access Journals (Sweden)

    A. V. Ivanyshcheva

    2009-06-01

    Full Text Available Functioning of production enterprises in the conditions of continuous change of market environment require a special attention of management system to providing their activities. The enterprise financial stability management is one of integral parts of the management system. The increased or insufficient financial stability adversely affects the enterprise competition ability that leads to decreasing the profitability and worsening the financial results of its activities.

  5. Synthesis, Structure, Stability and Redispersion of Gold-based Nanoparticles

    Science.gov (United States)

    Tiruvalam, Ram Chandra

    ' particles with Pd-shell/Au-core and Au-shell/Pd-core morphologies, have been prepared and immobilized on both activated carbon and TiO2 supports. These have subsequently been compared as catalysts for the direct production of H2O2 and for benzyl alcohol oxidation in an attempt to elucidate the optimum particle morphology/support combination for both these reactions. Aberration corrected analytical electron microscopy has been used extensively to characterize these sol-immobilized materials. In particular, the STEM -HAADF technique has provided invaluable new (and often unexpected) information on the atomic structure, elemental distribution within particles, and compositional variations between particles for these controlled catalyst preparations. In addition, we have been able to compare their differing thermal stability and sintering behaviors, and to demonstrate that they have quite varying wetting interactions with activated carbon and TiO2 supports. Over the course of their lifetime, many supported metal catalysts exposed to elevated temperatures tend to de-activate by nanoparticle sintering, which decreases the overall exposed metal surface area and the number of active sites available for catalysis. It is sometimes desirable to devise chemical re-dispersion treatments whereby the mean size of the particles is reduced and the catalytic activity regenerated. In this work, the possibility of re-dispersing gold nanoparticles by a simple low temperature methyl iodide (CH3 I) treatment has been investigated. A variety of characterization techniques, including EXAFS, XRD, XPS, UV-DRS and STEM-HAADF imaging has been applied to samples before and after CH3 I treatment, in an attempt to determine the efficacy of the re-dispersion method. It is shown that re-dispersion of Au nanoparticles on activated carbon, graphite, Al2 O3 and TiO2 substrates is possible to varying degrees. A complete re-dispersion of `bulk' gold nanoparticles down to the atomic scale has been achieved on

  6. Local chromatin structure of heterochromatin regulates repeated DNA stability, nucleolus structure, and genome integrity

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Jamy C. [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    Heterochromatin constitutes a significant portion of the genome in higher eukaryotes; approximately 30% in Drosophila and human. Heterochromatin contains a high repeat DNA content and a low density of protein-encoding genes. In contrast, euchromatin is composed mostly of unique sequences and contains the majority of single-copy genes. Genetic and cytological studies demonstrated that heterochromatin exhibits regulatory roles in chromosome organization, centromere function and telomere protection. As an epigenetically regulated structure, heterochromatin formation is not defined by any DNA sequence consensus. Heterochromatin is characterized by its association with nucleosomes containing methylated-lysine 9 of histone H3 (H3K9me), heterochromatin protein 1 (HP1) that binds H3K9me, and Su(var)3-9, which methylates H3K9 and binds HP1. Heterochromatin formation and functions are influenced by HP1, Su(var)3-9, and the RNA interference (RNAi) pathway. My thesis project investigates how heterochromatin formation and function impact nuclear architecture, repeated DNA organization, and genome stability in Drosophila melanogaster. H3K9me-based chromatin reduces extrachromosomal DNA formation; most likely by restricting the access of repair machineries to repeated DNAs. Reducing extrachromosomal ribosomal DNA stabilizes rDNA repeats and the nucleolus structure. H3K9me-based chromatin also inhibits DNA damage in heterochromatin. Cells with compromised heterochromatin structure, due to Su(var)3-9 or dcr-2 (a component of the RNAi pathway) mutations, display severe DNA damage in heterochromatin compared to wild type. In these mutant cells, accumulated DNA damage leads to chromosomal defects such as translocations, defective DNA repair response, and activation of the G2-M DNA repair and mitotic checkpoints that ensure cellular and animal viability. My thesis research suggests that DNA replication, repair, and recombination mechanisms in heterochromatin differ from those in

  7. The flow field structure of highly stabilized partially premixed flames in a concentric flow conical nozzle burner with coflow

    KAUST Repository

    Elbaz, Ayman M.; Zayed, M.F.; Samy, M.; Roberts, William L.; Mansour, Mohy S.

    2015-01-01

    The stability limits, the stabilization mechanism, and the flow field structure of highly stabilized partially premixed methane flames in a concentric flow conical nozzle burner with air co-flow have been investigated and presented in this work

  8. Extending Entropy Stability Measure To External Debt Structure ...

    African Journals Online (AJOL)

    This study focuses on the measure of stability of external debt using entropy. This is achieved by modifying the conglomerate of Shannon and Boltzmann entropy. This modification rectifies the limitations of these models. Practical illustration of the modified model is also given to justify its use. Journal of Science ...

  9. Structural stability of high entropy alloys under pressure and temperature

    DEFF Research Database (Denmark)

    Ahmad, Azkar S.; Su, Y.; Liu, S. Y.

    2017-01-01

    The stability of high-entropy alloys (HEAs) is a key issue before their selection for industrial applications. In this study, in-situ high-pressure and high-temperature synchrotron radiation X-ray diffraction experiments have been performed on three typical HEAs Ni20Co20Fe20Mn20Cr20, Hf25Nb25Zr25Ti...

  10. Influence of structure of crown ethers on their radiation stability

    International Nuclear Information System (INIS)

    Grigor'ev, E.I.; Myasoedova, T.G.; Nesterov, S.V.; Trakhtenberg, L.I.

    1988-01-01

    Primary products of γ-radiolysis of crown ethers with the same size of the macrocyclic ring and different substituents were studied by EPR and mass spectrometry. It was shown that introduction of substituents into the polyether ring increases the radiation stability of crown ethers due to intramolecular transfer of energy from the polyether ring to a substituent

  11. Structure and Stability of Complex Coacervate Core Micelles with Lysozyme

    NARCIS (Netherlands)

    Lindhoud, Saskia; de Vries, Renko; Norde, Willem; Cohen Stuart, Martinus Abraham

    2007-01-01

    Encapsulation of enzymes by polymers is a promising method to influence their activity and stability. Here, we explore the use of complex coacervate core micelles for encapsulation of enzymes. The core of the micelles consists of negatively charged blocks of the diblock copolymer PAA42PAAm417 and

  12. Structure and stability of complex coacervate core micelles with lysozyme

    NARCIS (Netherlands)

    Lindhoud, Saskia; de Vries, Renko; Norde, Willem; Cohen Stuart, Martien A.

    Encapsulation of enzymes by polymers is a promising method to influence their activity and stability. Here, we explore the use of complex coacervate core micelles for encapsulation of enzymes. The core of the micelles consists of negatively charged blocks of the diblock copolymer PAA(42)PAAm(417)

  13. Immunochemical faecal occult blood tests have superior stability and analytical performance characteristics over guaiac-based tests in a controlled in vitro study.

    LENUS (Irish Health Repository)

    Lee, Chun Seng

    2011-06-01

    The aims of this study were (1) to determine the measurement accuracy of a widely used guaiac faecal occult blood test (gFOBT) compared with an immunochemical faecal occult blood test (iFOBT) during in vitro studies, including their analytical stability over time at ambient temperature and at 4°C; and (2) to compare analytical imprecision and other characteristics between two commercially available iFOBT methods.

  14. A high-response transparent heater based on a CuS nanosheet film with superior mechanical flexibility and chemical stability.

    Science.gov (United States)

    Xie, Shuyao; Li, Teng; Xu, Zijie; Wang, Yanan; Liu, Xiangyang; Guo, Wenxi

    2018-04-05

    Transparent heaters are widely used in technologies such as window defrosting/defogging, displays, gas sensing, and medical equipment. Apart from mechanical robustness and electrical and optical reliabilities, outstanding chemical stability is also critical to the application of transparent heaters. In this regard, we first present a highly flexible and large-area CuS transparent heater fabricated by a colloidal crackle pattern method with an optimized sheet resistance (Rs) as low as 21.5 Ω sq-1 at a ∼80% transmittance. The CuS transparent heater exhibits remarkable mechanical robustness during bending tests as well as high chemical stability against acid and alkali environments. In the application as a transparent heater, the CuS heater demonstrates a high thermal resistance of 197 °C W-1 cm2 with a fast switching time (solar panels. These CuS network TCEs with high flexibility, transparency, conductivity, and chemical stability could be widely used in wearable electronic products.

  15. Stability and recovery of DNA origami structure with cation concentration

    Science.gov (United States)

    Chen, Yi; Wang, Ping; Liu, Yang; Liu, Ting; Xu, Yan; Zhu, Shanshan; Zhu, Jun; Ye, Kai; Huang, Guang; Dannong, He

    2018-01-01

    We synthesized triangular and rectangular DNA origami nanostructures and investigated the stability and recovery of them under low cation concentration. Our results demonstrated that the origami nanostructures would melt when incubated in low cation concentration, and recover whilst kept in the concentration for less than 10 min. However, extending the incubation time would lead to irreversible melting. Our results show the possibility of application of DNA origami nanostructures for things such as a sensor for cation concentration response, etc.

  16. Effects of sorbitol and glycerol on the structure, dynamics, and stability of Mycobacterium tuberculosis pyrazinamidase

    Directory of Open Access Journals (Sweden)

    Mehrnoosh Khajehzadeh

    2016-01-01

    Conclusion: It can be concluded that the native conformation of the enzyme was stabilized in the sorbitol and glycerol and tend to exclude from the PZase surface, forcing the enzyme to keep it in the compactly folded conformation. The glycerol molecules stabilized PZase by decreasing the loops flexibility and then compacting the enzyme structure. It appears that more stability of PZase in glycerol solution correlates with its amphiphilic orientation, which decreases the unfavorable interactions of hydrophobic regions.

  17. First Principles Prediction of Structure, Structure Selectivity, and Thermodynamic Stability under Realistic Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Ceder, Gerbrand [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials and Engineering

    2018-01-28

    Novel materials are often the enabler for new energy technologies. In ab-initio computational materials science, method are developed to predict the behavior of materials starting from the laws of physics, so that properties can be predicted before compounds have to be synthesized and tested. As such, a virtual materials laboratory can be constructed, saving time and money. The objectives of this program were to develop first-principles theory to predict the structure and thermodynamic stability of materials. Since its inception the program focused on the development of the cluster expansion to deal with the increased complexity of complex oxides. This research led to the incorporation of vibrational degrees of freedom in ab-initio thermodynamics, developed methods for multi-component cluster expansions, included the explicit configurational degrees of freedom of localized electrons, developed the formalism for stability in aqueous environments, and culminated in the first ever approach to produce exact ground state predictions of the cluster expansion. Many of these methods have been disseminated to the larger theory community through the Materials Project, pymatgen software, or individual codes. We summarize three of the main accomplishments.

  18. Frame Stability of Tunnel‐Structured Cryptomelane Nanofibers: The Role of Tunnel Cations

    DEFF Research Database (Denmark)

    Gao, Tao; Norby, Poul

    2013-01-01

    precursor to the tunnel‐structured cryptomelane, in which the K+ ions play important roles in templating and stabilizing the tunneled framework. The presence of tunnel K+ ions also enhances the frame stability of the cryptomelane nanofibers at elevated temperatures. The formation of a layered KxMn2O4 (x ≈ 0...

  19. Non-operative management is superior to surgical stabilization in spine injury patients with complete neurological deficits: A perspective study from a developing world country, Pakistan.

    Science.gov (United States)

    Shamim, Muhammad Shahzad; Ali, Syed Faizan; Enam, Syed Ather

    2011-01-01

    Surgical stabilization of injured spine in patients with complete spinal cord injury is a common practice despite the lack of strong evidence supporting it. The aim of this study is to compare clinical outcomes and cost-effectiveness of surgical stabilization versus conservative management of spinal injury in patients with complete deficits, essentially from a developing country's point of view. A detailed analysis of patients with traumatic spine injury and complete deficits admitted at the Aga Khan University Hospital, Pakistan, from January 2004 till January 2010 was carried out. All patients presenting within 14 days of injury were divided in two groups, those who underwent stabilization procedures and those who were managed non-operatively. The two groups were compared with the endpoints being time to rehabilitation, length of hospital stay, 30 day morbidity/mortality, cost of treatment, and status at follow up. Fifty-four patients fulfilled the inclusion criteria and half of these were operated. On comparing endpoints, patients in the operative group took longer time to rehabilitation (P-value = 0.002); had longer hospital stay (P-value = 0.006) which included longer length of stay in special care unit (P-value = 0.002) as well as intensive care unit (P-value = 0.004); and were associated with more complications, especially those related to infections (P-value = 0.002). The mean cost of treatment was also significantly higher in the operative group (USD 6,500) as compared to non-operative group (USD 1490) (P-value managed non-operatively with a provision of surgery only if their rehabilitation is impeded due to pain or deformity.

  20. Biomass and species structure of the phytoplankton of an high mountain lake (Lake Paione Superiore, Central Alps, Italy

    Directory of Open Access Journals (Sweden)

    Roberta BETTINETTI

    1999-08-01

    Full Text Available In the framework of the EU MOLAR Project on “Measuring and modelling the dynamic response of remote mountain lake ecosystems to environmental change” a three whole-year study (1996-1998 on the composition and dynamics of phytoplankton community of the high mountain lake, acid sensitive Lago Paione Superiore (LPS was carried out. The data were analyzed and compared with those gathered during the years 1991-1993. The phytoplankton was made up by nanoplanktonic unicellular algae, the only exception being the colonial Dinobryon sertularia. Just four species, belonging to Chrysophyceae (Chromulina sp., Dinobryon sertularia and Mallomonas alveolata and to Dinophyceae (Gymnodinium sp. were important as biomass and density, and they were always present throughout the year. The prevalence of potentially mixotrophic species suggests an adaptive strategy to the low environmental concentrations of inorganic carbon and phosphorus. The seasonal variations of the total biomass were similar to those observed in the previous years. The total number of species has increased; this could be related with the recent increase of the pH and of the alkalinity.

  1. Market structure and the stability and volatility of electricity prices

    International Nuclear Information System (INIS)

    Bask, Mikael; Widerberg, Anna

    2009-01-01

    By using a novel approach in this paper, (λ,σ 2 )-analysis, we have found that electricity prices most of the time have increased in stability and decreased in volatility when the Nordic power market has expanded and the degree of competition has increased. That electricity prices at Nord Pool have been generated by a stochastic dynamic system that most often has become more stable during the step-wise integration of the Nordic power market means that this market is less sensitive to shocks after the integration process than it was before this process. This is good news

  2. Structural stability of DNA origami nanostructures in the presence of chaotropic agents.

    Science.gov (United States)

    Ramakrishnan, Saminathan; Krainer, Georg; Grundmeier, Guido; Schlierf, Michael; Keller, Adrian

    2016-05-21

    DNA origami represent powerful platforms for single-molecule investigations of biomolecular processes. The required structural integrity of the DNA origami may, however, pose significant limitations regarding their applicability, for instance in protein folding studies that require strongly denaturing conditions. Here, we therefore report a detailed study on the stability of 2D DNA origami triangles in the presence of the strong chaotropic denaturing agents urea and guanidinium chloride (GdmCl) and its dependence on concentration and temperature. At room temperature, the DNA origami triangles are stable up to at least 24 h in both denaturants at concentrations as high as 6 M. At elevated temperatures, however, structural stability is governed by variations in the melting temperature of the individual staple strands. Therefore, the global melting temperature of the DNA origami does not represent an accurate measure of their structural stability. Although GdmCl has a stronger effect on the global melting temperature, its attack results in less structural damage than observed for urea under equivalent conditions. This enhanced structural stability most likely originates from the ionic nature of GdmCl. By rational design of the arrangement and lengths of the individual staple strands used for the folding of a particular shape, however, the structural stability of DNA origami may be enhanced even further to meet individual experimental requirements. Overall, their high stability renders DNA origami promising platforms for biomolecular studies in the presence of chaotropic agents, including single-molecule protein folding or structural switching.

  3. Lipoestructura y relleno del polo superior de la mama frente a implantes Structural fat graft and lipofilling of mammary upper pole versus mammary implants

    Directory of Open Access Journals (Sweden)

    J.M. Cervilla Lozano

    2012-09-01

    Full Text Available La lipoestructura mamaria ofrece nuevas alternativas de tratamiento en la cirugía estética de aumento mamario, cumpliendo en algunos casos las expectativas esperadas y en otros no. Analizamos este hecho en 4 tipos de aplicación de lipoestructura mamaria que hemos venido realizando en los últimos años, centrándonos en un aspecto importante de esta cirugía que es el relleno del polo superior de la mama. Los tipos de aplicación empleados son: aumento mamario simple mediante lipoestructura en comparación con implantes; pexia más lipoestructura frente a pexia más implantes mamarios; reconstrucción de mama tuberosa mediante lipoestructura o implantes y finalmente, relleno periprotésico mediante lipoestructura en mamas sometidas a cirugía de aumento mamario con implantes. En definitiva, podríamos resumir este trabajo en una frase diciendo que la lipoestructura mamaria, a nuestro juicio, no sirve si lo que prima es conseguir el relleno del polo superior de la mama, siendo en este caso de elección la colocación de implantes mamarios. No obstante, en alguno de los casos señalados no solo es una alternativa, sino que obtiene resultados superiores a los logrados sólamente con implantes.The mammary structural fat graft offers news treatment options in breast augmentation cosmetic surgery, but it sometimes meets expectations and sometimes doesn´t. We analyze 4 different types of lipostructure mammary applications that we have been using in the last years, focused in an important aspect of this surgery as it´s the filling of the upper mammary pole. These applications are: mammary augmentation by simple structural fat compared with the use of mammary implants; structural fat graft and mastopexy versus implants and mastopexy; tuberous breast reconstruction using structural fat graft or implants and finally, periprosthetic filling in breast augmentation with mammary implants using structural fat graft. In short, we could summarize this paper

  4. Broadband Liquid Dampers to Stabilize Flexible Spacecraft Structures

    NARCIS (Netherlands)

    Kuiper, J.M.

    2012-01-01

    Mass-spring and liquid dampers enable structural vibration control to attenuate single, coupled lateral and torsional vibrations in diverse structures. Out of these, the passively tuned liquid damper (TLD) class is wanted due to its broad applicability, extreme reliability, robustness, long life

  5. The structure and stability of common mental disorders - The NEMESIS Study

    NARCIS (Netherlands)

    Vollebergh, W.A.M.; Iedema, J; Bijl, R.V.; de Graaf, R.; Smit, F.; Ormel, J.

    Background: We analyzed the underlying latent structure of 12-month DSM-III-R diagnoses of 9 common disorders for the general population in the Netherlands. In addition, we sought to establish (1) the stability of the latent structure underlying mental disorders across a 1-year period (structural

  6. Stability of material in dynamics of structural organization

    Directory of Open Access Journals (Sweden)

    Vyrovoy Valery

    2017-01-01

    Full Text Available Formation of the scientific ideology is based on the basic model of the structured medium and demands the formalization of the term «structure». The objects-systems are offered to be present in the form of models. It is shown that the mechanism of structure formation on the solid level where gravity prevails differs from mechanism of structure formation at the level where forces of interparticle interactions dominate. It is asserted that geometrical characteristics of products define conditions of the organization of its integral structure. Rather independent coexistence of various solid levels assumes spontaneous realization of various interconnected events which provides the wholeness and safe functioning of a construction-system.

  7. Theory of lithium islands and monolayers: Electronic structure and stability

    International Nuclear Information System (INIS)

    Quassowski, S.; Hermann, K.

    1995-01-01

    Systematic calculations on planar clusters and monolayers of lithium are performed to study geometries and stabilities of the clusters as well as their convergence behavior with increasing cluster size. The calculations are based on ab initio methods using density-functional theory within the local-spin-density approximation for exchange and correlation. The optimized nearest-neighbor distances d NN of the Li n clusters, n=1,...,25, of both hexagonal and square geometry increase with cluster size, converging quite rapidly towards the monolayer results. Further, the cluster cohesive energies E c increase with cluster size and converge towards the respective monolayer values that form upper bounds. Clusters of hexagonal geometry are found to be more stable than square clusters of comparable size, consistent with the monolayer results. The size dependence of the cluster cohesive energies can be described approximately by a coordination model based on the concept of pairwise additive nearest-neighbor binding. This indicates that the average binding in the Li n clusters and their relative stabilities can be explained by simple geometric effects which derive from the nearest-neighbor coordination

  8. Stabilization

    Directory of Open Access Journals (Sweden)

    Muhammad H. Al-Malack

    2016-07-01

    Full Text Available Fuel oil flyash (FFA produced in power and water desalination plants firing crude oils in the Kingdom of Saudi Arabia is being disposed in landfills, which increases the burden on the environment, therefore, FFA utilization must be encouraged. In the current research, the effect of adding FFA on the engineering properties of two indigenous soils, namely sand and marl, was investigated. FFA was added at concentrations of 5%, 10% and 15% to both soils with and without the addition of Portland cement. Mixtures of the stabilized soils were thoroughly evaluated using compaction, California Bearing Ratio (CBR, unconfined compressive strength (USC and durability tests. Results of these tests indicated that stabilized sand mixtures could not attain the ACI strength requirements. However, marl was found to satisfy the ACI strength requirement when only 5% of FFA was added together with 5% of cement. When the FFA was increased to 10% and 15%, the mixture’s strength was found to decrease to values below the ACI requirements. Results of the Toxicity Characteristics Leaching Procedure (TCLP, which was performed on samples that passed the ACI requirements, indicated that FFA must be cautiously used in soil stabilization.

  9. Silicon/Wolfram Carbide@Graphene composite: enhancing conductivity and structure stability in amorphous-silicon for high lithium storage performance

    International Nuclear Information System (INIS)

    Sun, Wei; Hu, Renzong; Liu, Hui; Zhang, Hanying; Liu, Jiangwen; Yang, Lichun; Wang, Haihui; Zhu, Min

    2016-01-01

    Highlights: • Two-step ball milling was used to produce an amorphous-Si/WC@Graphene(SW@G) composite. • Concrete-like core-shell structure with high stability was designed. • Multiscale WC particle strengthen the inside structure. • Graphene coating outside much enhanced the cycling stability and conductivity. • The SW@G anode exhibited long cycle life and superior volumetric capacity. - Abstract: Improving the electron conductivity and lithiated structure stability for Si anodes can result in high stable capacity in cells. A Silicon/Wolfram Carbide@Graphene (SW@G) composite anode is designed and produced by a simple two-step ball milling the mixture of coarse-grained Si with good conductive wolfram carbide (WC) and graphite. The SW@G composite consists of multiple-scale WC particles, which are uniformly distributed in amorphous Si matrices, and wrapped by graphene nanosheets (GNs) on the outside. Owing to the unique concrete-like core-shell structure, the wrapping of GNs on the Si improves the conductivity and structural stability of the composite. The inner WC particles which tightly connect the Si and graphene act as the cornerstone to resist large volumetric expansion of Si during charge/discharge, and in particular serve as the high-speed channels of electrons as well as provide more interface paths for Li + to accelerate their transfer inside the Si. These contribute to the excellent electrochemical properties of SW@G composite anode, including high volumetric capacity (three times higher than that of graphite), superior rate capability, and long-life stable cycleability. The synthetic method developed in this work paves the way for large-scale manufacturing of high performance Li storage anodes using commercially available materials and technologies.

  10. Structure and Stability of Pt-Y Alloy Particles for Oxygen Reduction Studied by Electron Microscopy

    DEFF Research Database (Denmark)

    Deiana, Davide; Wagner, Jakob Birkedal; Hansen, Thomas Willum

    2015-01-01

    Platinum-yttrium alloy nanoparticles show both a high activity and stability for the oxygen reduction reaction. The catalysts were prepared by magnetron sputter aggregation and mass filtration providing a model catalyst system with a narrow size distribution. The structure and stability of nanost...... the catalyst after reaction and after aging tests shows the development of a core-shell type structure after being exposed to reaction conditions....

  11. Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability

    OpenAIRE

    Školáková, Andrea; Novák, Pavel; Mejzlíková, Lucie; Průša, Filip; Salvetr, Pavel; Vojtěch, Dalibor

    2017-01-01

    In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these allo...

  12. The structure of nuclei far from beta stability

    International Nuclear Information System (INIS)

    Zganjar, E.F.

    1990-01-01

    This report discusses the following topics: shape coexistence, intruder states, and E0 transitions; the Ir isotopes; the Pt isotopes; the Au isotopes; the Hg isotopes; the Tl isotopes; decay properties of 153 Yb and 153 Tm; non-yrast levels structure of 135 Nd via beta decay of 135 Pm; decay of mass-separated 137 Eu and 137 Sm; structure of 130,132 Ce, 132,134 Nd, and 134 Pm; decay of 127 Cs to levels of odd-neutron 127 Xe; level structure of 119 Te; conversion electron spectroscopy in 116 Xe and 126 Xe; signature of the shape coexistence in 72 Kr; identification of transitions in 73 Kr and search for large oblate; high spin states and multiple band structure in 68 Ge; high spin states in 65 Ga and 67 Ga; electron spectroscopy; ion sources; and the on-line nuclear orientation facility

  13. Configurational Model for Conductivity of Stabilized Fluorite Structure Oxides

    DEFF Research Database (Denmark)

    Poulsen, Finn Willy

    1981-01-01

    The formalism developed here furnishes means by which ionic configurations, solid solution limits, and conductivity mechanisms in doped fluorite structures can be described. The present model differs markedly from previous models but reproduces qualitatively reality. The analysis reported...

  14. Design Formulae for Hydraulic Stability and Structural Integrity of Dolos Breakwater Round-Heads

    DEFF Research Database (Denmark)

    Burcharth, H. F.; Jensen, Jacob Birk; Liu, Z.

    1995-01-01

    A rational design of Dolos armour unit should incorporate both the hydraulic stability and the structural integrity. The previous tests performed by Aalborg University (AU) resulted in design formulae for the trunk of a 1:1.5 slope Dolos breakwater without superstructure including both...... the hydraulic stability and the structural integrity. The objective of the round-head tests is to produce similar design formulae for Dolos armour in around-head. The tests will also include examinations of the hydraulic stability and run-up for a trunk section adjacent to the round-head. A run-up formula...

  15. Critical Role of Crystalline Anisotropy in the Stability of Cellular Array Structures in Directional Solidification

    International Nuclear Information System (INIS)

    Kopczynski, P.; Rappel, W.; Karma, A.

    1996-01-01

    We calculate numerically the full Floquet-Bloch stability spectrum of cellular array structures in a symmetric model of directional solidification. Our results demonstrate that crystalline anisotropy critically influences the stability of these structures. Without anisotropy, the stability balloon of cells in the plane of wave number and velocity closes near the onset of morphological instability. With a finite, but even small, amount of anisotropy this balloon remains open and a band of stable solutions persists for higher velocities into a deep cell regime. The width of the balloon depends critically on the anisotropy strength. copyright 1996 The American Physical Society

  16. Oxidative stability of structured lipids produced from sunflower oil and caprylic acid

    DEFF Research Database (Denmark)

    Timm Heinrich, Maike; Xu, Xuebing; Nielsen, Nina Skall

    2003-01-01

    Traditional sunflower oil (SO), randomized lipid (RL) and specific structured lipid (SL), both produced from SO and tricaprylin/caprylic acid, respectively, were stored for up to 12 wk to compare their oxidative stabilities by chemical and sensory analyses. Furthermore, the effect of adding...... a commercial antioxidant blend Grindox 117 (propyl gallate/citric acid/ascorbyl palmitate) or gallic acid to the SL was investigated. The lipid type affected the oxidative stability: SL was less stable than SO and RL. The reduced stability was most likely caused by both the structure of the lipid...

  17. The Structure and Stability of Molybdenum Ditelluride Thin Films

    Directory of Open Access Journals (Sweden)

    Zhouling Wang

    2014-01-01

    Full Text Available Molybdenum-tellurium alloy thin films were fabricated by electron beam evaporation and the films were annealed in different conditions in N2 ambient. The hexagonal molybdenum ditelluride thin films with well crystallization annealed at 470°C or higher were obtained by solid state reactions. Thermal stability measurements indicate the formation of MoTe2 took place at about 350°C, and a subtle weight-loss was in the range between 30°C and 500°C. The evolution of the chemistry for Mo-Te thin films was performed to investigate the growth of the MoTe2 thin films free of any secondary phase. And the effect of other postdeposition treatments on the film characteristics was also investigated.

  18. Structural stability, dynamical stability, thermoelectric properties, and elastic properties of GeTe at high pressure

    Science.gov (United States)

    Kagdada, Hardik L.; Jha, Prafulla K.; Śpiewak, Piotr; Kurzydłowski, Krzysztof J.

    2018-04-01

    The stability of GeTe in rhombohedral (R 3 m ), face centred cubic (F m 3 m ), and simple cubic (P m 3 m ) phases has been studied using density functional perturbation theory. The rhombohedral phase of GeTe is dynamically stable at 0 GPa, while F m 3 m and P m 3 m phases are stable at 3.1 and 33 GPa, respectively. The pressure-dependent phonon modes are observed in F m 3 m and P m 3 m phases at Γ and M points, respectively. The electronic and the thermoelectric properties have been investigated for the stable phases of GeTe. The electronic band gap for rhombohedral and F m 3 m phases of GeTe has been observed as 0.66 and 0.17 eV, respectively, while the P m 3 m phase shows metallic behavior. We have used the Boltzmann transport equation under a rigid band approximation and constant relaxation time approximation as implemented in boltztrap code for the calculation of thermoelectric properties of GeTe. The metallic behavior of P m 3 m phase gives a very low value of Seebeck coefficient compared to the other two phases as a function of temperature and the chemical potential μ. It is observed that the rhombohedral phase of GeTe exhibits higher thermoelectric performance. Due to the metallic nature of P m 3 m phase, negligible thermoelectric performance is observed compared to R 3 m and F m 3 m -GeTe. The calculated lattice thermal conductivities are low for F m 3 m -GeTe and high for R 3 m -GeTe. At the relatively higher temperature of 1350 K, the figure of merit ZT is found to be 0.7 for rhombohedral GeTe. The elastic constants satisfy the Born stability criteria for all three phases. The rhombohedral and F m 3 m phases exhibits brittleness and the P m 3 m phase shows ductile nature.

  19. First-principles calculation of the structural stability of 6d transition metals

    International Nuclear Information System (INIS)

    Oestlin, A.; Vitos, L.

    2011-01-01

    The phase stability of the 6d transition metals (elements 103-111) is investigated using first-principles electronic-structure calculations. Comparison with the lighter transition metals reveals that the structural sequence trend is broken at the end of the 6d series. To account for this anomalous behavior, the effect of relativity on the lattice stability is scrutinized, taking different approximations into consideration. It is found that the mass-velocity and Darwin terms give important contributions to the electronic structure, leading to changes in the interstitial charge density and, thus, in the structural energy difference.

  20. Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability

    Directory of Open Access Journals (Sweden)

    Andrea Školáková

    2017-11-01

    Full Text Available In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these alloys and very good values of mechanical properties. Alloying by chromium ensured the highest thermal stability, while nickel addition refined the structure of the consolidated alloy. High thermal stability of all tested alloys was described in context with the transformation of the quasicrystalline phases to other types of intermetallics.

  1. Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability.

    Science.gov (United States)

    Školáková, Andrea; Novák, Pavel; Mejzlíková, Lucie; Průša, Filip; Salvetr, Pavel; Vojtěch, Dalibor

    2017-11-05

    In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these alloys and very good values of mechanical properties. Alloying by chromium ensured the highest thermal stability, while nickel addition refined the structure of the consolidated alloy. High thermal stability of all tested alloys was described in context with the transformation of the quasicrystalline phases to other types of intermetallics.

  2. In situ generation of highly dispersed metal nanoparticles on two-dimensional layered SiO2 by topotactic structure conversion and their superior catalytic activity

    Science.gov (United States)

    Chen, Zhe; Jia, Da-Shuang; Zhou, Yue; Hao, Jiang; Liang, Yu; Cui, Zhi-Min; Song, Wei-Guo

    2018-03-01

    Metal nanoparticles such as Ag, Cu and Fe are effective catalysts for many reactions, whereas a facile method to prepare metal nanoparticles with high uniformed dispersion is still desirable. Herein, the topotactic structure conversion of layered silicate, RUB-15, was utilized to support metal nanoparticles. Through simple ion-exchange and following calcination step, metal nanoparticles were generated in situ inside the interlayer space of layered silica, and the topotactic structure conversion process assured nano-sized and highly uniformed dispersion of metal nanoparticles. The obtained Ag/SiO2 composite showed superior catalytic activity for the reduction of 4-nitrophenol (4-NP) and methylene blue (MB), with a rate constant as high as 0.0607 s-1 and 0.0778 s-1. The simple and universal synthesis method as well as high activity of the product composite endow the strategy good application prospect.

  3. Structural and magnetic stability of Fe2NiSi

    International Nuclear Information System (INIS)

    Gupta, Dinesh C.; Bhat, Idris Hamid; Chauhan, Mamta

    2014-01-01

    Full-potential ab-initio calculations in the stable F-43m phase have been performed to investigate the structural and magnetic properties of Fe 2 NiSi inverse Heusler alloys. The spin magnetic moment distributions show that present material is ferromagnetic in stable F-43m phase. Further, spin resolved electronic structure calculations show that the discrepancy in magnetic moments of Fe-I and Fe-II depend upon the hybridization of Fe with the main group element. It is found that the main group electron concentration is predominantly responsible in establishing the magnetic properties, formation of magnetic moments and the magnetic order for present alloy

  4. Stability of Ruddlesden-Popper-structured oxides in humid conditions

    Science.gov (United States)

    Lehtimäki, M.; Yamauchi, H.; Karppinen, M.

    2013-08-01

    Some of layered transition-metal oxides are known to react with atmospheric humidity to form through topotactic intercalation reactions new water-containing layered structures. Here we investigate the influence of oxygen content (7-δ) of the Ruddlesden-Popper-structured Sr3FeMO7-δ (M=Ni, Mn, Ti) oxides on the water-intercalation reaction. It is found that their oxygen contents influence greatly the reactivity of the phases with water. Other factors possibly affecting the reactivity are discussed on the basis of the present data in combination with a comprehensive review of previous works on Ruddlesden-Popper and related layered oxide phases.

  5. Nash Stability in Additively Separable Hedonic Games and Community Structures

    DEFF Research Database (Denmark)

    Olsen, Martin

    2009-01-01

      We prove that the problem of deciding whether a Nash stable   partition exists in an Additively Separable Hedonic Game is   NP-complete. We also show that the problem of deciding whether a   non trivial Nash stable partition exists in an   Additively Separable Hedonic Game with   non......-negative and symmetric   preferences is NP-complete. We motivate our study of the   computational complexity by linking Nash stable partitions in   Additively Separable Hedonic Games to community structures in   networks. Our results formally justify that computing community   structures in general is hard....

  6. Graphene-insulator-semiconductor capacitors as superior test structures for photoelectric determination of semiconductor devices band diagrams

    Directory of Open Access Journals (Sweden)

    K. Piskorski

    2018-05-01

    Full Text Available We report on the advantages of using Graphene-Insulator-Semiconductor (GIS instead of Metal-Insulator-Semiconductor (MIS structures in reliable and precise photoelectric determination of the band alignment at the semiconductor-insulator interface and of the insulator band gap determination. Due to the high transparency to light of the graphene gate in GIS structures large photocurrents due to emission of both electrons and holes from the substrate and negligible photocurrents due to emission of carriers from the gate can be obtained, which allows reliable determination of barrier heights for both electrons, Ee and holes, Eh from the semiconductor substrate. Knowing the values of both Ee and Eh allows direct determination of the insulator band gap EG(I. Photoelectric measurements were made of a series of Graphene-SiO2-Si structures and an example is shown of the results obtained in sequential measurements of the same structure giving the following barrier height values: Ee = 4.34 ± 0.01 eV and Eh = 4.70 ± 0.03 eV. Based on this result and results obtained for other structures in the series we conservatively estimate the maximum uncertainty of both barrier heights estimations at ± 0.05 eV. This sets the SiO2 band gap estimation at EG(I = 7.92 ± 0.1 eV. It is shown that widely different SiO2 band gap values were found by research groups using various determination methods. We hypothesize that these differences are due to different sensitivities of measurement methods used to the existence of the SiO2 valence band tail.

  7. Graphene-insulator-semiconductor capacitors as superior test structures for photoelectric determination of semiconductor devices band diagrams

    Science.gov (United States)

    Piskorski, K.; Passi, V.; Ruhkopf, J.; Lemme, M. C.; Przewlocki, H. M.

    2018-05-01

    We report on the advantages of using Graphene-Insulator-Semiconductor (GIS) instead of Metal-Insulator-Semiconductor (MIS) structures in reliable and precise photoelectric determination of the band alignment at the semiconductor-insulator interface and of the insulator band gap determination. Due to the high transparency to light of the graphene gate in GIS structures large photocurrents due to emission of both electrons and holes from the substrate and negligible photocurrents due to emission of carriers from the gate can be obtained, which allows reliable determination of barrier heights for both electrons, Ee and holes, Eh from the semiconductor substrate. Knowing the values of both Ee and Eh allows direct determination of the insulator band gap EG(I). Photoelectric measurements were made of a series of Graphene-SiO2-Si structures and an example is shown of the results obtained in sequential measurements of the same structure giving the following barrier height values: Ee = 4.34 ± 0.01 eV and Eh = 4.70 ± 0.03 eV. Based on this result and results obtained for other structures in the series we conservatively estimate the maximum uncertainty of both barrier heights estimations at ± 0.05 eV. This sets the SiO2 band gap estimation at EG(I) = 7.92 ± 0.1 eV. It is shown that widely different SiO2 band gap values were found by research groups using various determination methods. We hypothesize that these differences are due to different sensitivities of measurement methods used to the existence of the SiO2 valence band tail.

  8. The stability and dynamic behaviour of fluid-loaded structures

    CSIR Research Space (South Africa)

    Suliman, Ridhwaan

    2015-07-01

    Full Text Available The deformation of slender elastic structures due to the bulk motion of fluid around it is a common multiphysics problem encountered in many applications. In this work we implement two computational FSI approaches in a partitioned manner: a finite...

  9. Factor Structure, Stability, and Congruence in the Functional Movement Screen

    Science.gov (United States)

    Kelleher, Leila K.; Beach, Tyson A. C.; Frost, David M.; Johnson, Andrew M.; Dickey, James P.

    2018-01-01

    The scoring scheme for the functional movement screen implicitly assumes that the factor structure is consistent, stable, and congruent across different populations. To determine if this is the case, we compared principal components analyses of three samples: a healthy, general population (n = 100), a group of varsity athletes (n = 101), and a…

  10. Global stability-based design optimization of truss structures using ...

    Indian Academy of Sciences (India)

    Furthermore, a pure pareto-ranking based multi-objective optimization model is employed for the design optimization of the truss structure with multiple objectives. The computational performance of the optimization model is increased by implementing an island model into its evolutionary search mechanism. The proposed ...

  11. Type of disturbance and ecological history determine structural stability.

    NARCIS (Netherlands)

    van der Wurff, A.W.G.; Kools, S.A.E.; Boivin, M.E.; van den Brink, P.J.; van den Megen, H.H.M.; Riksen, J.A.G.; Doroszuk, A.; Kammenga, J.E.

    2007-01-01

    This study aims to reveal whether complexity, namely, community and trophic structure, of chronically stressed soil systems is at increased risk or remains stable when confronted with a subsequent disturbance. Therefore, we focused on a grassland with a history of four centuries of patchy

  12. Type of disturbance and ecological history determine structural stability

    NARCIS (Netherlands)

    Wurff, van der A.W.G.; Kools, S.A.E.; Boivin, M.E.Y.; Brink, van den P.J.; Megen, van H.H.B.; Riksen, J.A.G.; Doroszuk, A.; Kammenga, J.E.

    2007-01-01

    This study aims to reveal whether complexity, namely, community and trophic structure, of chronically stressed soil systems is at increased risk or remains stable when confronted with a subsequent disturbance. Therefore, we focused on a grassland with a history of four centuries of patchy

  13. STABILIZATION OF A FAILED SLOPE WITH PILED STRUCTURES

    Directory of Open Access Journals (Sweden)

    M. Rifat KAHYAOĞLU

    2008-01-01

    Full Text Available Neogene aged units of a densely populated region of Western Turkey along the Aegean Sea coastline is susceptible to landslides causing frequent economic loss especially following raining seasons. Several landslides took place in the area covering a narrow band of the coastline between Izmir and Söke (Aydın. Countermeasures against these relatively small-scale slope failures in the region often involve construction of either reinforced concrete retaining walls or stabilizing piles, which can be easily constructed by local contractors. In this study borings, in-situ and laboratory soil mechanics tests, geophysical and geological investigations have been performed in order to investigate the landslide occurred in the yard of an elementary school in Söke township. The analysis of two rows of piled retaining system constructed to reuse the school building against a potential slides are presented. Three inclinometer measurements have been performed after completion of the bored pile system. It has been concluded that the measured and the calculated displacement values are both small. There is no problem of the built project by means of moments and displacements.

  14. Relativistic structure, stability, and gravitational collapse of charged neutron stars

    International Nuclear Information System (INIS)

    Ghezzi, Cristian R.

    2005-01-01

    Charged stars have the potential of becoming charged black holes or even naked singularities. We present a set of numerical solutions of the Tolman-Oppenheimer-Volkov equations that represents spherical charged compact stars in hydrostatic equilibrium. The stellar models obtained are evolved forward in time integrating the Einstein-Maxwell field equations. We assume an equation of state of a neutron gas at zero temperature. The charge distribution is taken as being proportional to the rest mass density distribution. The set of solutions present an unstable branch, even with charge-to-mass ratios arbitrarily close to the extremum case. We perform a direct check of the stability of the solutions under strong perturbations and for different values of the charge-to-mass ratio. The stars that are in the stable branch oscillate and do not collapse, while models in the unstable branch collapse directly to form black holes. Stars with a charge greater than or equal to the extreme value explode. When a charged star is suddenly discharged, it does not necessarily collapse to form a black hole. A nonlinear effect that gives rise to the formation of a shell of matter (in supermassive stars), is negligible in the present simulations. The results are in agreement with the third law of black hole thermodynamics and with the cosmic censorship conjecture

  15. Apinhamento ântero-superior: revisão e análise crítica da literatura Maxillary crowding and long-term stability: a review of literature

    Directory of Open Access Journals (Sweden)

    Patrícia Paschoal Martins

    2007-04-01

    Full Text Available INTRODUÇÃO: o tratamento do apinhamento dentário da região anterior superior e inferior é comumente acometido pela recidiva, entretanto a maior parte dos estudos aborda apenas a estabilidade do tratamento do arco dentário inferior. OBJETIVO: este artigo propõe uma revisão e análise crítica da literatura, enfatizando os fatores etiológicos do apinhamento dentário, as diversas formas de tratamento e a recidiva no arco superior, considerando o plano de tratamento, os fatores periodontais e a expansão rápida da maxila. CONCLUSÕES: a severidade inicial da má oclusão, as alterações dimensionais dos arcos dentários e as alterações na fisiologia do ligamento periodontal são os principais fatores etiológicos de recidiva. O estudo da etiologia da recidiva permite ao ortodontista o correto planejamento dos casos clínicos e a previsibilidade da estabilidade pós-contenção.INTRODUCTION: The treatment of crowding of maxillary and mandibular anterior teeth commonly suffers relapse. Therefore, major studies focus only on stability of mandibular anterior segment. OBJECTIVE: This article propose a review and critical analysis of the literature, emphasizing the etiologic factors of incisors crowding, the various treatment plans and the relapse of the maxillary anterior segment, considering the treatment protocols, the periodontal factors and the rapid maxillary expansion. CONCLUSIONS: The main factors influencing the relapse are the severity of the initial malocclusion, the changes in arch dimensions and the changes in physiology of periodontal tissue. The study of the causes of relapse is important to help in achieving a correct treatment planning and to predict the postretention stability.

  16. Novel photocatalyst gold nanoparticles with dumbbell-like structure and their superiorly photocatalytic performance for ammonia borane hydrolysis

    Science.gov (United States)

    Zhu, Mingyun; Dai, Yunqian; Fu, Wanlin; Wu, Yanan; Zou, Xixi; You, Tengye; Sun, Yueming

    2018-04-01

    Gold nanoparticles (Au NPs) have attracted remarkable research interest in heterogeneous catalysis due to their unique physical and chemical properties. However, only small-sized Au NPs (power of a single Au nanoparticle (Ps) and turnover frequency of AB molecules within 10 min of D-Au NPs are 52.5 and 3.89 times higher, respectively, than those of spherical Au NPs; (ii) the extinction coefficient and Ps of D-Au NPs are almost 2.72 and 2.42 times as high, respectively, as those of rod-like Au NPs, demonstrating the promoting structure-property relationship of the dumbbell-like structure; (iii) when the pH value of the AB solution was lower than 6.0, the hydrolysis rate was highly promoted, indicating that H+ ions play an active role in the hydrolysis process. This work greatly extends the application of noble metals and provides a new insight into AB hydrolysis.

  17. Correlation between local structure and stability of supercooled liquid state in Zr-based metallic glasses

    International Nuclear Information System (INIS)

    Saida, Junji; Imafuku, Muneyuki; Sato, Shigeo; Sanada, Takashi; Matsubara, Eiichiro; Inoue, Akihisa

    2007-01-01

    The correlation between the local structure and stability of supercooled liquid state is investigated in the Zr 70 (Ni, Cu) 30 binary and Zr 70 Al 10 (Ni, Cu) 20 (numbers indicate at.%) ternary metallic glasses. The Zr 70 Ni 30 binary amorphous alloy with a low stability of supercooled liquid state has a tetragonal Zr 2 Ni-like local structure around Ni atom. Meanwhile, the Zr 70 Cu 30 binary metallic glass has a different local structure of tetragonal Zr 2 Cu, where we suggest the icosahedral local structure by the quasicrystallization behavior in addition of a very small amount of noble metals. The effect of Al addition on the local structure in the Zr-Ni alloy is also examined. We have investigated that the dominant local structure changes in the icosahedral-like structure from the tetragonal Zr 2 Ni-like local structure by the Al substitution with Ni accompanying with the significant stabilization of supercooled liquid state. It is concluded that the formation of icosahedral local structure contributes to the enhancement of stability of supercooled liquid state in the Zr-based alloys

  18. The effect of relativity on stability of Copernicium phases, their electronic structure and mechanical properties

    Science.gov (United States)

    Čenčariková, Hana; Legut, Dominik

    2018-05-01

    The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term, mass-velocity, and spin-orbit interaction with the single electron framework of the density functional theory while treating the exchange and correlation effects using local density approximations. It is found that the spin-orbit coupling is the key component to stabilize the body-centered cubic (bcc) structure over the hexagonal closed packed (hcp) structure, which is in accord with Sol. Stat. Comm. 152 (2012) 530, but in contrast to Atta-Fynn and Ray (2015) [11], Gaston et al. (2007) [10], Papaconstantopoulos (2015) [9]. It seems that the main role here is the correct description of the semi-core relativistic 6p1/2 orbitals. The all other investigated structures, i.e. face-centered cubic (fcc) , simple cubic (sc) as well as rhombohedral (rh) structures are higher in energy. The criteria of mechanical stability were investigated based on the calculated elastic constants, identifying the phase instability of fcc and rh structures, but surprisingly confirm the stability of the energetically higher sc structure. In addition, the pressure-induced structural transition between two stable sc and bcc phases has been detected. The ground-state bcc structure exhibits the highest elastic anisotropy from single elements of the Periodic table. At last, we support the experimental findings that Copernicium is a metal.

  19. Redox Additive-Improved Electrochemically and Structurally Robust Binder-Free Nickel Pyrophosphate Nanorods as Superior Cathode for Hybrid Supercapacitors.

    Science.gov (United States)

    Sankar, Kalimuthu Vijaya; Seo, Youngho; Lee, Su Chan; Chan Jun, Seong

    2018-03-07

    For several decades, one of the great challenges for constructing a high-energy supercapacitor has been designing electrode materials with high performance. Herein, we report for the first time to our knowledge a novel hybrid supercapacitor composed of battery-type nickel pyrophosphate one-dimensional (1D) nanorods and capacitive-type N-doped reduced graphene oxide as the cathode and anode, respectively, in an aqueous redox-added electrolyte. More importantly, ex situ microscopic images of the nickel pyrophosphate 1D nanorods revealed that the presence of the battery-type redox additive enhanced the charge storage capacity and cycling life as a result of the microstructure stability. The nickel pyrophosphate 1D nanorods exhibited their maximum specific capacitance (8120 mF cm -2 at 5 mV s -1 ) and energy density (0.22 mWh cm -2 at a power density of 1.375 mW cm -2 ) in 1 M KOH + 75 mg K 3 [Fe(CN) 6 ] electrolyte. On the other side, the N-doped reduced graphene oxide delivered an excellent electrochemical performance, demonstrating that it was an appropriate anode. A hybrid supercapacitor showed a high specific capacitance (224 F g -1 at a current density of 1 A g -1 ) and high energy density (70 Wh kg -1 at a power density of 750 W kg -1 ), as well as a long cycle life (a Coulombic efficiency of 96% over 5000 cycles), which was a higher performance than most of those in recent reports. Our results suggested that the materials and redox additive in this novel design hold great promise for potential applications in a next-generation hybrid supercapacitor.

  20. Embedding Co3O4 nanoparticles into graphene nanoscrolls as anode for lithium ion batteries with superior capacity and outstanding cycling stability

    Directory of Open Access Journals (Sweden)

    Zhigang Zhang

    2018-04-01

    Full Text Available Co3O4 is a promising high-performance anode for lithium ion batteries (LIBs, but suffers from unsatisfied cyclability originating duo to low electrical conductivity and large volume expansion during charge and discharge process. Herein, we successfully constructed the Co3O4 nanoparticles embedded into graphene nanoscrolls (GNSs as advanced anode for high-performance LIBs with large capacity and exceptional cyclability. The one-dimensional (1D Co3O4/GNSs were synthesized via liquid nitrogen cold quenching of large-size graphene oxide nanosheets and sodium citrate (SC modified Co3O4 nanoparticles, followed by freeze drying and annealing at 400 °C for 2 h in nitrogen atmosphere. Benefiting from the interconnected porous network constructed by 1D Co3O4/GNSs for fast electron transfer and rapid ion diffusion, and wrinkled graphene shell for significantly alleviating the huge volume expansion of Co3O4 during lithiation and delithiation. The resultant Co3O4/GNSs exhibited ultrahigh reversible capacity of 1200 mAh g−1 at 0.1 C, outperforming most reported Co3O4 anodes. Moreover, they showed high rate capability of 600 mAh g−1 at 5 C, and outstanding cycling stability with a high capacity retention of 90% after 500 cycles. Therefore, this developed strategy could be extended as an universal and scalable approach for intergrating various metal oxide materials into GNSs for energy storage and conversion applications. Keywords: Graphene nanoscrolls, Co3O4, Anode, Lithium ion batteries, Energy storage

  1. Structure and stability of BaTiSi₂O₇.

    Science.gov (United States)

    Viani, Alberto; Palermo, Andrea; Zanardi, Stefano; Demitri, Nicola; Petrícek, Václav; Varini, Federico; Belluso, Elena; Ståhl, Kenny; Gualtieri, Alessandro Francesco

    2015-04-01

    Due to their optical, photo-luminescence (PL), and afterglow properties, barium titanosilicates are compounds of great interest for functional materials and light-emitting devices. Among them, BaTiSi2O7 (BTS2) is certainly one of the most intriguing; it displays peculiar properties (e.g. PL orange emission) whose exhaustive explanation has been hampered to date by the lack of a structure model. In this work, BTS2 and the related compound BaTiSi4O11 (BTS4) were synthesized through conventional solid-state reaction methods. BTS2 invariably shows complex twinning patterns. Thus, its structure solution and Rietveld structure refinement were attempted using synchrotron powder diffraction. BTS2 was found to be an intergrowth of monoclinic and triclinic crystals. The monoclinic phase has the space group P21/n and unit cell a = 7.9836 (3), b = 10.0084 (4), c = 7.4795 (3) Å, and β = 100.321 (3)°, whereas the triclinic phase has the space group P\\bar 1 and unit cell a = 7.99385 (4), b = 10.01017 (5), c = 7.47514 (3) Å, α = 90.084 (8), β = 100.368 (8) and γ = 89.937 (9)°. These lattices can be seen as a distortion of that of tetragonal synthetic β-BaVSi2O7 with Ti in place of V. The structure models obtained from this study confirm the presence of fivefold coordinated Ti atoms in a distorted pyramidal configuration. The proposed solution supports existing theories for the explanation of the PL orange colour in BTS2.

  2. Structural Integrity and Hydraulic Stability of Dolos Armour Layers

    DEFF Research Database (Denmark)

    Burcharth, H. F.

    A method for development of design diagrams to ensure structural integrity of slender unreinforced concrete breakwater armour units is presented. The method is based on experimental data from small scale flume tests as well as impact loading of prototype and small scale units. A prerequisite......-parameter characterization makes it possible to develop simple design diagrams for engineering purposes. Specific design diagrams for integrity of Dolos armour units with the waist ratio as a variable have been produced....

  3. Structure stability index allocation theory and measurement of laser prototype facility

    International Nuclear Information System (INIS)

    Zhang Junwei; China Academy of Engineering Physics, Mianyang; Zhou Hai; Feng Bin; Lin Donghui; Jing Feng; Zhou Yi; Wang Shilong

    2008-01-01

    Structure stability is an important design index of ICF driver. Based on laser prototype facility(TIL) design characteristic of multi-pass amplifier and frame structure, the optical matrix is used to analyze the single optical element influence on the beam drift and get the mathematic model. Considering all the optical elements influence on the beam drift, the mathematic model of the optical element stability index allocation is built, the parameter relation of the mathematic model is defined according to the structure characteristic of TIL, the stability index of each optical element is got as the support structure design index. Charge-coupled device(CCD) detect technology is used to measure the general beam stability of TIL. The root mean square beam drift in x and y direction are 2.78 μm, the difference between peak and valley values are 14.4 μm and 15.60 μm, respectively. The result indicates that the stability drift of the prototype facility can satisfy the design requirement, the way of the stability allocation is reasonable. (authors)

  4. Range and stability of structural colors generated by Morpho-inspired color reflectors.

    Science.gov (United States)

    Chung, Kyungjae; Shin, Jung H

    2013-05-01

    The range and stability of structural colors generated by Morpho-inspired color reflectors are investigated. We find that despite the internal randomness of such structures that gives rise to their Morpho-like angle-independent iridescence, their colors under ambient lighting condition can be predicted by simple transfer-matrix calculations of corresponding planar multilayer structures. By calculating the possible range of colors generated by multilayers of different structures and material combinations using such transfer-matrix methods, we find that low-refractive index multilayers with intrastructure absorption, such as the melanin-containing chitin/air multilayer structure from the Morpho butterflies, can provide not only the most pure structural colors with the largest color gamut, but also the highest stability of color against variations in multilayer structure.

  5. Oxidative stability during storage of structured lipids produced from fish oil and caprylic acid

    DEFF Research Database (Denmark)

    Nielsen, Nina Skall; Xu, Xuebing; Timm Heinrich, Maike

    2004-01-01

    Structured lipids produced by enzymatic or chemical methods for different applications have been receiving considerable attention. The oxidative stability of a randomized structured lipid (RFO), produced by chemical interesterification from fish oil (FO) and tricaprylin, and a specific structured...... lipid (SFO), produced by enzymatic interesterification from the same oil and caprylic acid, was compared with the stability of FO. Oils were stored at 2degreesC for 11 wk followed by storage at 20degreesC for 6 wk. In addition, the antioxidative effect of adding the metal chelators EDTA or citric acid...

  6. Effects of PEG size on structure, function and stability of PEGylated BSA

    DEFF Research Database (Denmark)

    Plesner, Bitten; Fee, Conan J.; Westh, Peter

    2011-01-01

    The effects of PEGylation on the structural, thermal and functional stability of bovine serum albumin (BSA) were investigated using BSA and 6 linear mono-PEGylated BSA compounds. The secondary and tertiary structure of BSA measured by circular dichroism (CD) was independent of PEGylation. In cont...

  7. Structural properties and out-of-plane stability of roller bent steel arches

    NARCIS (Netherlands)

    Spoorenberg, R.C.

    2011-01-01

    In contemporary architecture the use of steel arches has seen a significant increase. They are applied in buildings and large span bridges, combining structural design with architectural merits. For arches lacking lateral support (or freestanding arches) the out-of-plane structural stability

  8. Stability of Ruddlesden–Popper-structured oxides in humid conditions

    International Nuclear Information System (INIS)

    Lehtimäki, M.; Yamauchi, H.; Karppinen, M.

    2013-01-01

    Some of layered transition-metal oxides are known to react with atmospheric humidity to form through topotactic intercalation reactions new water-containing layered structures. Here we investigate the influence of oxygen content (7−δ) of the Ruddlesden–Popper-structured Sr 3 FeMO 7−δ (M=Ni, Mn, Ti) oxides on the water-intercalation reaction. It is found that their oxygen contents influence greatly the reactivity of the phases with water. Other factors possibly affecting the reactivity are discussed on the basis of the present data in combination with a comprehensive review of previous works on Ruddlesden–Popper and related layered oxide phases. - Graphical abstract: Many of the Ruddlesden–Popper-structured A 3 B 2 O 7−δ oxides readily react with water via intercalation reactions. Three possible factors affecting the water intercalation are identified: oxygen content of the phase, ionic radius of cation A and valence state of cation B. The resultant layered water-derivative phases can be categorised into two groups, depending on the crystal symmetry of the phase. Highlights: • Ruddlesden–Popper oxides A 3 B 2 O 7−δ often accommodate water via intercalation reaction. • The lower the oxygen content 7−δ is the more readily the intercalation reaction occurs. • The second factor promoting the reaction is the large size of cation A. • The third possible factor is the high valence state of cation B. • Resultant water-derivatives can be categorised into two groups depending on symmetry

  9. Stability of Ruddlesden–Popper-structured oxides in humid conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lehtimäki, M.; Yamauchi, H.; Karppinen, M., E-mail: maarit.karppinen@aalto.fi

    2013-08-15

    Some of layered transition-metal oxides are known to react with atmospheric humidity to form through topotactic intercalation reactions new water-containing layered structures. Here we investigate the influence of oxygen content (7−δ) of the Ruddlesden–Popper-structured Sr{sub 3}FeMO{sub 7−δ} (M=Ni, Mn, Ti) oxides on the water-intercalation reaction. It is found that their oxygen contents influence greatly the reactivity of the phases with water. Other factors possibly affecting the reactivity are discussed on the basis of the present data in combination with a comprehensive review of previous works on Ruddlesden–Popper and related layered oxide phases. - Graphical abstract: Many of the Ruddlesden–Popper-structured A{sub 3}B{sub 2}O{sub 7−δ} oxides readily react with water via intercalation reactions. Three possible factors affecting the water intercalation are identified: oxygen content of the phase, ionic radius of cation A and valence state of cation B. The resultant layered water-derivative phases can be categorised into two groups, depending on the crystal symmetry of the phase. Highlights: • Ruddlesden–Popper oxides A{sub 3}B{sub 2}O{sub 7−δ} often accommodate water via intercalation reaction. • The lower the oxygen content 7−δ is the more readily the intercalation reaction occurs. • The second factor promoting the reaction is the large size of cation A. • The third possible factor is the high valence state of cation B. • Resultant water-derivatives can be categorised into two groups depending on symmetry.

  10. On dependence of stability of lanthanum complexes with aminopolycarboxylic acids on the complex structure

    International Nuclear Information System (INIS)

    Poluehktov, N.S.; Meshkova, S.B.; Danilkovich, M.M.; Topilova, Z.M.

    1985-01-01

    Regularities in changes of stability constants of lanthanum complexes with aminopolycarboxylic acids (APA) versus their structure are studied, The stability of lathanum-APA complexes depends mainly on the number of carboxyl groups in a ligand molecule. At that, the highest stability constant is characteristic of a complex with a ligand, containing 3 nitrogen atoms and 5 carboxyl groups, in the presenoe of which the lanthanum ion coordination sphere gets satupated. The oxyethy group introduction into a ligand molecule also improves the lanthanum complex stability but to a lesser degree than during the introduction of a carboxyl group. The number of nitrogen atoms in a ligand polecule affects insignificantly the complex stability constant value, and the elongation of a chain of CH 2 groups, separating nitrogen atoms, reduces the constant to a -0.6 power

  11. Dissecting the structure of surface stabilizer on the dispersion of inorganic nanoparticles in aqueous medium

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Yong; Yu, Zongzhi; Zheng, Junping, E-mail: jpzheng@tju.edu.cn [Tianjin University, Tianjin Key Laboratory of Composite and Functional Materials, School of Materials Science and Engineering (China)

    2017-03-15

    Dispersing inorganic nanoparticles in aqueous solutions is a key requirement for a great variety of products and processes, including carriers in drug delivery or fillers in polymers. To be highly functional in the final product, inorganic particles are required to be finely dispersed in nanoscale. In this study, silica was selected as a representative inorganic particle. Surface stabilizers with different chain length and charged group were designed to reveal the influence of electrostatic and van der Waals forces between silica and stabilizer on the dispersion of silica particles in aqueous medium. Results showed surface stabilizer with longer alkyl chain and charged group exerted best ability to deaggregate silica, leading to a hydrodynamic size of 51.1 nm. Surface stabilizer designing with rational structure is a promising solution for deagglomerating and reducing process time and energy. Giving the designability and adaptability of surface stabilizer, this method is of potential for dispersion of other inorganic nanoparticles.

  12. Dissecting the structure of surface stabilizer on the dispersion of inorganic nanoparticles in aqueous medium

    Science.gov (United States)

    Ding, Yong; Yu, Zongzhi; Zheng, Junping

    2017-03-01

    Dispersing inorganic nanoparticles in aqueous solutions is a key requirement for a great variety of products and processes, including carriers in drug delivery or fillers in polymers. To be highly functional in the final product, inorganic particles are required to be finely dispersed in nanoscale. In this study, silica was selected as a representative inorganic particle. Surface stabilizers with different chain length and charged group were designed to reveal the influence of electrostatic and van der Waals forces between silica and stabilizer on the dispersion of silica particles in aqueous medium. Results showed surface stabilizer with longer alkyl chain and charged group exerted best ability to deaggregate silica, leading to a hydrodynamic size of 51.1 nm. Surface stabilizer designing with rational structure is a promising solution for deagglomerating and reducing process time and energy. Giving the designability and adaptability of surface stabilizer, this method is of potential for dispersion of other inorganic nanoparticles.

  13. Trophic structure and community stability in an overfished ecosystem

    KAUST Repository

    Utne-Palm, Anne Christine

    2010-07-15

    Since the collapse of the pelagic fisheries off southwest Africa in the late 1960s, jellyfish biomass has increased and the structure of the Benguelan fish community has shifted, making the bearded goby (Sufflogobius bibarbatus) the new predominant prey species. Despite increased prédation pressure and a harsh environment, the gobies are thriving. Here we show that physiological adaptations and antipredator and foraging behaviors underpin the success of these fish. In particular, body-tissue isotope signatures reveal that gobies consume jellyfish and sulphidic diatomaceous mud, transferring "dead-end" resources back into the food chain.

  14. Trophic structure and community stability in an overfished ecosystem

    KAUST Repository

    Utne-Palm, Anne Christine; Salvanes, Anne Gro Vea; Currie, Bronwen; Kaartvedt, Stein; Nilsson, Gö ran E.; Braithwaite, Victoria A.; Stecyk, Jonathan A W; Hundt, Matthias; Van Der Bank, Megan G.; Flynn, Bradley A.; Sandvik, Guro Katrine; Klevjer, Thor Aleksander; Sweetman, Andrew K.; Brü chert, Volker; Pittman, Karin A.; Peard, Kathleen R.; Lunde, Ida Gjervold; Strandaba, R. A U; Gibbons, Mark J.

    2010-01-01

    Since the collapse of the pelagic fisheries off southwest Africa in the late 1960s, jellyfish biomass has increased and the structure of the Benguelan fish community has shifted, making the bearded goby (Sufflogobius bibarbatus) the new predominant prey species. Despite increased prédation pressure and a harsh environment, the gobies are thriving. Here we show that physiological adaptations and antipredator and foraging behaviors underpin the success of these fish. In particular, body-tissue isotope signatures reveal that gobies consume jellyfish and sulphidic diatomaceous mud, transferring "dead-end" resources back into the food chain.

  15. Contact angles of wetting and water stability of soil structure

    Science.gov (United States)

    Kholodov, V. A.; Yaroslavtseva, N. V.; Yashin, M. A.; Frid, A. S.; Lazarev, V. I.; Tyugai, Z. N.; Milanovskiy, E. Yu.

    2015-06-01

    From the soddy-podzolic soils and typical chernozems of different texture and land use, dry 3-1 mm aggregates were isolated and sieved in water. As a result, water-stable aggregates and water-unstable particles composing dry 3-1 mm aggregates were obtained. These preparations were ground, and contact angles of wetting were determined by the static sessile drop method. The angles varied from 11° to 85°. In most cases, the values of the angles for the water-stable aggregates significantly exceeded those for the water-unstable components. In terms of carbon content in structural units, there was no correlation between these parameters. When analyzing the soil varieties separately, the significant positive correlation between the carbon content and contact angle of aggregates was revealed only for the loamy-clayey typical chernozem. Based on the multivariate analysis of variance, the value of contact wetting angle was shown to be determined by the structural units belonging to water-stable or water-unstable components of macroaggregates and by the land use type. In addition, along with these parameters, the texture has an indirect effect.

  16. Swelling, Structure, and Phase Stability of Soft, Compressible Microgels

    Science.gov (United States)

    Denton, Alan R.; Urich, Matthew

    Microgels are soft colloidal particles that swell when dispersed in a solvent. The equilibrium particle size is governed by a delicate balance of osmotic pressures, which can be tuned by varying single-particle properties and externally controlled conditions, such as temperature, pH, ionic strength, and concentration. Because of their tunable size and ability to encapsulate dye or drug molecules, microgels have practical relevance for biosensing, drug delivery, carbon capture, and filtration. Using Monte Carlo simulation, we model suspensions of microgels that interact via Hertzian elastic interparticle forces and can expand or contract via trial size changes governed by the Flory-Rehner free energy of cross-linked polymer gels. We analyze the influence of particle compressibility and size fluctuations on bulk structural and thermal properties by computing swelling ratios, radial distribution functions, static structure factors, osmotic pressures, and freezing densities. With increasing density, microgels progressively deswell and their intrinsic polydispersity broadens, while compressibility acts to forestall crystallization. This work was supported by the National Science Foundation under Grant No. DMR- 1106331.

  17. Structure and stability of solid Xe(H2)n

    International Nuclear Information System (INIS)

    Somayazulu, Maddury; Hemley, Russell J.; Dera, Przemyslaw; Smith, Jesse

    2015-01-01

    Mixtures of xenon and molecular hydrogen form a series of hexagonal, van der Waals compounds at high pressures and at 300 K. Synchrotron, x-ray, single crystal diffraction studies reveal that below 7.5 GPa, Xe(H 2 ) 8 crystallizes in a P3 - m1 structure that displays pressure-induced occupancy changes of two pairs of xenon atoms located on the 2c and 2d sites (while the third pair on yet another 2c site remains fully occupied). The occupancy becomes 1 at the P3 - m1 to R3 transition and all the xenon atoms occupy the 3d sites in the high-pressure structure. These pressure-induced changes in occupancy coincide with volume changes that maintain the average Xe:H 2 stoichiometry fixed at 1:8. The synchrotron x-ray diffraction and Raman measurements show that this unique hydrogen-bearing compound that can be synthesized at 4.2 GPa and 300 K, quenched at low temperatures to atmospheric pressure, and retained up to 90 K on subsequent warming

  18. Monte Carlo analysis of critical phenomenon of the Ising model on memory stabilizer structures

    International Nuclear Information System (INIS)

    Viteri, C. Ricardo; Tomita, Yu; Brown, Kenneth R.

    2009-01-01

    We calculate the critical temperature of the Ising model on a set of graphs representing a concatenated three-bit error-correction code. The graphs are derived from the stabilizer formalism used in quantum error correction. The stabilizer for a subspace is defined as the group of Pauli operators whose eigenvalues are +1 on the subspace. The group can be generated by a subset of operators in the stabilizer, and the choice of generators determines the structure of the graph. The Wolff algorithm, together with the histogram method and finite-size scaling, is used to calculate both the critical temperature and the critical exponents of each structure. The simulations show that the choice of stabilizer generators, both the number and the geometry, has a large effect on the critical temperature.

  19. Functional and structural stability of the epidermal growth factor receptor in detergent micelles and phospholipid nanodiscs

    DEFF Research Database (Denmark)

    Mi, Li-Zhi; Grey, Michael J; Nishida, Noritaka

    2008-01-01

    Cellular signaling mediated by the epidermal growth factor receptor (EGFR or ErbB) family of receptor tyrosine kinases plays an important role in regulating normal and oncogenic cellular physiology. While structures of isolated EGFR extracellular domains and intracellular protein tyrosine kinase...... differential functional stability in Triton X-100 versus dodecyl maltoside. Furthermore, the kinase activity can be significantly stabilized by reconstituting purified EGF-bound EGFR dimers in phospholipid nanodiscs or vesicles, suggesting that the environment around the hydrophobic transmembrane...

  20. Thermodynamic Stability of Structure H Hydrates Based on the Molecular Properties of Large Guest Molecules

    OpenAIRE

    Tezuka, Kyoichi; Taguchi, Tatsuhiko; Alavi, Saman; Sum, Amadeu K.; Ohmura, Ryo

    2012-01-01

    This paper report analyses of thermodynamic stability of structure-H clathrate hydrates formed with methane and large guest molecules in terms of their gas phase molecular sizes and molar masses for the selection of a large guest molecule providing better hydrate stability. We investigated the correlation among the gas phase molecular sizes, the molar masses of large molecule guest substances, and the equilibrium pressures. The results suggest that there exists a molecular-size value for the ...

  1. Structural and Electrochemical Study of Vanadium-Doped TiO2 Ramsdellite with Superior Lithium Storage Properties for Lithium-Ion Batteries.

    Science.gov (United States)

    Pérez-Flores, Juan Carlos; Hoelzel, Markus; García-Alvarado, Flaviano; Kuhn, Alois

    2016-04-04

    Titanium-oxide-based materials are considered attractive and safe alternatives to carbonaceous anodes in Li-ion batteries. In particular, the ramsdellite form TiO2 (R) is known for its superior lithium-storage ability as the bulk material when compared with other titanates. In this work, we prepared V-doped lithium titanate ramsdellites with the formula Li0.5 Ti1-x Vx O2 (0≤x≤0.5) by a conventional solid-state reaction. The lithium-free Ti1-x Vx O2 compounds, in which the ramsdellite framework remains virtually unaltered, are easily obtained by a simple aqueous oxidation/ion-extraction process. Neutron powder diffraction is used to locate the Li channel site in Li0.5 Ti1-x Vx O2 compounds and to follow the lithium extraction by difference-Fourier maps. Previously delithiated Ti1-x Vx O2 ramsdellites are able to insert up to 0.8 Li(+) per transition-metal atom. The initial gravimetric capacities of 270 mAh g(-1) with good cycle stability under constant current discharge conditions are among the highest reported for bulk TiO2 -related intercalation compounds for the threshold of one e(-) per formula unit. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Structural Evolution and Stability of Sol-Gel Biocatalysts

    International Nuclear Information System (INIS)

    Rodgers, L.E.; Foster, L.J.R.; Holden, P.J.; Knott, R.B.; Bartlett, J.B.

    2005-01-01

    Full text: Immobilisation strategies for catalytic enzymes are important as they allow reuse of the biocatalysts. Sol-gel materials have been used to immobilise Candida antarctica lipase B (CALB), a commonly used industrial enzyme with a known crystal structure. The sol-gel bioencapsulate is produced through the condensation of suitable metal alkoxides in the presence of CALB, yielding materials with controlled pore sizes, volume and surface chemistry. Sol-gel matrices have been shown to prolong the catalytic life and enhance the activity of CALB, although the molecular basis for this effect has yet to be elucidated due to the limitations of analysis techniques applied to date. Small angle neutron scattering (SANS) allows such multicomponent systems to be characterised through contrast matching. In the sol-gel bioencapsulate system, at the contrast match point for silica, residual scattering intensity is due to the CALB and density fluctuations in the matrix. A SANS contrast variation series found the match point for the silica matrix, both with and without enzyme present, to be around 35 percent. The model presented here proposes a mechanism for the interaction between CALB and the surrounding sol-gel matrix, and the observed improvement in enzyme activity and matrix strength. The SANS protocol developed here may be applied more generally to bioencapsulates. (authors)

  3. Leaching of concrete : the leaching process : extrapolation of deterioration : effect on the structural stability

    OpenAIRE

    Fagerlund, Göran

    2000-01-01

    The leaching process when water attacks concrete, and the effect of leaching on the strength and durability of a concrete structure, is analysed theoretically. Technique for prediction of the future leaching and structural stability is outlined. The analysis is to a certain extent supported by data from literature. The leaching process is divided in five different types: 1: Pure surface leaching 2: Surface leaching involving erosion 3: Homogeneous leaching over the entire structure 4...

  4. Robust stability analysis of large power systems using the structured singular value theory

    Energy Technology Data Exchange (ETDEWEB)

    Castellanos, R.; Sarmiento, H. [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico); Messina, A.R. [Cinvestav, Graduate Program in Electrical Engineering, Guadalajara, Jalisco (Mexico)

    2005-07-01

    This paper examines the application of structured singular value (SSV) theory to analyse robust stability of complex power systems with respect to a set of structured uncertainties. Based on SSV theory and the frequency sweep method, techniques for robust analysis of large-scale power systems are developed. The main interest is focused on determining robust stability for varying operating conditions and uncertainties in the structure of the power system. The applicability of the proposed techniques is verified through simulation studies on a large-scale power system. In particular, results for the system are considered for a wide range of uncertainties of operating conditions. Specifically, the developed technique is used to estimate the effect of variations in the parameters of a major system inter-tie on the nominal stability of a critical inter-area mode. (Author)

  5. Yttrium-86-labelled human serum albumin microspheres: relation of surface structure with in vivo stability

    International Nuclear Information System (INIS)

    Schiller, Eik; Bergmann, Ralf; Pietzsch, Jens; Noll, Bernhard; Sterger, Antje; Johannsen, Bernd; Wunderlich, Gerd; Pietzsch, Hans-Juergen

    2008-01-01

    Introduction: Radiolabelled particles are an attractive tool in the therapy of malignancies of the liver. We consider particles manufactured from denatured human serum albumin (HSA) as useful carriers of therapeutic radionuclides. Covalent attachment of suitable chelators onto the surface of the spheres promises an easy access to radiolabelled HSA microspheres. Methods: We synthesized 1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid (DOTA) bearing smooth, medium-rough and rough surfaced HSA microspheres (mean diameter: 25 μm). In vitro stability of 86 Y-labelled particles was determined after incubation in human plasma and in a DTPA challenge experiment. In vivo stability of 86 Y DOTA-HSA microspheres was determined after single intravenous application in rats. Subsequently, the particles were completely trapped in the lung microvasculature. Thus, the lung serves in our experiments as target organ. Results: DOTA-HSA microspheres were 86 Y labelled in reproducible high yields (>95%). No differences between smooth and rough surfaced spheres were found for both DOTA coupling and 86 Y labelling. Labelled microspheres showed high in vitro stability in human plasma and in DTPA solution with only 8±1% and 2±0% loss of radioactivity from the surface, respectively, 48 h postinjection (pi). The three batches (smooth, medium-rough and rough surfaced microspheres) differed considerably in their radioactivity recovery in the lungs of rats 48 h pi. Smooth particles showed the highest in vivo stability of the radiolabel on the surface of the spheres, presumably because of slower proteolytic degradation. Conclusion: We found that for the preparation of HSA-derived microspheres for radiotherapeutic application, smooth surfaced spheres are superior to rough spheres due to their higher in vivo stability of the radionuclide fixation

  6. On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.

    Science.gov (United States)

    Poppe, Leszek; Jordan, John B; Rogers, Gary; Schnier, Paul D

    2015-06-02

    An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher order structure (HOS). Nuclear magnetic resonance (NMR) is arguably the most sensitive method for fingerprinting HOS of a protein in solution. Traditionally, (1)H-(15)N or (1)H-(13)C correlation spectra are used as a "structural fingerprint" of HOS. Here, we demonstrate that protein fingerprint by line shape enhancement (PROFILE), a 1D (1)H NMR spectroscopy fingerprinting approach, is superior to traditional two-dimensional methods using monoclonal antibody samples and a heavily glycosylated protein therapeutic (Epoetin Alfa). PROFILE generates a high resolution structural fingerprint of a therapeutic protein in a fraction of the time required for a 2D NMR experiment. The cross-correlation analysis of PROFILE spectra allows one to distinguish contributions from HOS vs protein heterogeneity, which is difficult to accomplish by 2D NMR. We demonstrate that the major analytical limitation of two-dimensional methods is poor selectivity, which renders these approaches problematic for the purpose of fingerprinting large biological macromolecules.

  7. Self-assembly of nano/micro-structured Fe3O4 microspheres among 3D rGO/CNTs hierarchical networks with superior lithium storage performances

    International Nuclear Information System (INIS)

    Liu, Jinlong; Feng, Haibo; Wang, Xipeng; Qian, Dong; Jiang, Jianbo; Li, Junhua; Peng, Sanjun; Deng, Miao; Liu, Youcai

    2014-01-01

    Nano/micro-structured Fe 3 O 4 microspheres among three-dimensional (3D) reduced graphene oxide (rGO)/carbon nanotubes (CNTs) hierarchical networks (the ternary composite is denoted as rGCFs) have been synthesized using a facile, self-assembled and one-pot hydrothermal approach. The rGCFs composite exhibits superior lithium storage performances: initial discharge and charge capacities of 1452 and 1036 mAh g −1 , respectively, remarkable rate capability at current densities from 100 mA g −1 to 10 A g −1 and outstanding cycling performance up to 200 cycles. The highly enhanced electrochemical performances of rGCFs depend heavily on the robust 3D rGO/CNTs hierarchical networks, the stable nano/microstructures of active Fe 3 O 4 microspheres and the positive synergistic effects of building components. The systematic structure characterizations and electrochemical investigations provide insightful understanding towards the relationship between structure/morphology and lithium storage performances, which may pave the way for the rational design of composite materials with desirable goals. (papers)

  8. Colloidal stability of suspended and agglomerate structures of settled carbon nanotubes in different aqueous matrices.

    Science.gov (United States)

    Schwyzer, Irène; Kaegi, Ralf; Sigg, Laura; Nowack, Bernd

    2013-08-01

    Carbon nanotubes (CNTs) are often processed in suspended form and therefore a release of CNT-suspensions into the aquatic environment is plausible. In this study, the behaviour of two physico-chemically very different CNT types in the presence of varying, environmentally relevant calcium-containing media was investigated, including the long-term colloidal stability and the sedimentary structures of settled CNTs. Calcium induced CNT flocculation, however, the stability of the CNTs in the medium did not monotonously decrease with increasing calcium concentration. At intermediate calcium concentrations (0.5-1.5 mM Ca) pre-dispersed CNTs were stabilized in humic acid medium to similar, temporarily even to higher degree than in the absence of calcium. Between pH 5 and 8 only at the highest pH an influence on CNT stability was observed by either promoting flocculation or stabilisation depending on the CNT type. Humic acid stabilized CNTs much better than fulvic acid. Generally, the colloidal stability of the long, thick CNTs with higher surface oxygen content was less affected by the media composition. An investigation of the settled CNT material using analytical electron microscopy revealed the presence of spheroidal, bundle-like and net like CNT-agglomerate structures. Calcium possibly acted as bridging agent linking CNTs in a network like manner, temporarily increasing the CNT concentrations stabilized in the supernatants due to the low density of these structures. With increasing settling time the CNTs formed a fluffy sediment layer at the bottom of the reaction vessels. Bundle-like CNT agglomerates were also observed within that layer of settled CNTs, possibly caused by calcium neutralizing the surface charges. Furthermore, the CNT suspensions contained spheroidal CNT agglomerates, most likely residues from the original dry powder that were not disaggregated. The analysis of settled CNT material is a novelty and illustrates CNT agglomerate structures possibly

  9. Bounds of thermal stability of infinite cylindrical structures with non-uniform internal heat generation

    International Nuclear Information System (INIS)

    Gadalla, M.A.

    1992-01-01

    This paper presents an overview analyses of the thermal instability or thermal viability of infinite cylindrical structures with non-linear and non-uniform internal heat generation. The structure may be subjected to different and combined boundary conditions. An analytical solution is obtained for the generalized problem in spite of the non-linearity and the non-homogeneity of the source term. Four case studies with different boundary conditions are presented. The analyses show that the critical parameter for thermal stability may be though of as an altitude of surface below which the cylindrical structure will be thermally stable and performance worthy. The results also show that the bounds of thermal stability of a cylindrical structure system (solid or hollow) is eminently determined by the boundary conditions to which the system is subjected and can significantly alter the life-span of the structure

  10. The relationship between dental implant stability and trabecular bone structure using cone-beam computed tomography

    Science.gov (United States)

    2016-01-01

    Purpose The objective of this study was to investigate the relationships between primary implant stability as measured by impact response frequency and the structural parameters of trabecular bone using cone-beam computed tomography(CBCT), excluding the effect of cortical bone thickness. Methods We measured the impact response of a dental implant placed into swine bone specimens composed of only trabecular bone without the cortical bone layer using an inductive sensor. The peak frequency of the impact response spectrum was determined as an implant stability criterion (SPF). The 3D microstructural parameters were calculated from CT images of the bone specimens obtained using both micro-CT and CBCT. Results SPF had significant positive correlations with trabecular bone structural parameters (BV/TV, BV, BS, BSD, Tb.Th, Tb.N, FD, and BS/BV) (Pmicro-CT and CBCT (Pimplant stability prediction by combining BV/TV and SMI in the stepwise forward regression analysis. Bone with high volume density and low surface density shows high implant stability. Well-connected thick bone with small marrow spaces also shows high implant stability. The combination of bone density and architectural parameters measured using CBCT can predict the implant stability more accurately than the density alone in clinical diagnoses. PMID:27127692

  11. Pictorial Superiority Effect

    Science.gov (United States)

    Nelson, Douglas L.; And Others

    1976-01-01

    Pictures generally show superior recognition relative to their verbal labels. This experiment was designed to link this pictorial superiority effect to sensory or meaning codes associated with the two types of symbols. (Editor)

  12. Recent Advances in Heliogyro Solar Sail Structural Dynamics, Stability, and Control Research

    Science.gov (United States)

    Wilkie, W. Keats; Warren, Jerry E.; Horta, Lucas G.; Lyle, Karen H.; Juang, Jer-Nan; Gibbs, S. Chad; Dowell, Earl H.; Guerrant, Daniel V.; Lawrence, Dale

    2015-01-01

    Results from recent NASA sponsored research on the structural dynamics, stability, and control characteristics of heliogyro solar sails are summarized. Specific areas under investigation include coupled nonlinear finite element analysis of heliogyro membrane blade with solar radiation pressure effects, system identification of spinning membrane structures, and solarelastic stability analysis of heliogyro solar sails, including stability during blade deployment. Recent results from terrestrial 1-g blade dynamics and control experiments on "rope ladder" membrane blade analogs, and small-scale in vacuo system identification experiments with hanging and spinning high-aspect ratio membranes will also be presented. A low-cost, rideshare payload heliogyro technology demonstration mission concept is used as a mission context for these heliogyro structural dynamics and solarelasticity investigations, and is also described. Blade torsional dynamic response and control are also shown to be significantly improved through the use of edge stiffening structural features or inclusion of modest tip masses to increase centrifugal stiffening of the blade structure. An output-only system identification procedure suitable for on-orbit blade dynamics investigations is also developed and validated using ground tests of spinning sub-scale heliogyro blade models. Overall, analytical and experimental investigations to date indicate no intractable stability or control issues for the heliogyro solar sail concept.

  13. On Robust Stability of Differential-Algebraic Equations with Structured Uncertainty

    Directory of Open Access Journals (Sweden)

    A. Kononov

    2018-03-01

    Full Text Available We consider a linear time-invariant system of differential-algebraic equations (DAE, which can be written as a system of ordinary differential equations with non-invertible coefficients matrices. An important characteristic of DAE is the unsolvability index, which reflects the complexity of the internal structure of the system. The question of the asymptotic stability of DAE containing the uncertainty given by the matrix norm is investigated. We consider a perturbation in the structured uncertainty case. It is assumed that the initial nominal system is asymptotically stable. For the analysis, the original equation is reduced to the structural form, in which the differential and algebraic subsystems are separated. This structural form is equivalent to the input system in the sense of coincidence of sets of solutions, and the operator transforming the DAE into the structural form possesses the inverse operator. The conversion to structural form does not use a change of variables. Regularity of matrix pencil of the source equation is the necessary and sufficient condition of structural form existence. Sufficient conditions have been obtained that perturbations do not break the internal structure of the nominal system. Under these conditions robust stability of the DAE with structured uncertainty is investigated. Estimates for the stability radius of the perturbed DAE system are obtained. The text of the article is from the simpler case, in which the perturbation is present only for an unknown function, to a more complex one, under which the perturbation is also present in the derivative of the unknown function. We used values of the real and the complex stability radii of explicit ordinary differential equations for obtaining the results. We consider the example illustrating the obtained results.

  14. New insights into structural determinants of prion protein folding and stability.

    Science.gov (United States)

    Benetti, Federico; Legname, Giuseppe

    2015-01-01

    Prions are the etiological agent of fatal neurodegenerative diseases called prion diseases or transmissible spongiform encephalopathies. These maladies can be sporadic, genetic or infectious disorders. Prions are due to post-translational modifications of the cellular prion protein leading to the formation of a β-sheet enriched conformer with altered biochemical properties. The molecular events causing prion formation in sporadic prion diseases are still elusive. Recently, we published a research elucidating the contribution of major structural determinants and environmental factors in prion protein folding and stability. Our study highlighted the crucial role of octarepeats in stabilizing prion protein; the presence of a highly enthalpically stable intermediate state in prion-susceptible species; and the role of disulfide bridge in preserving native fold thus avoiding the misfolding to a β-sheet enriched isoform. Taking advantage from these findings, in this work we present new insights into structural determinants of prion protein folding and stability.

  15. Vane coupling rings: a simple technique for stabilizing a four-vane radiofrequency quadrupole structure

    International Nuclear Information System (INIS)

    Howard, D.; Lancaster, H.

    1983-01-01

    The benefits of stabilized accelerating structures, with regard to the manufacture and operation, have been well documented. The four-vane radiofrequency quadrupoles (RFQ) presently being designed and constructed in many laboratories are not stabilized because of the weak electromagnetic coupling between the quadrant resonators. This paper presents a simple technique developed at the Lawrence Berkeley Laboratory using vane coupling rings (VCR's) which azimuthally stabilize the RFQ structure and greatly enhance its use as a practical accelerator. In particular, the VCR's: Completely eliminate the dipole modes in the frequency range of interest; Provide adequate quadrant balance with an initial precision mechanical alignment of the vanes; Enhance axial balance and simplify end tuners. Experimental verification tests on a scale model will be discussed

  16. Vane coupling rings: a simple technique for stabilizing a four-vane radiofrequency quadrupole structure

    International Nuclear Information System (INIS)

    Howard, D.; Lancaster, H.

    1982-11-01

    The benefits of stabilized accelerating structures, with regard to the manufacture and operation, have been well documented. The four-vane radiofrequency quadrupoles (RFQ) presently being designed and constructed in many laboratories are not stabilized because of the weak electromagnetic coupling between the quadrant resonators. This paper presents a simple technique developed at the Lawrence Berkeley Laboratory using vane coupling rings (VCR's) which azimuthally stabilize the RFQ structure and greatly enhance its use as a practical accelerator. In particular, the VCR's: completely eliminate the dipole modes in the frequency range of interest; provide adequate quadrant balance with an initial precision mechanical alignment of the vanes; and enhance axial balance and simplify end tuners. Experimental verification tests on a scale model are discussed

  17. Stabilization of structure in near-infrared fluorescent proteins by binding of biliverdin chromophore

    Science.gov (United States)

    Stepanenko, Olesya V.; Stepanenko, Olga V.; Bublikov, G. S.; Kuznetsova, I. M.; Verkhusha, V. V.; Turoverov, K. K.

    2017-07-01

    Near-infrared fluorescent proteins (NIR FPs) engineered from bacterial phytochromes and their mutants with different location of Cys residues, which able to bind a biliverdin chromophore, or without these Cys residues were studied using intrinsic tryptophan fluorescence, NIR fluorescence and circular dichroism. It was shown that a covalent binding of the biliverdin chromophore to a Cys residue via thioether group substantially stabilizes the spatial structure of NIR FPs. The stability of the protein structure and the chromophore association strength strongly depends on the location of Cys residues and decreases in the following order: a protein with Cys residues in both domains, a protein with Cys in PAS domains, and a protein with Cys in GAF domains. NIR FPs without Cys residues capable to covalently attach biliverdin have the lowest stability, comparable to NIR FP apoforms.

  18. Electronic structure and phase stability during martensitic transformation in Al-doped ZrCu intermetallics

    International Nuclear Information System (INIS)

    Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan

    2010-01-01

    Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.

  19. Oxidative stability of milk drinks containing structured lipids produced from sunflower oil and caprylic acid

    DEFF Research Database (Denmark)

    Timm Heinrich, Maike; Xu, Xuebing; Nielsen, Nina Skall

    2003-01-01

    Milk drinks containing 5% traditional sunflower oil (SO), randomized lipid (RL) or specific structured lipid (SL) (both produced from SO and tricaprylin/caprylic acid) were compared with respect to their particle size, viscosity and oxidative stability during storage. Furthermore, the effect...... drink could not be ascribed was most likely influenced by the structure of the lipid and to a single factor, differences in the process applied to produce and purify the lipids. EDTA was a strong antioxidant, while gallic acid did not exert a distinct antioxidative effect in the milk drink based on SL....... of adding potential antioxidants EDTA or gallic acid to the milk drink based on SL was investigated. The lipid type significantly affected the oxidative stability of the milk drinks: Milk drink based on SL oxidized faster than milk drink based on RL or SO. The reduced oxidative stability in the SL milk...

  20. Assessment of structural stability of a degraded sandy clay loam soil ...

    African Journals Online (AJOL)

    The effects of bare, two legumes and four grasses cover treatments on the structural stability of a sandy clay loam Ultisol were studied within a two year period. The experiment was of a randomised complete block design with seven treatments. The legume treatments were Centrosema pubescens (Ce) and Pueraria ...

  1. Extended X-ray absorption fine structure investigation of nitrogen stabilized expanded austenite

    DEFF Research Database (Denmark)

    Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

    2010-01-01

    As-delivered austenitic stainless steel and nitrogen stabilized expanded austenite, both fully nitrided and denitrided (in H2), were investigated with Cr, Fe and Ni extended X-ray absorption fine structure. The data shows pronounced short-range ordering of Cr and N. For the denitrided specimen...

  2. The influence of boundary conditions on domain structure stability in spin wave approximation

    International Nuclear Information System (INIS)

    Wachinewski, A.

    1974-01-01

    Instead of the usually used Born-Karman cyclic conditions, boundary conditions which take into account the situation of the boundary lattice sites lying on the crystal's surface are assumed. It is shown that the particular choice of the boundary conditions secures the stability of domain structure in ferromagnet (positive spin wave energies), without including the Winter term in Hamiltonian. (author)

  3. Covalent-bond stabilization of the Si(111)-(3 1 -1 1)-Pb structure

    DEFF Research Database (Denmark)

    Kumpf, C.; Nielsen, M.; Feidenhans'l, R.

    2001-01-01

    by codeposition of Pb and Sn. Our surface X-ray diffraction measurements prove that the alloy structure is closely related to the low-temperature reconstruction. The interatomic distances reveal the nature of the chemical bonding in the surface layer and provide insight into the mechanism stabilizing...

  4. Structure and stability of triglyceride monolayers on water and mica surfaces

    NARCIS (Netherlands)

    Zdravkova, A.N.; van der Eerden, J.P.J.M.

    2007-01-01

    The structure and the stability of tripalmitin (PPP), tristearin (SSS), and triarachidin (AAA) monolayers at the air-water interface are investigated with the Langmuir method. The Langmuir-Blodgett (LB) layers obtained by deposition on mica were investigated with atomic force microscopy (AFM). Our

  5. The Use of Polymerized Genipin for the Stabilization of the Collagen Structure of Animal Hides

    Science.gov (United States)

    Animal hides are the major byproduct of meat industry and the collagen fibers is the main constituent. Crosslinkers play a key role in stabilizing the collagen structure for useful applications. Genipin is widely used as an ideal biological protein crosslinking agent due to its low toxicity compare...

  6. A new method for evaluating structural stability of bulk metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Lei; Jia, Haoling [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Xie, Shenghui; Zeng, Xierong [College of Materials Science and Engineering, Shenzhen University and Shenzhen Key Laboratory of Special Functional Materials, ShenZhen 518060 (China); Zhang, Tao [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Ma, Chaoli, E-mail: machaoli@buaa.edu.c [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

    2010-08-15

    This paper proposed a new method for evaluating the structural stability of bulk metallic glasses (BMGs) based on dilatometric measurements. During heating in the dilatometric experiments, the BMGs expanded continuously with increasing temperature. When the temperature reached the glass transition temperature (T{sub g}), viscous shrinkage occurred due to the viscosity of material becoming lower. Since the inhomogeneous nature of the metallic glasses at atomic level, the processes of rigid expansion and the viscous shrinkage co-exist in a certain temperature region. The expansion stopped completely at a temperature (named T{sub p} here) beyond T{sub g}. The values of the temperature region, {Delta}T{sub gp} = T{sub p} - T{sub g}, and the corresponding time interval ({Delta}t{sub gp}) and the activation energy (E{sub p}) corresponding to the expansion processes, are the reflection of the structural stability of BMGs. Investigating the co-existing processes kinetically and thermodynamically, we can make an insight into the structural stability of metallic glasses. Based on this idea, the thermal expansion behaviors of Mg-, Pd-, Zr-, Ti- and Fe-based BMG were studied, and their structural stability was evaluated by the parameters of {Delta}T{sub gp}, {Delta}t{sub gp} and E{sub p}.

  7. Cu2+ Dual-Doped Layer-Tunnel Hybrid Na0.6Mn1- xCu xO2 as a Cathode of Sodium-Ion Battery with Enhanced Structure Stability, Electrochemical Property, and Air Stability.

    Science.gov (United States)

    Chen, Ting-Ru; Sheng, Tian; Wu, Zhen-Guo; Li, Jun-Tao; Wang, En-Hui; Wu, Chun-Jin; Li, Hong-Tai; Guo, Xiao-Dong; Zhong, Ben-He; Huang, Ling; Sun, Shi-Gang

    2018-03-28

    Sodium-ion batteries (SIBs) have been regarded as a promising candidate for large-scale renewable energy storage system. Layered manganese oxide cathode possesses the advantages of high energy density, low cost and natural abundance while suffering from limited cycling life and poor rate capacity. To overcome these weaknesses, layer-tunnel hybrid material was developed and served as the cathode of SIB, which integrated high capacity, superior cycle ability, and rate performance. In the current work, the doping of copper was adopted to suppress the Jahn-Teller effect of Mn 3+ and to affect relevant structural parameters. Multifunctions of the Cu 2+ doping were carefully investigated. It was found that the structure component ratio is varied with the Cu 2+ doping amount. Results demonstrated that Na + /vacancy rearrangement and phase transitions were suppressed during cycling without sacrificing the reversible capacity and enhanced electrochemical performances evidenced with 96 mA h g -1 retained after 250 cycles at 4 C and 85 mA h g -1 at 8 C. Furthermore, ex situ X-ray diffraction has demonstrated high reversibility of the Na 0.6 Mn 0.9 Cu 0.1 O 2 cathode during Na + extraction/insertion processes and superior air stability that results in better storage properties. This study reveals that the Cu 2+ doping could be an effective strategy to tune the properties and related performances of Mn-based layer-tunnel hybrid cathode.

  8. EFFECTS OF INDIVIDUAL CHARACTERISTICS AND ORGANIZATIONAL CONTEXT ON SUPERIORS' USE OF CONFLICT STYLES AND SUBORDINATES' SATISFACTION WITH SUPERVISION

    Directory of Open Access Journals (Sweden)

    Lee Kim Lian

    2008-01-01

    Full Text Available Data from 139 respondents from major industries showed that subordinates were more satisfied with their superiors' supervision through the exercise of integrating, compromising and obliging styles. On the contrary, subordinates who perceived their superiors as primarily using dominating and avoiding styles viewed them as incompetent in supervision and thus lowering their level of satisfaction with supervision. Among the conflict handling styles, integrating was most correlated with organic structure. The organic structure was found to be positively correlated with subordinates' satisfaction. These results implied that organic structure can be a potent force in maintaining organizational stability. The exercise of dominating style was found to be only marginally correlated with superior's age. Superior rank in lower hierarchy level was found to have a negative impact, albeit marginally on the exercise of dominating style. The present results also seemed to suggest that subordinates tend to be less satisfied with superiors with wider span of control.

  9. Straightforward and accurate technique for post-coupler stabilization in drift tube linac structures

    Directory of Open Access Journals (Sweden)

    Mohammad Reza Khalvati

    2016-04-01

    Full Text Available The axial electric field of Alvarez drift tube linacs (DTLs is known to be susceptible to variations due to static and dynamic effects like manufacturing tolerances and beam loading. Post-couplers are used to stabilize the accelerating fields of DTLs against tuning errors. Tilt sensitivity and its slope have been introduced as measures for the stability right from the invention of post-couplers but since then the actual stabilization has mostly been done by tedious iteration. In the present article, the local tilt-sensitivity slope TS_{n}^{′} is established as the principal measure for stabilization instead of tilt sensitivity or some visual slope, and its significance is developed on the basis of an equivalent-circuit diagram of the DTL. Experimental and 3D simulation results are used to analyze its behavior and to define a technique for stabilization that allows finding the best post-coupler settings with just four tilt-sensitivity measurements. CERN’s Linac4 DTL Tank 2 and Tank 3 have been stabilized successfully using this technique. The final tilt-sensitivity error has been reduced from ±100%/MHz down to ±3%/MHz for Tank 2 and down to ±1%/MHz for Tank 3. Finally, an accurate procedure for tuning the structure using slug tuners is discussed.

  10. Straightforward and accurate technique for post-coupler stabilization in drift tube linac structures

    Science.gov (United States)

    Khalvati, Mohammad Reza; Ramberger, Suitbert

    2016-04-01

    The axial electric field of Alvarez drift tube linacs (DTLs) is known to be susceptible to variations due to static and dynamic effects like manufacturing tolerances and beam loading. Post-couplers are used to stabilize the accelerating fields of DTLs against tuning errors. Tilt sensitivity and its slope have been introduced as measures for the stability right from the invention of post-couplers but since then the actual stabilization has mostly been done by tedious iteration. In the present article, the local tilt-sensitivity slope TSn' is established as the principal measure for stabilization instead of tilt sensitivity or some visual slope, and its significance is developed on the basis of an equivalent-circuit diagram of the DTL. Experimental and 3D simulation results are used to analyze its behavior and to define a technique for stabilization that allows finding the best post-coupler settings with just four tilt-sensitivity measurements. CERN's Linac4 DTL Tank 2 and Tank 3 have been stabilized successfully using this technique. The final tilt-sensitivity error has been reduced from ±100 %/MHz down to ±3 %/MHz for Tank 2 and down to ±1 %/MHz for Tank 3. Finally, an accurate procedure for tuning the structure using slug tuners is discussed.

  11. Epothilones as lead structures for the synthesis-based discovery of new chemotypes for microtubule stabilization.

    Science.gov (United States)

    Feyen, Fabian; Cachoux, Frédéric; Gertsch, Jürg; Wartmann, Markus; Altmann, Karl-Heinz

    2008-01-01

    Epothilones are macrocyclic bacterial natural products with potent microtubule-stabilizing and antiproliferative activity. They have served as successful lead structures for the development of several clinical candidates for anticancer therapy. However, the structural diversity of this group of clinical compounds is rather limited, as their structures show little divergence from the original natural product leads. Our own research has explored the question of whether epothilones can serve as a basis for the development of new structural scaffolds, or chemotypes, for microtubule stabilization that might serve as a basis for the discovery of new generations of anticancer drugs. We have elaborated a series of epothilone-derived macrolactones whose overall structural features significantly deviate from those of the natural epothilone scaffold and thus define new structural families of microtubule-stabilizing agents. Key elements of our hypermodification strategy are the change of the natural epoxide geometry from cis to trans, the incorporation of a conformationally constrained side chain, the removal of the C3-hydroxyl group, and the replacement of C12 with nitrogen. So far, this approach has yielded analogs 30 and 40 that are the most advanced, the most rigorously modified, structures, both of which are potent antiproliferative agents with low nanomolar activity against several human cancer cell lines in vitro. The synthesis was achieved through a macrolactone-based strategy or a high-yielding RCM reaction. The 12-aza-epothilone ("azathilone" 40) may be considered a "non-natural" natural product that still retains most of the overall structural characteristics of a true natural product but is structurally unique, because it lies outside of the general scope of Nature's biosynthetic machinery for polyketide synthesis. Like natural epothilones, both 30 and 40 promote tubulin polymerization in vitro and at the cellular level induce cell cycle arrest in mitosis. These

  12. Relative Stabilities of Conserved and Non-Conserved Structures in the OB-Fold Superfamily

    Directory of Open Access Journals (Sweden)

    Andrei T. Alexandrescu

    2009-05-01

    Full Text Available The OB-fold is a diverse structure superfamily based on a β-barrel motif that is often supplemented with additional non-conserved secondary structures. Previous deletion mutagenesis and NMR hydrogen exchange studies of three OB-fold proteins showed that the structural stabilities of sites within the conserved β-barrels were larger than sites in non-conserved segments. In this work we examined a database of 80 representative domain structures currently classified as OB-folds, to establish the basis of this effect. Residue-specific values were obtained for the number of Cα-Cα distance contacts, sequence hydrophobicities, crystallographic B-factors, and theoretical B-factors calculated from a Gaussian Network Model. All four parameters point to a larger average flexibility for the non-conserved structures compared to the conserved β-barrels. The theoretical B-factors and contact densities show the highest sensitivity.Our results suggest a model of protein structure evolution in which novel structural features develop at the periphery of conserved motifs. Core residues are more resistant to structural changes during evolution since their substitution would disrupt a larger number of interactions. Similar factors are likely to account for the differences in stability to unfolding between conserved and non-conserved structures.

  13. Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.

    Science.gov (United States)

    Che, Tao; Majumdar, Susruta; Zaidi, Saheem A; Ondachi, Pauline; McCorvy, John D; Wang, Sheng; Mosier, Philip D; Uprety, Rajendra; Vardy, Eyal; Krumm, Brian E; Han, Gye Won; Lee, Ming-Yue; Pardon, Els; Steyaert, Jan; Huang, Xi-Ping; Strachan, Ryan T; Tribo, Alexandra R; Pasternak, Gavril W; Carroll, F Ivy; Stevens, Raymond C; Cherezov, Vadim; Katritch, Vsevolod; Wacker, Daniel; Roth, Bryan L

    2018-01-11

    The κ-opioid receptor (KOP) mediates the actions of opioids with hallucinogenic, dysphoric, and analgesic activities. The design of KOP analgesics devoid of hallucinatory and dysphoric effects has been hindered by an incomplete structural and mechanistic understanding of KOP agonist actions. Here, we provide a crystal structure of human KOP in complex with the potent epoxymorphinan opioid agonist MP1104 and an active-state-stabilizing nanobody. Comparisons between inactive- and active-state opioid receptor structures reveal substantial conformational changes in the binding pocket and intracellular and extracellular regions. Extensive structural analysis and experimental validation illuminate key residues that propagate larger-scale structural rearrangements and transducer binding that, collectively, elucidate the structural determinants of KOP pharmacology, function, and biased signaling. These molecular insights promise to accelerate the structure-guided design of safer and more effective κ-opioid receptor therapeutics. Copyright © 2017 Elsevier Inc. All rights reserved.

  14. Dynamic Properties of Savinase by Integrative Structural Biology — Indications to Structural Stability

    DEFF Research Database (Denmark)

    Wu, Shanshan

    In recent years, enzymes have become widely used as the additives in laundry products for reducing the energy consumption and satisfying the customer-expected cleaning effect. Boosting the stability of these enzymes has become a crucial task in both industry and laboratory. Subtilisin savinase, a...

  15. Cu–Ni core–shell nanoparticles: structure, stability, electronic, and magnetic properties: a spin-polarized density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qiang, E-mail: wangqiang@njtech.edu.cn; Wang, Xinyan; Liu, Jianlan; Yang, Yanhui [Nanjing Tech University, School of Chemistry and Molecular Engineering, Institute of Advanced Synthesis (IAS) (China)

    2017-02-15

    Bimetallic core–shell nanoparticles (CSNPs) have attracted great interest not only because of their superior stability, selectivity, and catalytic activity but also due to their tunable properties achieved by changing the morphology, sequence, and sizes of both core and shell. In this study, the structure, stability, charge transfer, electronic, and magnetic properties of 13-atom and 55-atom Cu and Cu–Ni CSNPs were investigated using the density functional theory (DFT) calculations. The results show that Ni@Cu CSNPs with a Cu surface shell are more energetically favorable than Cu@Ni CSNPs with a Ni surface shell. Interestingly, three-shell Ni@Cu{sub 12}@Ni{sub 42} is more stable than two-shell Cu{sub 13}@Ni{sub 42}, while two-shell Ni{sub 13}@Cu{sub 42} is more stable than three-shell Cu@Ni{sub 12}@Cu{sub 42}. Analysis of Bader charge illustrates that the charge transfer increases from Cu core to Ni shell in Cu@Ni NPs, while it decreases from Ni core to Cu shell in Ni@Cu NPs. Furthermore, the charge transfer results that d-band states have larger shift toward the Fermi level for the Ni@Cu CSNPs with Cu surface shell, while the Cu@Ni CSNPs with Ni surface shell have similar d-band state curves and d-band centers with the monometallic Ni NPs. In addition, the Cu–Ni CSNPs possess higher magnetic moment when the Ni atoms aggregated at core region of CSNPs, while having lower magnetic moment when the Ni atoms segregate on surface region. The change of the Cu atom location in CSNPs has a weak effect on the total magnetic moment. Our findings provide useful insights for the design of bimetallic core–shell catalysts.

  16. Axial ratio dependence of the stability of self-interstitials in HCP structures

    International Nuclear Information System (INIS)

    Peng, Qing; Ji, Wei; Huang, Hanchen; De, Suvranu

    2013-01-01

    We investigate the effect of the axial ratio (c/a) on the stability of self-interstitial atoms (SIAs) in hexagonal close-packed crystal structures, using hcp-zirconium as a prototype, through density functional theory based ab initio calculations. The axial ratio is found to dominate the relative stability of SIAs over volumetric strains. We observe that below the ideal value of 1.633, the basal octahedral configuration is the most stable. Above the ideal value, the off-plane SIAs are more stable than in-plane ones

  17. Structure and stability of accretion-disk around a black-hole

    Energy Technology Data Exchange (ETDEWEB)

    Shibazaki, N; Hoshi, R [Rikkyo Univ., Tokyo (Japan). Dept. of Physics

    1975-09-01

    Structure and stability of a stationary thin-disk formed around a black-hole are studied using the conventional formula for the viscous stress. The disk is classified into an optically thick case, an optically thin case and an intermediate case in which the comptonization plays an important role. Thermal and secular stabilities are examined in each of the above three cases. High temperatures in excess of 10sup(9 0)K are expected in the optically thin case and in the comptonization dominant case. However, it is shown that in these cases the disk is unstable for the thermal perturbation.

  18. Structure, elastic properties and phase stability of Cr1-xAlxN

    International Nuclear Information System (INIS)

    Mayrhofer, P.H.; Music, D.; Reeswinkel, Th.; Fuss, H.-G.; Schneider, J.M.

    2008-01-01

    The effect of composition and metal sublattice population on the phase stability, structure and elastic properties of cubic (c), hexagonal (h) and orthorhombic spin-polarized Cr 1-x Al x N was studied using ab initio calculations. Excellent correlation between ab initio and experimentally obtained lattice parameters and elastic constants was obtained. The energy of formation suggests that the cubic phase can be stabilized for x in the range 0.48-0.75, depending on the metal sublattice population. The broad range of x, which is also observed in experiments, can be understood by considering the Al distribution induced changes in the configurational contribution to the total energy

  19. Two-phase flow stability structure in a natural circulation system

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Zhiwei [Nuclear Engineering Laboratory Zurich (Switzerland)

    1995-09-01

    The present study reports a numerical analysis of two-phase flow stability structures in a natural circulation system with two parallel, heated channels. The numerical model is derived, based on the Galerkin moving nodal method. This analysis is related to some design options applicable to integral heating reactors with a slightly-boiling operation mode, and is also of general interest to similar facilities. The options include: (1) Symmetric heating and throttling; (2) Asymmetric heating and symmetric throttling; (3) Asymmetric heating and throttling. The oscillation modes for these variants are discussed. Comparisons with the data from the INET two-phase flow stability experiment have qualitatively validated the present analysis.

  20. Amorphous Red Phosphorus Embedded in Sandwiched Porous Carbon Enabling Superior Sodium Storage Performances.

    Science.gov (United States)

    Wu, Ying; Liu, Zheng; Zhong, Xiongwu; Cheng, Xiaolong; Fan, Zhuangjun; Yu, Yan

    2018-03-01

    The red P anode for sodium ion batteries has attracted great attention recently due to the high theoretical capacity, but the poor intrinsic electronic conductivity and large volume expansion restrain its widespread applications. Herein, the red P is successfully encapsulated into the cube shaped sandwich-like interconnected porous carbon building (denoted as P@C-GO/MOF-5) via the vaporization-condensation method. Superior cycling stability (high capacity retention of about 93% at 2 A g -1 after 100 cycles) and excellent rate performance (502 mAh g -1 at 10 A g -1 ) can be obtained for the P@C-GO/MOF-5 electrode. The superior electrochemical performance can be ascribed to the successful incorporation of red P into the unique carbon matrix with large surface area and pore volume, interconnected porous structure, excellent electronic conductivity and superior structural stability. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Understanding structure-stability relationships of Candida antartica lipase B in ionic liquids.

    Science.gov (United States)

    De Diego, Teresa; Lozano, Pedro; Gmouh, Said; Vaultier, Michel; Iborra, José L

    2005-01-01

    Two different water-immiscible ionic liquids (ILs), 1-ethyl-3-methylimidizolium bis(trifluoromethylsulfonyl)imide and butyltrimethylammonium bis(trifluoromethylsulfonyl)imide, were used for butyl butyrate synthesis from vinyl butyrate catalyzed by Candida antarctica lipase B (CALB) at 2% (v/v) water content and 50 degrees C. Both the synthetic activity and stability of the enzyme in these ILs were enhanced as compared to those in hexane. Circular dichroism and intrinsic fluorescence spectroscopic techniques have been used over a period of 4 days to determine structural changes in the enzyme associated with differences in its stability for each assayed medium. CALB showed a loss in residual activity higher than 75% after 4 days of incubation in both water and hexane media at 50 degrees C, being related to great changes in both alpha-helix and beta-strand secondary structures. The stabilization of CALB, which was observed in the two ILs studied, was associated with both the maintenance of the 50% of initial alpha-helix content and the enhancement of beta-strands. Furthermore, intrinsic fluorescence studies clearly showed how a classical enzyme unfolding was occurring with time in both water and hexane media. However, the structural changes associated with the incubation of the enzyme in both ILs might be attributed to a compact and active enzyme conformation, resulting in an enhancement of the stability in these nonaqueous environments.

  2. The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons

    Science.gov (United States)

    Yang, Huihui; Chen, Hongshan

    2017-07-01

    The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspond to the magic numbers and will show specific stabilities. We explore in detail the geometric structures, stabilities and electronic structures of Al-Mg clusters containing 18 and 20 valence electrons by using genetic algorithm combined with density functional theories. The stabilities of the clusters are governed by the electronic configurations and Mg/Al ratios. The clusters with lower Mg/Al ratios are more stable. The molecular orbitals accord with the shell structures predicted by the jellium model but the 2S level interweaves with the 1D levels and the 2S and 1D orbitals form a subgroup. The clusters having 20 valence electrons form closed 1S21P61D102S2 shells and show enhanced stability. The Al-Mg clusters with a valence electron count of 18 do not form closed shells because one 1D orbital is unoccupied. The ionization potential and electron affinity are closely related to the electronic configurations; their values are determined by the subgroups the HOMO or LUMO belong to. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80042-9

  3. Structure-activity relationships between sterols and their thermal stability in oil matrix.

    Science.gov (United States)

    Hu, Yinzhou; Xu, Junli; Huang, Weisu; Zhao, Yajing; Li, Maiquan; Wang, Mengmeng; Zheng, Lufei; Lu, Baiyi

    2018-08-30

    Structure-activity relationships between 20 sterols and their thermal stabilities were studied in a model oil system. All sterol degradations were found to be consistent with a first-order kinetic model with determination of coefficient (R 2 ) higher than 0.9444. The number of double bonds in the sterol structure was negatively correlated with the thermal stability of sterol, whereas the length of the branch chain was positively correlated with the thermal stability of sterol. A quantitative structure-activity relationship (QSAR) model to predict thermal stability of sterol was developed by using partial least squares regression (PLSR) combined with genetic algorithm (GA). A regression model was built with R 2 of 0.806. Almost all sterol degradation constants can be predicted accurately with R 2 of cross-validation equals to 0.680. Four important variables were selected in optimal QSAR model and the selected variables were observed to be related with information indices, RDF descriptors, and 3D-MoRSE descriptors. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Design criteria development for the structural stability of nuclear waste repository

    Energy Technology Data Exchange (ETDEWEB)

    Yun, C H [Korea Institute of Nuclear Safety, Taejon (Korea, Republic of); Yu, T S [Daewoo Engineering Company, Sungnam (Korea, Republic of); Ko, H M [Seoul National Univ., Seoul (Korea, Republic of)

    1990-11-15

    The objective of the present project is to develop design criteria for the structural stability of rock cavity for the underground repository are defined, according to which detailed descriptions for design methodologies, design stages and stability analysis of the cavity are made. The proposed criteria can be used as a guide for the preparation of design codes which are to be established as the site condition and technical emplacement procedure are fixed. The present report first reviews basic safety requirements and criteria of the underground disposal of nuclear wastes for the establishment of design concepts and stability analysis of the rock cavity. Important factors for the design are also described by considering characteristics of the wastes and underground facilities. The present project has investigated technical aspects on the design of underground structures based on the currently established underground construction technologies, and presented a proposal for design criteria for the structural stability of the nuclear waste repository. The proposed criteria consist of general provisions, geological exploration, rock classification, design process and methods, supporting system, analyses and instrumentation.

  5. Structural homeostasis in the nervous system: A balancing act for wiring plasticity and stability

    Directory of Open Access Journals (Sweden)

    Jun eYin

    2015-01-01

    Full Text Available Experience-dependent modifications of neural circuits provide the cellular basis for functional adaptation and learning, while presenting significant challenges to the stability of neural networks. The nervous system copes with these perturbations through a variety of compensatory mechanisms with distinct spatial and temporal profiles. Mounting evidence suggests that structural plasticity, through modifications of the number and structure of synapses, or changes in local and long-range connectivity, might contribute to the stabilization of network activity and serve as an important component of the homeostatic regulation of the nervous system. Conceptually similar to the homeostatic regulation of synaptic strength and efficacy, homeostatic structural plasticity has a profound and lasting impact on the intrinsic excitability of the neuron and circuit properties, yet remains largely unexplored. In this review, we examine recent reports describing structural modifications associated with functional compensation in both developing and adult nervous systems, and discuss the potential role for structural homeostasis in maintaining network stability and its implications in physiological and pathological conditions of the nervous systems.

  6. The role of a topologically conserved isoleucine in glutathione transferase structure, stability and function

    International Nuclear Information System (INIS)

    Achilonu, Ikechukwu; Gildenhuys, Samantha; Fisher, Loren; Burke, Jonathan; Fanucchi, Sylvia; Sewell, B. Trevor; Fernandes, Manuel; Dirr, Heini W.

    2010-01-01

    The role of a topologically conserved isoleucine in the structure of glutathione transferase was investigated by replacing the Ile71 residue in human GSTA1-1 by alanine or valine. The common fold shared by members of the glutathione-transferase (GST) family has a topologically conserved isoleucine residue at the N-terminus of helix 3 which is involved in the packing of helix 3 against two β-strands in domain 1. The role of the isoleucine residue in the structure, function and stability of GST was investigated by replacing the Ile71 residue in human GSTA1-1 by alanine or valine. The X-ray structures of the I71A and I71V mutants resolved at 1.75 and 2.51 Å, respectively, revealed that the mutations do not alter the overall structure of the protein compared with the wild type. Urea-induced equilibrium unfolding studies using circular dichroism and tryptophan fluorescence suggest that the mutation of Ile71 to alanine or valine reduces the stability of the protein. A functional assay with 1-chloro-2,4-dinitrobenzene shows that the mutation does not significantly alter the function of the protein relative to the wild type. Overall, the results suggest that conservation of the topologically conserved Ile71 maintains the structural stability of the protein but does not play a significant role in catalysis and substrate binding

  7. High order quaternary arrangement confers increased structural stability to Brucella Spp. lumazine synthase

    Energy Technology Data Exchange (ETDEWEB)

    Zylberman, V.; Craig, P.O.; Klinke, S.; Cauerhff, A.; Goldbaum, F.A. [Instituto Leloir, Buenos Aires (Argentina); Braden, B.C. [Bowie State Univ., Maryland (United States)

    2004-07-01

    The penultimate step in the pathway of riboflavin biosynthesis is catalyzed by the enzyme lumazine synthase (LS). One of the most distinctive characteristics of this enzyme is the structural quaternary divergence found in different species. The protein exists as pentameric and icosahedral forms, built from practically the same structural monomeric unit. The pentameric structure is formed by five 18 kDa monomers, each extensively contacting neighboring monomers. The icosahedral structure consists of 60 LS monomers arranged as twelve pentamers giving rise to a capsid exhibiting icosahedral 532 symmetry. In all lumazine synthases studied, the topologically equivalent active sites are located at the interfaces between adjacent subunits in the pentameric modules. The Brucella spp. lumazine synthase (BLS) sequence clearly diverges from pentameric and icosahedral enzymes. This unusual divergence prompted to further investigate on its quaternary arrangement. In the present work, we demonstrate by means of solution Light Scattering and X-ray structural analyses that BLS assembles as a very stable dimer of pentamers representing a third category of quaternary assembly for lumazine synthases. We also describe by spectroscopic studies the thermodynamic stability of this oligomeric protein, and postulate a mechanism for dissociation/unfolding of this macromolecular assembly. The higher molecular order of BLS increases its stability 20 deg C compared to pentameric lumazine synthases. The decameric arrangement described in this work highlights the importance of quaternary interactions in the stabilization of proteins. (author)

  8. High order quaternary arrangement confers increased structural stability to Brucella Spp. lumazine synthase

    International Nuclear Information System (INIS)

    Zylberman, V.; Craig, P.O.; Klinke, S.; Cauerhff, A.; Goldbaum, F.A.; Braden, B.C.

    2004-01-01

    The penultimate step in the pathway of riboflavin biosynthesis is catalyzed by the enzyme lumazine synthase (LS). One of the most distinctive characteristics of this enzyme is the structural quaternary divergence found in different species. The protein exists as pentameric and icosahedral forms, built from practically the same structural monomeric unit. The pentameric structure is formed by five 18 kDa monomers, each extensively contacting neighboring monomers. The icosahedral structure consists of 60 LS monomers arranged as twelve pentamers giving rise to a capsid exhibiting icosahedral 532 symmetry. In all lumazine synthases studied, the topologically equivalent active sites are located at the interfaces between adjacent subunits in the pentameric modules. The Brucella spp. lumazine synthase (BLS) sequence clearly diverges from pentameric and icosahedral enzymes. This unusual divergence prompted to further investigate on its quaternary arrangement. In the present work, we demonstrate by means of solution Light Scattering and X-ray structural analyses that BLS assembles as a very stable dimer of pentamers representing a third category of quaternary assembly for lumazine synthases. We also describe by spectroscopic studies the thermodynamic stability of this oligomeric protein, and postulate a mechanism for dissociation/unfolding of this macromolecular assembly. The higher molecular order of BLS increases its stability 20 deg C compared to pentameric lumazine synthases. The decameric arrangement described in this work highlights the importance of quaternary interactions in the stabilization of proteins. (author)

  9. The study of the structural stability of the spiral laser beams propagation through inhomogeneous phase medium

    Science.gov (United States)

    Zinchik, Alexander A.; Muzychenko, Yana B.

    2015-06-01

    This paper discusses theoretical and experimental results of the investigation of light beams that retain their intensity structure during propagation and focusing. Spiral laser beams are a family of laser beams that preserve the structural stability up to scale and rotation with the propagation. Properties of spiral beams are of practical interest for laser technology, medicine and biotechnology. Researchers use a spiral beams for movement and manipulation of microparticles. Functionality laser manipulators can be significantly enhanced by using spiral beams whose intensity remains invariable. It is well known, that these beams has non-zero orbital angular momentum. Spiral beams have a complicated phase distribution in cross section. In this paper we investigate the structural stability of the laser beams having a spiral phase structure by passing them through an inhomogeneous phase medium. Laser beam is passed through a medium is characterized by a random distribution of phase in the range 0..2π. The modeling was performed using VirtualLab 5.0 (manufacturer LightTrans GmbH). Compared the intensity distribution of the spiral and ordinary laser beam after the passage of the inhomogeneous medium. It is shown that the spiral beams exhibit a significantly better structural stability during the passage phase heterogeneous environments than conventional laser beams. The results obtained in the simulation are tested experimentally. Experimental results show good agreement with the theoretical results.

  10. Structural Design Optimization of a Tiltrotor Aircraft Composite Wing to Enhance Whirl Flutter Stability

    DEFF Research Database (Denmark)

    Kim, Taeseong; Kim, Jaehoon; Shin, Sang Joon

    2013-01-01

    In order to enhance the aeroelastic stability of a tiltrotor aircraft, a structural optimization framework is developed by applying a multi-level optimization approach. Each optimization level is designed to achieve a different purpose; therefore, relevant optimization schemes are selected for each...... level. Enhancement of the aeroelastic stability is selected as an objective in the upper-level optimization. This is achieved by seeking the optimal structural properties of a composite wing, including its mass, vertical, chordwise, and torsional stiffness. In the upper-level optimization, the response...... surface method (RSM), is selected. On the other hand, lower-level optimization seeks to determine the local detailed cross-sectional parameters, such as the ply orientation angles and ply thickness, which are relevant to the wing structural properties obtained at the upper-level. To avoid manufacturing...

  11. The effect of structured triglycerides on the kinetic stability of total nutrient admixtures.

    Science.gov (United States)

    Balogh, Judit; Bubenik, Júlia; Dredán, Judit; Csempesz, Ferenc; Kiss, Dorottya; Zelkó, Romána

    2005-10-05

    The physical stability of two types of total parenteral nutrient (TPN) admixtures was studied as a function of storage time and temperature. One of them contained only structured triglycerides and the other exclusively long-chain triglycerides as lipid components. Droplet size of the mixtures was followed by photon correlation spectroscopy for 10 days. Zeta potential and dynamic surface tension measurements were carried out to evaluate the possible changes in the charge and interfacial surface tension of the emulsion droplets during the storage. pH values were monitored in order to follow the possible decomposition processes in the course of storage. Droplet size of emulsions prepared with lipids containing exclusively long-chain triglycerides showed remarkable increase after 4 days of storage in contrast with that of the mixtures containing structured lipids. The obtained results indicate that besides the advantageous metabolic effects of structured triglycerides, their application is recommended to improve the physical stability of TPN admixtures.

  12. Evaluation of the influence of fluoroquinolone chemical structure on stability: forced degradation and in silico studies

    Directory of Open Access Journals (Sweden)

    André Valle de Bairros

    2018-05-01

    Full Text Available ABSTRACT Fluoroquinolones are a known antibacterial class commonly used around the world. These compounds present relative stability and they may show some adverse effects according their distinct chemical structures. The chemical hydrolysis of five fluoroquinolones was studied using alkaline and photolytic degradation aiming to observe the differences in molecular reactivity. DFT/B3LYP-6.31G* was used to assist with understanding the chemical structure degradation. Gemifloxacin underwent degradation in alkaline medium. Gemifloxacin and danofloxacin showed more degradation perceptual indices in comparison with ciprofloxacin, enrofloxacin and norfloxacin in photolytic conditions. Some structural features were observed which may influence degradation, such as the presence of five member rings attached to the quinolone ring and the electrostatic positive charges, showed in maps of potential electrostatic charges. These measurements may be used in the design of effective and more stable fluoroquinolones as well as the investigation of degradation products from stress stability assays.

  13. Construction of SnO2-Graphene Composite with Half-Supported Cluster Structure as Anode toward Superior Lithium Storage Properties.

    Science.gov (United States)

    Zhu, Chengling; Chen, Zhixin; Zhu, Shenmin; Li, Yao; Pan, Hui; Meng, Xin; Imtiaz, Muhammad; Zhang, Di

    2017-06-12

    Inspired by nature, herein we designed a novel construction of SnO 2 anodes with an extremely high lithium storage performance. By utilizing small sheets of graphene oxide, the partitioned-pomegranate-like structure was constructed (SnO 2 @C@half-rGO), in which the porous clusters of SnO 2 nanoparticles are partially supported by reduced graphene oxide sheets while the rest part is exposed (half-supported), like partitioned pomegranates. When served as anode for lithium-ion batteries, SnO 2 @C@half-rGO exhibited considerably high specific capacity (1034.5 mAh g -1 after 200 cycles at 100 mA g -1 ), superior rate performance and remarkable durability (370.3 mAh g -1 after 10000 cycles at 5 A g -1 ). When coupled with graphitized porous carbon cathode for lithium-ion hybrid capacitors, the fabricated devices delivered a high energy density of 257 Wh kg -1 at ∼200 W kg -1 and maintained 79 Wh kg -1 at a super-high power density of ∼20 kW kg -1 within a wide voltage window up to 4 V. This facile and scalable approach demonstrates a new architecture for graphene-based composite for practical use in energy storage with high performance.

  14. Encapsulating Silica/Antimony into Porous Electrospun Carbon Nanofibers with Robust Structure Stability for High-Efficiency Lithium Storage.

    Science.gov (United States)

    Wang, Hongkang; Yang, Xuming; Wu, Qizhen; Zhang, Qiaobao; Chen, Huixin; Jing, Hongmei; Wang, Jinkai; Mi, Shao-Bo; Rogach, Andrey L; Niu, Chunming

    2018-04-24

    To address the volume-change-induced pulverization problems of electrode materials, we propose a "silica reinforcement" concept, following which silica-reinforced carbon nanofibers with encapsulated Sb nanoparticles (denoted as SiO 2 /Sb@CNFs) are fabricated via an electrospinning method. In this composite structure, insulating silica fillers not only reinforce the overall structure but also contribute to additional lithium storage capacity; encapsulation of Sb nanoparticles into the carbon-silica matrices efficiently buffers the volume changes during Li-Sb alloying-dealloying processes upon cycling and alleviates the mechanical stress; the porous carbon nanofiber framework allows for fast charge transfer and electrolyte diffusion. These advantageous characteristics synergistically contribute to the superior lithium storage performance of SiO 2 /Sb@CNF electrodes, which demonstrate excellent cycling stability and rate capability, delivering reversible discharge capacities of 700 mA h/g at 200 mA/g, 572 mA h/g at 500 mA/g, and 468 mA h/g at 1000 mA/g each after 400 cycles. Ex situ as well as in situ TEM measurements confirm that the structural integrity of silica-reinforced Sb@CNF electrodes can efficiently withstand the mechanical stress induced by the volume changes. Notably, the SiO 2 /Sb@CNF//LiCoO 2 full cell delivers high reversible capacities of ∼400 mA h/g after 800 cycles at 500 mA/g and ∼336 mA h/g after 500 cycles at 1000 mA/g.

  15. The effect of exchange-correlation on change and stability of crystal structure

    International Nuclear Information System (INIS)

    Yazdani, A.; Niazi, M.; Alimardan, V.

    2007-01-01

    Since exchange interaction energy has effect on band structure via polarization of spin of free electron, then can directly effects formation crystal structure. Therefore exchange-correlation is able to have an effect on determination of crystal structure or its change and stability. This energy is subject to fluctuation range of electrons between conduction band and valance band or density of electrons which due to increase the entropy of system, via Gibss Energy .We investigated these factors: 1) Size of ions 2) Density of States 3) Range of inter atomic and pair-potential.

  16. A study on aseismic performance estimation of a nuclear facility from a viewpoint of structural stability

    International Nuclear Information System (INIS)

    En, Koshiro; Imazuka, Yoshikatsu; Okutani, Tetsuya; Akita, Shodo; Kawasato, Takeshi

    2004-01-01

    In estimating aseismic performance of a nuclear facility, structural stability is quantified in terms of ''contact ratio'' of a base considering dynamic soil-structure interaction. However, the maximum response in the time-domain non-linear analysis may strongly depend on the phase characteristics of input motions. The stochastic properties of the overturning moment and ''contact ratio'' are investigated through Monte Carlo simulation using 100 artificial seismic waves synthesized for the multi-damping design response spectra. The fragility curve is also proposed based on random vibration theory and its dependence on both geometric proportion of the structure and the amplitude of input motions is illustrated. (author)

  17. Analysis on complex structure stability under different bar angle with BIM technology

    Directory of Open Access Journals (Sweden)

    Wang Xiongjue

    2016-03-01

    Full Text Available Sun Valley, the landmark building of World Expo in Shanghai, which has free surface with single-layer reticulated shell structure, is a typical complex structure. CAD/CAM integrated information system to design is used for the complex structure; however, it is a very rigorous process to be used widely. The relevant technology of the Sun Valley is not open to the public at present, so we try to use BIM technology to model the Sun Valley, including architecture modelling and structure analysis. By analysis of the Sun Valley structure using this method, it is proved that the problems in modelling may be solved by writing some script codes in Rhino software and the stability of the model can also be analyzed. The new approach is viable and effective in combination with different softwares such as Rhino, Revit, and Midas in solution of the complex shaped surfaces’ structure for modelling and calculation.

  18. Studies on electronic structure of interfaces between Ag and gelatin for stabilization of Ag nanoparticles

    International Nuclear Information System (INIS)

    Tani, Tadaaki; Uchida, Takayuki

    2015-01-01

    Extremely high stability of Ag nanoparticles in photographic materials has forced us to study the electronic structures of the interfaces between thin layers of Ag, Au, and Pt and their surface membranes in ambient atmosphere by photoelectron yield spectroscopy in air and Kelvin probe method. Owing to the Fermi level equalization between a metal layer and a membrane coming from air, the electron transfer took place from the membrane to Pt and Au layers and from an Ag layer to the membrane, giving the reason for poor stability of Ag nanoparticles in air. The control of the Fermi level of an Ag layer with respect to that of a gelatin membrane in air could be widely made according to Nernst's equation by changing the pH and pAg values of an aqueous gelatin solution used to form the membrane, and thus available to stabilize Ag nanoparticles in a gelatin matrix. (author)

  19. Magnet Cycles and Stability Periods of the CMS Structures from 2008 to 2013 as Observed by the Link Alignment System

    International Nuclear Information System (INIS)

    Arce, P.; Barcala, J.M.; Calvo, E.; Ferrando, A.; Josa, M.I.; Molinero, A.; Navarrete, J.; Oller, J.C.

    2015-01-01

    In this document Magnet Cycles and Stability Periods of the CMS Experiment are studied with the recorded Alignment Link System data along the 2008 to 2013 years of operation. The motions of the mechanical structures due to the magnetic field forces are studied including an in-depth analysis of the relative distance between the endcap structures and the central Tracker body during the Stability Periods to verify the mechanical stability of the detector during the physics data taking.

  20. Structural Stability of Light-harvesting Protein LH2 Adsorbed on Mesoporous Silica Supports.

    Science.gov (United States)

    Shibuya, Yuuta; Itoh, Tetsuji; Matsuura, Shun-ichi; Yamaguchi, Akira

    2015-01-01

    In the present study, we examined the reversible thermal deformation of the membrane protein light-harvesting complex LH2 adsorbed on mesoporous silica (MPS) supports. The LH2 complex from Thermochromatium tepidum cells was conjugated to MPS supports with a series of pore diameter (2.4 to 10.6 nm), and absorption spectra of the resulting LH2/MPS conjugates were observed over a temperature range of 273 - 313 K in order to examine the structure of the LH2 adsorbed on the MPS support. The experimental results confirmed that a slight ellipsoidal deformation of LH2 was induced by adsorption on the MPS supports. On the other hand, the structural stability of LH2 was not perturbed by the adsorption. Since the pore diameter of MPS support did not influence the structural stability of LH2, it could be considered that the spatial confinement of LH2 in size-matches pore did not improve the structural stability of LH2.

  1. Network structure and thermal stability study of high temperature seal glass

    Science.gov (United States)

    Lu, K.; Mahapatra, M. K.

    2008-10-01

    High temperature seal glass has stringent requirement on glass thermal stability, which is dictated by glass network structures. In this study, a SrO-La2O3-Al2O3-B2O3-SiO2 based glass system was studied using nuclear magnetic resonance, Raman spectroscopy, and x-ray diffraction for solid oxide cell application purpose. Glass structural unit neighboring environment and local ordering were evaluated. Glass network connectivity as well as silicon and boron glass former coordination were calculated for different B2O3:SiO2 ratios. Thermal stability of the borosilicate glasses was studied after thermal treatment at 850 °C. The study shows that high B2O3 content induces BO4 and SiO4 structural unit ordering, increases glass localized inhomogeneity, decreases glass network connectivity, and causes devitrification. Glass modifiers interact with either silicon- or boron-containing structural units and form different devitrified phases at different B2O3:SiO2 ratios. B2O3-free glass shows the best thermal stability among the studied compositions, remaining stable after thermal treatment for 200 h at 850 °C.

  2. Polyhedral Lyapunov functions structurally ensure global asymptotic stability of dynamical networks iff the Jacobian is non-singular

    NARCIS (Netherlands)

    Blanchini, Franco; Giordano, G.

    2017-01-01

    For a vast class of dynamical networks, including chemical reaction networks (CRNs) with monotonic reaction rates, the existence of a polyhedral Lyapunov function (PLF) implies structural (i.e., parameter-free) local stability. Global structural stability is ensured under the additional

  3. Enzyme stability, thermodynamics and secondary structures of α-amylase as probed by the CD spectroscopy.

    Science.gov (United States)

    Kikani, B A; Singh, S P

    2015-11-01

    An amylase of a thermophilic bacterium, Bacillus sp. TSSC-3 (GenBank Number, EU710557) isolated from the Tulsi Shyam hot spring reservoir (Gujarat, India) was purified to the homogeneity in a single step on phenyl sepharose 6FF. The molecular weight of the enzyme was 25kD, while the temperature and pH optima for the enzyme catalysis were 80°C and 7, respectively. The purified enzyme was highly thermostable with broad pH stability and displayed remarkable resistance against surfactants, chelators, urea, guanidine HCl and various solvents as well. The stability and changes in the secondary structure of the enzyme under various extreme conditions were determined by the circular dichroism (CD) spectroscopy. The stability trends and the changes in the α-helices and β-sheets were analyzed by Mean Residual Ellipticity (MRE) and K2D3. The CD data confirmed the structural stability of the enzyme under various harsh conditions, yet it indicated reduced α-helix content and increased β-sheets upon denaturation. The thermodynamic parameters; deactivation rate constant, half-life, changes in entropy, enthalpy, activation energy and Gibb's free energy indicated that the enzyme-substrate reactions were highly stable. The overall profile of the enzyme: high thermostability, alkalitolerance, calcium independent nature, dextrose equivalent values and resistance against chemical denaturants, solvents and surfactants suggest its commercial applications. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Physical modeling of river spanning rock structures: Evaluating interstitial flow, local hydraulics, downstream scour development, and structure stability

    Science.gov (United States)

    Collins, K.L.; Thornton, C.I.; Mefford, B.; Holmquist-Johnson, C. L.

    2009-01-01

    Rock weir and ramp structures uniquely serve a necessary role in river management: to meet water deliveries in an ecologically sound manner. Uses include functioning as low head diversion dams, permitting fish passage, creating habitat diversity, and stabilizing stream banks and profiles. Existing information on design and performance of in-stream rock structures does not provide the guidance necessary to implement repeatable and sustainable construction and retrofit techniques. As widespread use of rock structures increases, the need for reliable design methods with a broad range of applicability at individual sites grows as well. Rigorous laboratory testing programs were implemented at the U.S. Bureau of Reclamation (Reclamation) and at Colorado State University (CSU) as part of a multifaceted research project focused on expanding the current knowledge base and developing design methods to improve the success rate of river spanning rock structures in meeting project goals. Physical modeling at Reclamation is being used to measure, predict, and reduce interstitial flow through rock ramps. CSU is using physical testing to quantify and predict scour development downstream of rock weirs and its impact on the stability of rock structures. ?? 2009 ASCE.

  5. Computational analysis of histidine mutations on the structural stability of human tyrosinases leading to albinism insurgence.

    Science.gov (United States)

    Hassan, Mubashir; Abbas, Qamar; Raza, Hussain; Moustafa, Ahmed A; Seo, Sung-Yum

    2017-07-25

    Misfolding and structural alteration in proteins lead to serious malfunctions and cause various diseases in humans. Mutations at the active binding site in tyrosinase impair structural stability and cause lethal albinism by abolishing copper binding. To evaluate the histidine mutational effect, all mutated structures were built using homology modelling. The protein sequence was retrieved from the UniProt database, and 3D models of original and mutated human tyrosinase sequences were predicted by changing the residual positions within the target sequence separately. Structural and mutational analyses were performed to interpret the significance of mutated residues (N 180 , R 202 , Q 202 , R 211 , Y 363 , R 367 , Y 367 and D 390 ) at the active binding site of tyrosinases. CSpritz analysis depicted that 23.25% residues actively participate in the instability of tyrosinase. The accuracy of predicted models was confirmed through online servers ProSA-web, ERRAT score and VERIFY 3D values. The theoretical pI and GRAVY generated results also showed the accuracy of the predicted models. The CCA negative correlation results depicted that the replacement of mutated residues at His within the active binding site disturbs the structural stability of tyrosinases. The predicted CCA scores of Tyr 367 (-0.079) and Q/R 202 (0.032) revealed that both mutations have more potential to disturb the structural stability. MD simulation analyses of all predicted models justified that Gln 202 , Arg 202 , Tyr 367 and D 390 replacement made the protein structures more susceptible to destabilization. Mutational results showed that the replacement of His with Q/R 202 and Y/R 363 has a lethal effect and may cause melanin associated diseases such as OCA1. Taken together, our computational analysis depicts that the mutated residues such as Q/R 202 and Y/R 363 actively participate in instability and misfolding of tyrosinases, which may govern OCA1 through disturbing the melanin biosynthetic pathway.

  6. Spinel-structured surface layers for facile Li ion transport and improved chemical stability of lithium manganese oxide spinel

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hae Ri [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Department of Chemical and Biological Engineering, Korea University, 145, Anam-ro, Seongbuk-gu, Seoul 136-701 (Korea, Republic of); Seo, Hyo Ree; Lee, Boeun; Cho, Byung Won [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Lee, Kwan-Young [Department of Chemical and Biological Engineering, Korea University, 145, Anam-ro, Seongbuk-gu, Seoul 136-701 (Korea, Republic of); Oh, Si Hyoung, E-mail: sho74@kist.re.kr [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of)

    2017-01-15

    Graphical abstract: Strategically-designed spinel-structured nano-scale surface layer, LiM{sub x}Mn{sup IV}{sub 1−x}O{sub 4}, featuring a high Li{sup +} ion conductivity and a good chemical stability was applied on Al-doped LiMn{sub 2}O{sub 4} spinel for the drastic improvement of the electrochemical performance at the elevated temperature as a promising cathode material for lithium rechargeable batteries. - Highlights: • Spinel-structured surface layer with a high Li-ion conductivity and a good chemical stability was prepared. • Simple wet process was developed to apply nano-scale surface layer on aluminum doped lithium manganese oxide spinel. • The properties of nano-scale surface layer were characterized by analytical tools including GITT, HR-TEM and XAS. • Materials with surface coating layer exhibit an excellent electrochemical performance at the elevated temperature. - Abstract: Li-ion conducting spinel-structured oxide layer with a manganese oxidation state close to being tetravalent was prepared on aluminum-doped lithium manganese oxide spinel for improving the electrochemical performances at the elevated temperatures. This nanoscale surface layer provides a good ionic conduction path for lithium ion transport to the core and also serves as an excellent chemical barrier for protecting the high-capacity core material from manganese dissolution into the electrolyte. In this work, a simple wet process was employed to prepare thin LiAlMnO{sub 4} and LiMg{sub 0.5}Mn{sub 1.5}O{sub 4} layers on the surface of LiAl{sub 0.1}Mn{sub 1.9}O{sub 4}. X-ray absorption studies revealed an oxidation state close to tetravalent manganese on the surface layer of coated materials. Materials with these surface coating layers exhibited excellent capacity retentions superior to the bare material, without undermining the lithium ion transport characteristics and the high rate performances.

  7. Effect of ionic liquid on activity, stability, and structure of enzymes: a review.

    Science.gov (United States)

    Naushad, Mu; Alothman, Zied Abdullah; Khan, Abbul Bashar; Ali, Maroof

    2012-11-01

    Ionic liquids have shown their potential as a solvent media for many enzymatic reactions as well as protein preservation, because of their unusual characteristics. It is also observed that change in cation or anion alters the physiochemical properties of the ionic liquids, which in turn influence the enzymatic reactions by altering the structure, activity, enatioselectivity, and stability of the enzymes. Thus, it is utmost need of the researchers to have full understanding of these influences created by ionic liquids before choosing or developing an ionic liquid to serve as solvent media for enzymatic reaction or protein preservation. So, in the present review, we try to shed light on effects of ionic liquids chemistry on structure, stability, and activity of enzymes, which will be helpful for the researchers in various biocatalytic applications. Copyright © 2012. Published by Elsevier B.V.

  8. A first-principles study on hydrogen in ZnS: Structure, stability and diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yu [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun 130012 (China); Xie, Sheng-Yi, E-mail: ayikongjian@gmail.com [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun 130012 (China); Meng, Xing, E-mail: mengxingjlu@163.com [College of Physics, Jilin University, Changchun 130012 (China)

    2015-02-20

    Based on first-principles calculations, the local structures and their energetic stability for impurity hydrogen (H) in semiconductor ZnS are investigated. H is most favorable to dwell in the bond center (BC) site in ZnS. The antibonding site of Zn (AB{sub Zn}) has close energy with BC. The antibonding site of S (AB{sub S}) and interstitial (I{sub H}) site have 0.19 eV and 0.44 eV energy cost, separately. The bond strength with S and Zn determines the stability of impurity H in ZnS. Meanwhile, H is highly moveable in ZnS. At the room temperature, H can overcome the barrier to diffuse through the neighboring BC site. - Highlights: • Local structures for hydrogen in ZnS are investigated. • Impurity level of hydrogen is modulated by bonding with S or Zn. • Hydrogen is highly moveable in ZnS.

  9. Relationship between the structural stability with the types and land uses in southeastern Spain

    International Nuclear Information System (INIS)

    Marin Sanleandro, P.; Sanchez Navarro, A.; Delgado Iniesta, M. J.; Fernandez-Delgado Juarez, M.

    2009-01-01

    Structural stability is one of the most important physical properties and is proposed as an indicator of quality. The aim of this study is to see the possible relationship between this property with soil types and uses of them. In this paper we have selected the Mazarron area based on their environmental characteristics and has taken forty-one topsoil samples, after analysis and study of the relationship between its structural stability with soil types and uses of same, we find a closer relationship in the case of uses that type, so that the natural soil as the percentage of stable aggregates close to 75%, while in soils anthropized this value reaches 44 %. (Author) 6 refs

  10. In Situ Encapsulating α-MnS into N,S-Codoped Nanotube-Like Carbon as Advanced Anode Material: α → β Phase Transition Promoted Cycling Stability and Superior Li/Na-Storage Performance in Half/Full Cells.

    Science.gov (United States)

    Liu, Dai-Huo; Li, Wen-Hao; Zheng, Yan-Ping; Cui, Zheng; Yan, Xin; Liu, Dao-Sheng; Wang, Jiawei; Zhang, Yu; Lü, Hong-Yan; Bai, Feng-Yang; Guo, Jin-Zhi; Wu, Xing-Long

    2018-04-02

    Incorporation of N,S-codoped nanotube-like carbon (N,S-NTC) can endow electrode materials with superior electrochemical properties owing to the unique nanoarchitecture and improved kinetics. Herein, α-MnS nanoparticles (NPs) are in situ encapsulated into N,S-NTC, preparing an advanced anode material (α-MnS@N,S-NTC) for lithium-ion/sodium-ion batteries (LIBs/SIBs). It is for the first time revealed that electrochemical α → β phase transition of MnS NPs during the 1st cycle effectively promotes Li-storage properties, which is deduced by the studies of ex situ X-ray diffraction/high-resolution transmission electron microscopy and electrode kinetics. As a result, the optimized α-MnS@N,S-NTC electrode delivers a high Li-storage capacity (1415 mA h g -1 at 50 mA g -1 ), excellent rate capability (430 mA h g -1 at 10 A g -1 ), and long-term cycling stability (no obvious capacity decay over 5000 cycles at 1 A g -1 ) with retained morphology. In addition, the N,S-NTC-based encapsulation plays the key roles on enhancing the electrochemical properties due to its high conductivity and unique 1D nanoarchitecture with excellent protective effects to active MnS NPs. Furthermore, α-MnS@N,S-NTC also delivers high Na-storage capacity (536 mA h g -1 at 50 mA g -1 ) without the occurrence of such α → β phase transition and excellent full-cell performances as coupling with commercial LiFePO 4 and LiNi 0.6 Co 0.2 Mn 0.2 O 2 cathodes in LIBs as well as Na 3 V 2 (PO 4 ) 2 O 2 F cathode in SIBs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. A theoretical study of the structure and stability of borohydride on 3d transition metals

    Science.gov (United States)

    Arevalo, Ryan Lacdao; Escaño, Mary Clare Sison; Gyenge, Elod; Kasai, Hideaki

    2012-12-01

    The adsorption of borohydride on 3d transition metals (Cr, Mn, Fe, Co, Ni and Cu) was studied using first principles calculations within spin-polarized density functional theory. Magnetic effect on the stability of borohydride is noted. Molecular adsorption is favorable on Co, Ni and Cu, which is characterized by the strong s-dzz hybridization of the adsorbate-substrate states. Dissociated adsorption structure yielding one or two H adatom fragments on the surface is observed for Cr, Mn and Fe.

  12. Chemical structure and radiation stability of solid crystalline antibiotics: thiamphenicol and chloramphenicol

    International Nuclear Information System (INIS)

    Varshney, Lalit; Soe Nwe

    1997-01-01

    Antibiotics in solid state show significant radiation resistance and some of them are exposed to gamma or electron beam irradiation for sterilization. Even small radiation degradation in solid state antibiotics is not desirable. Two antibiotics namely thiamphenicol (TPL) and chloramphenicol (CPL) having similar chemical and solid state structure were irradiated at different graded radiation doses to study their stability. Differential scanning calorimetry (DSC) was used to evaluate purity, entropy of radiation processing, heat of fusion and melting point. (author). 3 refs., 1 tab

  13. Structural Distortion Stabilizing the Antiferromagnetic and Semiconducting Ground State of BaMn2As2

    Directory of Open Access Journals (Sweden)

    Ekkehard Krüger

    2016-09-01

    Full Text Available We report evidence that the experimentally found antiferromagnetic structure as well as the semiconducting ground state of BaMn 2 As 2 are caused by optimally-localized Wannier states of special symmetry existing at the Fermi level of BaMn 2 As 2 . In addition, we find that a (small tetragonal distortion of the crystal is required to stabilize the antiferromagnetic semiconducting state. To our knowledge, this distortion has not yet been established experimentally.

  14. Proceedings of the workshop nuclear structure of light nuclei far from stability experiment and theory

    International Nuclear Information System (INIS)

    Klotz, G.

    1991-01-01

    The volume discuss nuclear structure of light and nuclei far from stability. The discussions took place in five sessions. In session 1 β decay, in session 2 nuclei near N=20, in session 3 radioactive ion beams' study with help of electromagnetic separators, in session 4 beta decay of light nuclei, in session 5 further papers were discussed in shell models, binding energy and chart of nuclides. (G.P.)

  15. Stability and structure of the membrane protein transporter Ffh is modulated by substrates and lipids

    DEFF Research Database (Denmark)

    Reinau, Marika Ejby; Otzen, Daniel

    2009-01-01

    the apoprotein. Escherichia coli lipid and DOPG (and to a smaller extent DOPC) increase Ffh's α-helical content, possibly related to Ffh's role in guiding membrane proteins to the membrane. Binding is largely mediated by electrostatic interactions but does not protect Ffh against trypsinolysis. We conclude...... that Ffh is a structurally flexible and dynamic protein whose stability is significantly modulated by the environment. © 2009 Elsevier Inc. All rights reserved....

  16. Structures, stabilities, and electronic properties for rare-earth lanthanum doped gold clusters

    International Nuclear Information System (INIS)

    Zhao, Ya-Ru

    2015-01-01

    The structures, stabilities, and electronic properties of rare-earth lanthanum doped gold La 2 Au n (n = 1-9) and pure gold Au n (n ≤ 11) clusters have been investigated by using density functional theory. The optimized geometries show that the lowest energy structures of La 2 Au n clusters favour the 3D structure at n ≥ 3. The lanthanum atoms can strongly enhance the stabilities of gold clusters and tend to occupy the most highly coordinated position. By analysing the gap, vertical ionization potential, and chemical hardness, it is found that the La 2 Au 6 isomer possesses higher stability for small-sized La 2 Au n clusters (n = 1-9). The charges in the La 2 Au n clusters transfer from La atoms to the Au n host. In addition, Wiberg bond indices analysis reveals that the intensity of different bonds of La 2 Au n clusters exhibits a sequence of La-La bond > La-Au bond > Au-Au bond.

  17. Influences of the Structure of Lipids on Thermal Stability of Lipid Membranes

    International Nuclear Information System (INIS)

    Hai Nan-Nan; Zhou Xin; Li Ming

    2015-01-01

    The binding free energy (BFE) of lipid to lipid bilayer is a critical factor to determine the thermal or mechanical stability of the bilayer. Although the molecular structure of lipids has significant impacts on BFE of the lipid, there lacks a systematic study on this issue. In this paper we use coarse-grained molecular dynamics simulation to investigate this problem for several typical phospholipids. We find that both the tail length and tail unsaturation can significantly affect the BFE of lipids but in opposite way, namely, BFE decreases linearly with increasing length, but increases linearly with addition of unsaturated bonds. Inspired by the specific structure of cholesterol which is a crucial component of biomembrane, we also find that introduction of carbo-ring-like structures to the lipid tail or to the bilayer may greatly enhance the stability of the bilayer. Our simulation also shows that temperature can influence the bilayer stability and this effect can be significant when the bilayer undergoes phase transition. These results may be helpful to the design of liposome or other self-assembled lipid systems. (paper)

  18. Hydrodynamic stability theory of double ablation front structures in inertial confinement fusion

    International Nuclear Information System (INIS)

    Yanez Vico, C.

    2012-11-01

    For moderate-Z materials, the hydrodynamic structure of the ablation region formed by the irradiation of high intensity laser beams differs from that of low-Z materials (hydrogenic ablators). In particular, the role played by the radiative energy flux becomes non-negligible for increasing atomic number material and ended up forming a second ablation front. This structure of two separated ablation fronts, called double ablation (DA) front, was confirmed in the simulations carried out by Fujioka et al. In this work a linear stability theory of DA fronts is developed for direct-drive inertial confinement fusion targets. Two models are proposed. First, a sharp boundary model where the thin front approximation is assumed for both ablation fronts. The information about the corona region that permits to close the sharp boundary model is obtained from a prior self-consistent analysis of the electronic-radiative ablation (ERA) front. Numerical results are presented as well as an analytical approach for the radiation dominated regime of very steep double ablation front structure. Second, a self-consistent numerical method where the finite length of the ablation fronts is considered. Accurate hydrodynamic profiles are taken into account in the theoretical model by means of a fitting parameters method using one-dimensional simulation results. Numerical dispersion relation is compared to the analytical sharp boundary model showing an excellent agreement for the radiation dominated regime, and the stabilization due to smooth profiles. 2D simulations are presented to validate the linear stability theory

  19. Structure and phase stability of a Pu-0.32 wt% Ga alloy

    Energy Technology Data Exchange (ETDEWEB)

    Wheeler, D.W., E-mail: David.Wheeler@awe.co.uk; Ennaceur, S.M.; Matthews, M.B.; Roussel, P.; Bayer, P.D.

    2016-08-01

    In plutonium-gallium (Pu-Ga) alloys that have a Ga content of 0.3–0.4 wt%, their readiness to transform to α′ renders them of particular interest in efforts to understand the tenuous nature of δ phase stability. The present study is a comprehensive examination of the structure and phase stability of a cast Pu-0.32 wt% Ga alloy, the Ga content being close to the minimum amount needed to retain the δ phase to ambient temperature. The alloy was characterised in both the as-cast condition as well as following a homogenising heat treatment. The 250-h heat treatment at 450 °C was shown to achieve an apparently stable δ-Pu phase. However, the stability of the δ-Pu phase was shown to be marginal: partial transformation to α′-Pu was observed when the alloy was subjected to hydrostatic compression. Similar transformation was also apparent during metallographic preparation as well as during hardness indentation. The results provide new understanding of the nature of δ phase stability. - Highlights: • New insights into the delta phase stability of a Pu-0.32 wt% Ga alloy. • Density and DSC of as-cast alloy both show α-Pu contents of approximately 30%. • The heat-treated alloy has a largely δ-Pu structure at ambient temperature. • Heat-treated alloy susceptible to δ → α transformation during hardness indentation.

  20. Stability and change in structural social relations as predictor of mortality among elderly women and men

    DEFF Research Database (Denmark)

    Lund, Rikke; Modvig, J; Due, P

    2000-01-01

    In a follow-up study of 70-95 years old women and men (n = 911) we studied the association between change and stability in three structural aspects of social relations (contact frequency, contact diversity, cohabitation status) from 1986-1990 and mortality after the next four years in 1994. Women.......02-14.94) and ORdiv: 6.04 (1.30-28.03). In summary, we found rather larger age differences in the strength of the association between change in structural social relations and mortality. Furthermore, the associations seemed stronger among women than men, which may however mainly be explained by the small number...

  1. The global stability of a delayed predator-prey system with two stage-structure

    International Nuclear Information System (INIS)

    Wang Fengyan; Pang Guoping

    2009-01-01

    Based on the classical delayed stage-structured model and Lotka-Volterra predator-prey model, we introduce and study a delayed predator-prey system, where prey and predator have two stages, an immature stage and a mature stage. The time delays are the time lengths between the immature's birth and maturity of prey and predator species. Results on global asymptotic stability of nonnegative equilibria of the delay system are given, which generalize and suggest that good continuity exists between the predator-prey system and its corresponding stage-structured system.

  2. Oxidative stability of mayonnaise containing structured lipids produced from sunflower oil and caprylic acid

    DEFF Research Database (Denmark)

    Jacobsen, Charlotte; Xu, Xuebing; Nielsen, Nina Skall

    2003-01-01

    Mayonnaise based on enzymatically produced specific structured lipid (SL) from sunflower oil and caprylic acid was compared with mayonnaise based on traditional sunflower oil (SO) or chemically randomized lipid (RL) with respect to their oxidative stability, sensory and rheological properties......, but was most likely influenced by the structure of the lipid, the lower tocopherol content and the higher initial levels of lipid hydroperoxides and secondary volatile oxidation compounds in the SL itself compared with the RL and traditional sunflower oil employed. EDTA was a strong antioxidant, while propyl...

  3. Corroded Anchor Structure Stability/Reliability (CAS_Stab-R) Software for Hydraulic Structures

    Science.gov (United States)

    2017-12-01

    Army Engineer Research and Development Center 3909 Halls Ferry Road Vicksburg, MS 39180-6199 Final report Approved for public release...and maintenance of a large inventory of concrete navigation structures. Over the last 40 years, a number of existing Corps hydraulic structures have...ORGANIZATION NAME(S) AND ADDRESS(ES) Information Technology Laboratory U.S. Army Engineer Research and Development Center 3909 Halls Ferry Road

  4. Role of tryptophan 95 in substrate specificity and structural stability of Sulfolobus solfataricus alcohol dehydrogenase.

    Science.gov (United States)

    Pennacchio, Angela; Esposito, Luciana; Zagari, Adriana; Rossi, Mosè; Raia, Carlo A

    2009-09-01

    A mutant of the thermostable NAD(+)-dependent (S)-stereospecific alcohol dehydrogenase from Sulfolobus solfataricus (SsADH) which has a single substitution, Trp95Leu, located at the substrate binding pocket, was fully characterized to ascertain the role of Trp95 in discriminating between chiral secondary alcohols suggested by the wild-type SsADH crystallographic structure. The Trp95Leu mutant displays no apparent activity with short-chain primary and secondary alcohols and poor activity with aromatic substrates and coenzyme. Moreover, the Trp --> Leu substitution affects the structural stability of the archaeal ADH, decreasing its thermal stability without relevant changes in secondary structure. The double mutant Trp95Leu/Asn249Tyr was also purified to assist in crystallographic analysis. This mutant exhibits higher activity but decreased affinity toward aliphatic alcohols, aldehydes as well as NAD(+) and NADH compared to the wild-type enzyme. The crystal structure of the Trp95Leu/Asn249Tyr mutant apo form, determined at 2.0 A resolution, reveals a large local rearrangement of the substrate site with dramatic consequences. The Leu95 side-chain conformation points away from the catalytic metal center and the widening of the substrate site is partially counteracted by a concomitant change of Trp117 side chain conformation. Structural changes at the active site are consistent with the reduced activity on substrates and decreased coenzyme binding.

  5. First principles study of structural stability and site preference in Co3 (W,X

    Directory of Open Access Journals (Sweden)

    Joshi Sri Raghunath

    2014-01-01

    Full Text Available Since the discovery [1] of γ′ precipitate (L12 – Co3(Al, W in the Co-Al-W ternary system, there has been an increased interest in Co-based superalloys. Since these alloys have two phase microstructures (γ + γ′ similar to Ni-based superalloys [2], they are viable candidates in high temperature applications, particularly in land-based turbines. The role of alloying on stability of the γ′ phase has been an active area of research. In this study, electronic structure calculations were done to probe the effect of alloying in Co3W with L12 structure. Compositions of type Co3(W,X, (where X/Y = Mn, Fe, Ni, Pt, Cr , Al, Si, V, W, Ta, Ti, Nb, Hf, Zr and Mo were studied. Effect of alloying on equilibrium lattice parameters and ground state energies was used to calculate Vegard's coefficients and site preference related data. The effect of alloying on the stability of the L12 structure vis a vis other geometrically close packed ordered structures was also studied for a range of Co3X compounds. Results suggest that the penchant of element for the W sublattice can be predicted by comparing heats of formation of Co3X in different structures.

  6. Flexible Structure Control Scheme of a UAVs Formation to Improve the Formation Stability During Maneuvers

    Directory of Open Access Journals (Sweden)

    Kownacki Cezary

    2017-09-01

    Full Text Available One of the issues related to formation flights, which requires to be still discussed, is the stability of formation flight in turns, where the aerodynamic conditions can be substantially different for outer vehicles due to varying bank angles. Therefore, this paper proposes a decentralized control algorithm based on a leader as the reference point for followers, i.e. other UAVs and two flocking behaviors responsible for local position control, i.e. cohesion and repulsion. But opposite to other research in this area, the structure of the formation becomes flexible (structure is being reshaped and bent according to actual turn radius of the leader. During turns the structure is bent basing on concentred circles with different radiuses corresponding to relative locations of vehicles in the structure. Simultaneously, UAVs' air-speeds must be modified according to the length of turn radius to achieve the stability of the structure. The effectiveness of the algorithm is verified by the results of simulated flights of five UAVs.

  7. Interactive effects of body-size structure and adaptive foraging on food-web stability.

    Science.gov (United States)

    Heckmann, Lotta; Drossel, Barbara; Brose, Ulrich; Guill, Christian

    2012-03-01

    Body-size structure of food webs and adaptive foraging of consumers are two of the dominant concepts of our understanding how natural ecosystems maintain their stability and diversity. The interplay of these two processes, however, is a critically important yet unresolved issue. To fill this gap in our knowledge of ecosystem stability, we investigate dynamic random and niche model food webs to evaluate the proportion of persistent species. We show that stronger body-size structures and faster adaptation stabilise these food webs. Body-size structures yield stabilising configurations of interaction strength distributions across food webs, and adaptive foraging emphasises links to resources closer to the base. Moreover, both mechanisms combined have a cumulative effect. Most importantly, unstructured random webs evolve via adaptive foraging into stable size-structured food webs. This offers a mechanistic explanation of how size structure adaptively emerges in complex food webs, thus building a novel bridge between these two important stabilising mechanisms. © 2012 Blackwell Publishing Ltd/CNRS.

  8. Structure and stability insights into tumour suppressor p53 evolutionary related proteins.

    Directory of Open Access Journals (Sweden)

    Bruno Pagano

    Full Text Available The p53 family of genes and their protein products, namely, p53, p63 and p73, have over one billion years of evolutionary history. Advances in computational biology and genomics are enabling studies of the complexities of the molecular evolution of p53 protein family to decipher the underpinnings of key biological conditions spanning from cancer through to various metabolic and developmental disorders and facilitate the design of personalised medicines. However, a complete understanding of the inherent nature of the thermodynamic and structural stability of the p53 protein family is still lacking. This is due, to a degree, to the lack of comprehensive structural information for a large number of homologous proteins and to an incomplete knowledge of the intrinsic factors responsible for their stability and how these might influence function. Here we investigate the thermal stability, secondary structure and folding properties of the DNA-binding domains (DBDs of a range of proteins from the p53 family using biophysical methods. While the N- and the C-terminal domains of the p53 family show sequence diversity and are normally targets for post-translational modifications and alternative splicing, the central DBD is highly conserved. Together with data obtained from Molecular Dynamics simulations in solution and with structure based homology modelling, our results provide further insights into the molecular properties of evolutionary related p53 proteins. We identify some marked structural differences within the p53 family, which could account for the divergence in biological functions as well as the subtleties manifested in the oligomerization properties of this family.

  9. The Grading Entropy-based Criteria for Structural Stability of Granular Materials and Filters

    Directory of Open Access Journals (Sweden)

    Janos Lőrincz

    2015-05-01

    Full Text Available This paper deals with three grading entropy-based rules that describe different soil structure stability phenomena: an internal stability rule, a filtering rule and a segregation rule. These rules are elaborated on the basis of a large amount of laboratory testing and from existing knowledge in the field. Use is made of the theory of grading entropy to derive parameters which incorporate all of the information of the grading curve into a pair of entropy-based parameters that allow soils with common behaviours to be grouped into domains on an entropy diagram. Applications of the derived entropy-based rules are presented by examining the reason of a dam failure, by testing against the existing filter rules from the literature, and by giving some examples for the design of non-segregating grading curves (discrete particle size distributions by dry weight. A physical basis for the internal stability rule is established, wherein the higher values of base entropy required for granular stability are shown to reflect the closeness between the mean and maximum grain diameters, which explains how there are sufficient coarser grains to achieve a stable grain skeleton.

  10. Related Structure Characters and Stability of Structural Defects in a Metallic Glass.

    Science.gov (United States)

    Niu, Xiaofeng; Feng, Shidong; Pan, Shaopeng

    2018-03-22

    Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr 50 Cu 50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals that the spatial distribution of the numbers of QNAs displays to be clearly heterogeneous. Furthermore, QNA is closely correlated with cluster connections, especially four-atom cluster connections. Atoms with larger coordination numbers usually have less QNAs. When two atoms have the same coordination number, the atom with larger five-fold symmetry has less QNAs. The number of QNAs around an atom changes rather frequently and the change of QNAs might be correlated with the fast relaxation metallic glasses.

  11. Related Structure Characters and Stability of Structural Defects in a Metallic Glass

    Science.gov (United States)

    Niu, Xiaofeng; Feng, Shidong; Pan, Shaopeng

    2018-01-01

    Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr50Cu50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals that the spatial distribution of the numbers of QNAs displays to be clearly heterogeneous. Furthermore, QNA is closely correlated with cluster connections, especially four-atom cluster connections. Atoms with larger coordination numbers usually have less QNAs. When two atoms have the same coordination number, the atom with larger five-fold symmetry has less QNAs. The number of QNAs around an atom changes rather frequently and the change of QNAs might be correlated with the fast relaxation metallic glasses. PMID:29565298

  12. Crustal structure of the Churchill-Superior boundary zone between 80 and 98 deg W longitude from Magsat anomaly maps and stacked passes

    Science.gov (United States)

    Hall, D. H.; Millar, T. W.; Noble, I. A.

    1985-01-01

    A modeling technique using spherical shell elements and equivalent dipole sources has been applied to Magsat signatures at the Churchill-Superior boundary in Manitoba, Ontario, and Ungava. A large satellite magnetic anomaly (12 nT amplitude) on POGO and Magsat maps near the Churchill-Superior boundary was found to be related to the Richmond Gulf aulacogen. The averaged crustal magnetization in the source region is 5.2 A/m. Stacking of the magnetic traces from Magsat passes reveals a magnetic signature (10 nT amplitude) at the Churchill-Superior boundary in an area studied between 80 deg W and 98 deg W. Modeling suggests a steplike thickening of the crust on the Churchill side of the boundary in a layer with a magnetization of 5 A/m. Signatures on aeromagnetic maps are also found in the source areas for both of these satellite anomalies.

  13. Micromagnetic study of skyrmion stability in confined magnetic structures with perpendicular anisotropy

    Science.gov (United States)

    Novak, R. L.; Garcia, F.; Novais, E. R. P.; Sinnecker, J. P.; Guimarães, A. P.

    2018-04-01

    Skyrmions are emerging topological spin structures that are potentially revolutionary for future data storage and spintronics applications. The existence and stability of skyrmions in magnetic materials is usually associated to the presence of the Dzyaloshinskii-Moriya interaction (DMI) in bulk magnets or in magnetic thin films lacking inversion symmetry. While some methods have already been proposed to generate isolated skyrmions in thin films with DMI, a thorough study of the conditions under which the skyrmions will remain stable in order to be manipulated in an integrated spintronic device are still an open problem. The stability of such structures is believed to be a result of ideal combinations of perpendicular magnetic anisotropy (PMA), DMI and the interplay between geometry and magnetostatics. In the present work we show some micromagnetic results supporting previous experimental observations of magnetic skyrmions in spin-valve stacks with a wide range of DMI values. Using micromagnetic simulations of cobalt-based disks, we obtain the magnetic ground state configuration for several values of PMA, DMI and geometric parameters. Skyrmion numbers, corresponding to the topological charge, are calculated in all cases and confirm the occurrence of isolated, stable, axially symmetric skyrmions for several combinations of DMI and anisotropy constant. The stability of the skyrmions in disks is then investigated under magnetic field and spin-polarized current, in finite temperature, highlighting the limits of applicability of these spin textures in spintronic devices.

  14. Stability of the octameric structure affects plasminogen-binding capacity of streptococcal enolase.

    Directory of Open Access Journals (Sweden)

    Amanda J Cork

    Full Text Available Group A Streptococcus (GAS is a human pathogen that has the potential to cause invasive disease by binding and activating human plasmin(ogen. Streptococcal surface enolase (SEN is an octameric α-enolase that is localized at the GAS cell surface. In addition to its glycolytic role inside the cell, SEN functions as a receptor for plasmin(ogen on the bacterial surface, but the understanding of the molecular basis of plasmin(ogen binding is limited. In this study, we determined the crystal and solution structures of GAS SEN and characterized the increased plasminogen binding by two SEN mutants. The plasminogen binding ability of SENK312A and SENK362A is ~2- and ~3.4-fold greater than for the wild-type protein. A combination of thermal stability assays, native mass spectrometry and X-ray crystallography approaches shows that increased plasminogen binding ability correlates with decreased stability of the octamer. We propose that decreased stability of the octameric structure facilitates the access of plasmin(ogen to its binding sites, leading to more efficient plasmin(ogen binding and activation.

  15. Study on thermal stability and chemical structure of polyamide blended with small amount of Cu

    International Nuclear Information System (INIS)

    Arai, Tsuyoshi; Ueno, Tomonaga; Kajiya, Takafumi; Ishikawa, Tomoyuki; Takeda, Kunihiko

    2007-01-01

    The thermal stability and the chemical structure of Polyamide 66 (PA66) blended with a small amount of copper have been studied. The thermal degradation of the blend with 35 ppm or more of copper was restrained and no strong influence of the concentration of copper was observed. The molecular weight of PA66 decreased by the thermal aging process but the amount of decrease of the blend was smaller than that of the non-blend. The water uptake of the blend increased. The chemical structure, which was observed by IR and NMR, changed slightly by blending with copper after aging at higher temperatures. Multiple items influenced the thermal stability of PA66 blended with a small amount of copper instead of just one. Namely, the main chain of PA66 is cut by heat and the degree of the cut is restrained by the copper. The diffusion time of copper atoms that disperse uniformly in the PA66 matrix is short enough to cover the individual amide groups and the effect enlarges the entire configuration of the PA66 chain to enhance the thermal stability. (author)

  16. Designing of new structure PID controller of boost converter for solar photovoltaic stability

    Science.gov (United States)

    Shabrina, Hanifati Nur; Setiawan, Eko Adhi; Sabirin, Chip Rinaldi

    2017-03-01

    Nowadays, the utilization of renewable energy as the source on distributed generation system is increasing. It aims to reduce reliance and power losses from utility grid and improve power stability in near loads. One example of renewable energy technology that have been highly proven on the market is solar photovoltaic (PV). This technology converts photon from sunlight into electricity. However, the fluctuation of solar radiation that often occurs become the main problem for this system. Due to this condition, the power conversion is needed to convert the change frequently in photovoltaic panel into a stable voltage to the system. Developing control of boost converter has important role to keep ability of system stabilization. A conventional PID (Proportional, Integral, Derivative) control is mostly used to achieve this goal. In this research, a design of new structure PID controller of boost converter is offered to better optimize system stability comparing to the conventional PID. Parameters obtained from this PID structure have been successfully yield a stable boost converter output at 200 V with 10% overshoot, 1.5 seconds of settling time, and 1.5% of steady-state error.

  17. Structure and defect studies of In2O3:Zn,Zr for higher stability TCO

    Science.gov (United States)

    Herwadkar, Aditi; Kim, Kwiseon

    2010-03-01

    The defects structures among the transparent conducting oxides (TCO) plays a major role in determining stability of the oxide over a temperature range and in tuning electrical and optical properties for the different TCO applications In2O3 crystallizes in the cubic bixbyite structure. The structure can be derived from the related fluorite structure by removing one fourth of the anions and allowing for small shifts of the ionic positions. In2O3 has two non-equivalent six-fold coordinated cation sites. For one of the sites, the cation is bounded by two structural vacancy along the body diagonal and for the other non-equivalent site the vacancies lie along the face diagonal. These vacancies are actually empty oxygen vacancy positions. Indium is in +3 charge state. ZnO on the other hand crystallizes to form wurtzite structure with four-fold coordination for Zn and is in +2 charge state where as the crystal structure of ZrO is rulite with Zr in +4 charge state and is four fold coordinated. Co-doping of Zn and Zr with each substituting the In atom satisfies the octet rule and is lower in energy then the individual substitutions with overall neutrality. The formation enthalpy as a function of pair (Zn, Zr) shows a minimum at experimental composition of In2(Zn,Zr)3O24. We in this work present the electronic structure optimization and study the defect states in this material.

  18. Electronic structure effects on stability and quantum conductance in 2D gold nanowires

    International Nuclear Information System (INIS)

    Kashid, Vikas; Shah, Vaishali; Salunke, H. G.

    2011-01-01

    In this study, we have investigated the stability and conductivity of unsupported, two-dimensional infinite gold nanowires using ab initio density functional theory (DFT). Two-dimensional ribbon-like nanowires with 1–5 rows of gold atoms in the non-periodic direction and with different possible structures have been considered. The nanowires with >2 rows of atoms exhibit dimerization, similar to finite wires, along the non-periodic direction. Our results show that in these zero thickness nanowires, the parallelogram motif is the most stable. A comparison between parallelogram- and rectangular-shaped nanowires of increasing width indicates that zero thickness (111) oriented wires have a higher stability over (100). A detailed analysis of the electronic structure, reveals that the (111) oriented structures show increased delocalization of s and p electrons in addition to a stronger delocalization of the d electrons and hence are the most stable. The density of states show that the nanowires are metallic and conducting except for the double zigzag structure, which is semiconducting. Conductance calculations show transmission for a wide range of energies in all the stable nanowires with more than two rows of atoms. The conductance channels are not purely s and have strong contributions from the d levels, and weak contributions from the p levels.

  19. Improving stability and strength characteristics of framed structures with nonlinear behavior

    Science.gov (United States)

    Pezeshk, Shahram

    1990-01-01

    In this paper an optimal design procedure is introduced to improve the overall performance of nonlinear framed structures. The design methodology presented here is a multiple-objective optimization procedure whose objective functions involve the buckling eigenvalues and eigenvectors of the structure. A constant volume with bounds on the design variables is used in conjunction with an optimality criterion approach. The method provides a general tool for solving complex design problems and generally leads to structures with better limit strength and stability. Many algorithms have been developed to improve the limit strength of structures. In most applications geometrically linear analysis is employed with the consequence that overall strength of the design is overestimated. Directly optimizing the limit load of the structure would require a full nonlinear analysis at each iteration which would be prohibitively expensive. The objective of this paper is to develop an algorithm that can improve the limit-load of geometrically nonlinear framed structures while avoiding the nonlinear analysis. One of the novelties of the new design methodology is its ability to efficiently model and design structures under multiple loading conditions. These loading conditions can be different factored loads or any kind of loads that can be applied to the structure simultaneously or independently. Attention is focused on optimal design of space framed structures. Three-dimensional design problems are more complicated to carry out, but they yield insight into real behavior of the structure and can help avoiding some of the problems that might appear in planar design procedure such as the need for out-of-plane buckling constraint. Although researchers in the field of structural engineering generally agree that optimum design of three-dimension building frames especially in the seismic regions would be beneficial, methods have been slow to emerge. Most of the research in this area has dealt

  20. A Subset of Autism-Associated Genes Regulate the Structural Stability of Neurons

    Science.gov (United States)

    Lin, Yu-Chih; Frei, Jeannine A.; Kilander, Michaela B. C.; Shen, Wenjuan; Blatt, Gene J.

    2016-01-01

    Autism spectrum disorder (ASD) comprises a range of neurological conditions that affect individuals’ ability to communicate and interact with others. People with ASD often exhibit marked qualitative difficulties in social interaction, communication, and behavior. Alterations in neurite arborization and dendritic spine morphology, including size, shape, and number, are hallmarks of almost all neurological conditions, including ASD. As experimental evidence emerges in recent years, it becomes clear that although there is broad heterogeneity of identified autism risk genes, many of them converge into similar cellular pathways, including those regulating neurite outgrowth, synapse formation and spine stability, and synaptic plasticity. These mechanisms together regulate the structural stability of neurons and are vulnerable targets in ASD. In this review, we discuss the current understanding of those autism risk genes that affect the structural connectivity of neurons. We sub-categorize them into (1) cytoskeletal regulators, e.g., motors and small RhoGTPase regulators; (2) adhesion molecules, e.g., cadherins, NCAM, and neurexin superfamily; (3) cell surface receptors, e.g., glutamatergic receptors and receptor tyrosine kinases; (4) signaling molecules, e.g., protein kinases and phosphatases; and (5) synaptic proteins, e.g., vesicle and scaffolding proteins. Although the roles of some of these genes in maintaining neuronal structural stability are well studied, how mutations contribute to the autism phenotype is still largely unknown. Investigating whether and how the neuronal structure and function are affected when these genes are mutated will provide insights toward developing effective interventions aimed at improving the lives of people with autism and their families. PMID:27909399

  1. Bathymetry of Lake Superior

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Bathymetry of Lake Superior has been compiled as a component of a NOAA project to rescue Great Lakes lake floor geological and geophysical data and make it more...

  2. Superior Hiking Trail Facilities

    Data.gov (United States)

    Minnesota Department of Natural Resources — Superior Hiking Trail main trail, spurs, and camp spurs for completed trail throughout Cook, Lake, St. Louis and Carlton counties. These data were collected with...

  3. Superior Hiking Trail

    Data.gov (United States)

    Minnesota Department of Natural Resources — Superior Hiking Trail main trail, spurs, and camp spurs for completed trail throughout Cook, Lake, St. Louis and Carlton counties. These data were collected with...

  4. Stabilization of crystal and magnetic structure of Gd2Al1-xInx

    International Nuclear Information System (INIS)

    Niazi, M.; Yazdani, A.

    2006-01-01

    A random mixture of two compounds with different type of crystal structure and magnetic characteristic which can lead to a new phase, is studied to find out the critical point at which both of them stabilized. such an interesting random system can be found by; 1) Gd 2 Al with two different magnetic phase transition on which T c is unstable 2) Gd 2 In which is also shows two magnetic phase transition, but completely different with Gd 2 Al on which T N is unstable. The stabilized point which is consider experimentally by X-Ray diffraction and theoretically by WIEN2K is suggested to be at x=0.3 where it is a good agreement between these two methods.

  5. Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.

    Science.gov (United States)

    Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei

    2017-10-04

    A borylene cation stabilized by bis(silylene) and carbon monoxide was prepared and structurally characterized via the reaction of bis(silylene)-stabilized bromoborylene with W(CO) 6 . This is the first example of a borylene cation coordinated by three neutral ligands, which can be viewed as a cationic form of a long-sought Lewis base-stabilized zerovalent boron compound. This cation can cleave dihydrogen.

  6. Effect of homogenization and pasteurization on the structure and stability of whey protein in milk.

    Science.gov (United States)

    Qi, Phoebe X; Ren, Daxi; Xiao, Yingping; Tomasula, Peggy M

    2015-05-01

    The effect of homogenization alone or in combination with high-temperature, short-time (HTST) pasteurization or UHT processing on the whey fraction of milk was investigated using highly sensitive spectroscopic techniques. In pilot plant trials, 1-L quantities of whole milk were homogenized in a 2-stage homogenizer at 35°C (6.9 MPa/10.3 MPa) and, along with skim milk, were subjected to HTST pasteurization (72°C for 15 s) or UHT processing (135°C for 2 s). Other whole milk samples were processed using homogenization followed by either HTST pasteurization or UHT processing. The processed skim and whole milk samples were centrifuged further to remove fat and then acidified to pH 4.6 to isolate the corresponding whey fractions, and centrifuged again. The whey fractions were then purified using dialysis and investigated using the circular dichroism, Fourier transform infrared, and Trp intrinsic fluorescence spectroscopic techniques. Results demonstrated that homogenization combined with UHT processing of milk caused not only changes in protein composition but also significant secondary structural loss, particularly in the amounts of apparent antiparallel β-sheet and α-helix, as well as diminished tertiary structural contact. In both cases of homogenization alone and followed by HTST treatments, neither caused appreciable chemical changes, nor remarkable secondary structural reduction. But disruption was evident in the tertiary structural environment of the whey proteins due to homogenization of whole milk as shown by both the near-UV circular dichroism and Trp intrinsic fluorescence. In-depth structural stability analyses revealed that even though processing of milk imposed little impairment on the secondary structural stability, the tertiary structural stability of whey protein was altered significantly. The following order was derived based on these studies: raw whole>HTST, homogenized, homogenized and pasteurized>skimmed and pasteurized, and skimmed UHT

  7. YNi and its hydrides: Phase stabilities, electronic structures and chemical bonding properties from first principles

    International Nuclear Information System (INIS)

    Matar, S.F.; Nakhl, M.; Al Alam, A.F.; Ouaini, N.; Chevalier, B.

    2010-01-01

    Graphical abstract: Base centered orthorhombic YNiH X structure. For x = 3, only H1 and H2 are present. Highest hydrogen content YNiH 4 is obtained when H3 are added. - Abstract: Within density functional theory, establishing the equations of states of YNi in two different controversial structures in the literature, leads to determine the orthorhombic FeB-type as the ground state one with small energy difference. For YNiH 3 and YNiH 4 hydrides crystallizing in the orthorhombic CrB-type structure the geometry optimization and the ab initio determination of the H atomic positions show that the stability of hydrogen decreases from the tri- to the tetra- hydride. New states brought by hydrogen within the valence band lead to its broadening and to enhanced localization of metal density of states. The chemical bonding analysis shows a preferential Ni-H bonding versus Y-H.

  8. YNi and its hydrides: Phase stabilities, electronic structures and chemical bonding properties from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Matar, S.F., E-mail: matar@icmcb-bordeaux.cnrs.fr [CNRS, Universite de Bordeaux, ICMCB, 87 avenue du Docteur Albert Schweitzer, F-33608 Pessac (France); Nakhl, M. [Universite Libanaise, Laboratoire de Chimie-Physique des Materiaux LCPM, Fanar (Lebanon); Al Alam, A.F.; Ouaini, N. [Universite Saint-Esprit de Kaslik, Faculte des Sciences et de Genie Informatique, Jounieh (Lebanon); Chevalier, B. [CNRS, Universite de Bordeaux, ICMCB, 87 avenue du Docteur Albert Schweitzer, F-33608 Pessac (France)

    2010-11-25

    Graphical abstract: Base centered orthorhombic YNiH{sub X} structure. For x = 3, only H1 and H2 are present. Highest hydrogen content YNiH{sub 4} is obtained when H3 are added. - Abstract: Within density functional theory, establishing the equations of states of YNi in two different controversial structures in the literature, leads to determine the orthorhombic FeB-type as the ground state one with small energy difference. For YNiH{sub 3} and YNiH{sub 4} hydrides crystallizing in the orthorhombic CrB-type structure the geometry optimization and the ab initio determination of the H atomic positions show that the stability of hydrogen decreases from the tri- to the tetra- hydride. New states brought by hydrogen within the valence band lead to its broadening and to enhanced localization of metal density of states. The chemical bonding analysis shows a preferential Ni-H bonding versus Y-H.

  9. Dynamics and stability of radiation-driven double ablation front structures

    International Nuclear Information System (INIS)

    Drean, V.; Olazabal-Loume, M.; Tikhonchuk, V. T.; Sanz, J.

    2010-01-01

    The dynamics of double ablation front (DAF) structures is studied for planar targets with moderate atomic number ablators. These structures are obtained in hydrodynamic simulations for various materials and laser intensities and are qualitatively characterized during the acceleration stage of the target. The importance of the radiative transport for the DAF dynamics is then demonstrated. Simulated hydrodynamic profiles are compared with a theoretical model, showing the consistency of the model and the relevant parameters for the dynamics description. The stability of DAF structures with respect to two-dimensional perturbations is studied using two different approaches: one considers the assumptions of the theoretical model and the other one a more complete physics. The numerical simulations performed with both approaches demonstrate good agreement of dispersion curves.

  10. Development of tantalum oxynitride thin films produced by PVD: Study of structural stability

    Energy Technology Data Exchange (ETDEWEB)

    Cristea, D. [Centro de Física, Universidade do Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Department of Materials Science, Transylvania University, 500036 Brasov (Romania); Crisan, A. [Department of Materials Science, Transylvania University, 500036 Brasov (Romania); Barradas, N.P.; Alves, E. [Instituto Superior Técnico, Universidade Técnica de Lisboa Estrada Nacional 10, ao km 139,7 2695-066, Bobadela LRS (Portugal); Moura, C.; Vaz, F. [Centro de Física, Universidade do Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Cunha, L., E-mail: lcunha@fisica.uminho.pt [Centro de Física, Universidade do Minho, Campus de Gualtar, 4710-057 Braga (Portugal)

    2013-11-15

    The purpose of this work is to study the evolution of the structure and of the thermal stability of a group of tantalum oxynitride thin films, prepared by magnetron sputtering, under the influence of vacuum annealing, up to a temperature of 800 °C. When varying the partial pressure of the reactive gases (P{sub O{sub 2+N{sub 2}}}), during the deposition process, the films change from a structure with a combination of poorly developed crystallites of the tetragonal β-Ta and of the face centred cubic (fcc) Ta(O,N) phases, for the films deposited with low P{sub O2+N2}, to a quasi-amorphous structure, for the films deposited with highest pressures. For intermediate pressures, the films reveal the presence of the fcc-Ta(O,N) structure. This structure corresponds to O atoms substituting some of the N atoms on the fcc-TaN structure and/or N atoms substituting O atoms of the fcc-γ-TaO structure. When subjected to the thermal annealing at 700 °C or higher, the film produced with lowest partial pressure revealed a remarkable structural change. New diffraction peaks appear and can only be attributed to a sub-stoichiometric hexagonal tantalum nitride structure. The film did not reveal any signs of delamination or cracks after all annealing temperatures. The two films produced with highest partial pressure proved to be the most stable. Structurally, they maintain the amorphous structure after all the annealing treatments and, in addition, no cracks or delamination were detected.

  11. Dromion-like structures and stability analysis in the variable coefficients complex Ginzburg–Landau equation

    International Nuclear Information System (INIS)

    Wong, Pring; Pang, Li-Hui; Huang, Long-Gang; Li, Yan-Qing; Lei, Ming; Liu, Wen-Jun

    2015-01-01

    The study of the complex Ginzburg–Landau equation, which can describe the fiber laser system, is of significance for ultra-fast laser. In this paper, dromion-like structures for the complex Ginzburg–Landau equation are considered due to their abundant nonlinear dynamics. Via the modified Hirota method and simplified assumption, the analytic dromion-like solution is obtained. The partial asymmetry of structure is particularly discussed, which arises from asymmetry of nonlinear and dispersion terms. Furthermore, the stability of dromion-like structures is analyzed. Oscillation structure emerges to exhibit strong interference when the dispersion loss is perturbed. Through the appropriate modulation of modified exponent parameter, the oscillation structure is transformed into two dromion-like structures. It indicates that the dromion-like structure is unstable, and the coherence intensity is affected by the modified exponent parameter. Results in this paper may be useful in accounting for some nonlinear phenomena in fiber laser systems, and understanding the essential role of modified Hirota method

  12. Prediction and analysis of structure, stability and unfolding of thermolysin-like proteases

    Science.gov (United States)

    Vriend, Gert; Eijsink, Vincent

    1993-08-01

    Bacillus neutral proteases (NPs) form a group of well-characterized homologous enzymes, that exhibit large differences in thermostability. The three-dimensional (3D) structures of several of these enzymes have been modelled on the basis of the crystal structures of the NPs of B. thermoproteolyticus (thermolysin) and B. cercus. Several new techniques have been developed to improve the model-building procedures. Also a model-building by mutagenesis' strategy was used, in which mutants were designed just to shed light on parts of the structures that were particularly hard to model. The NP models have been used for the prediction of site-directed mutations aimed at improving the thermostability of the enzymes. Predictions were made using several novel computational techniques, such as position-specific rotamer searching, packing quality analysis and property-profile database searches. Many stabilizing mutations were predicted and produced: improvement of hydrogen bonding, exclusion of buried water molecules, capping helices, improvement of hydrophobic interactions and entropic stabilization have been applied successfully. At elevated temperatures NPs are irreversibly inactivated as a result of autolysis. It has been shown that this denaturation process is independent of the protease activity and concentration and that the inactivation follows first-order kinetics. From this it has been conjectured that local unfolding of (surface) loops, which renders the protein susceptible to autolysis, is the rate-limiting step. Despite the particular nature of the thermal denaturation process, normal rules for protein stability can be applied to NPs. However, rather than stabilizing the whole protein against global unfolding, only a small region has to be protected against local unfolding. In contrast to proteins in general, mutational effects in proteases are not additive and their magnitude is strongly dependent on the location of the mutation. Mutations that alter the stability

  13. Structure and Function of the Superior Temporal Plane in Adult Males with Cleft Lip and Palate: Pathologic Enlargement with No Relationship to Childhood Hearing Deficits

    Science.gov (United States)

    Shriver, A. S.; Canady, J.; Richman, L.; Andreasen, N. C.; Nopoulos, P.

    2006-01-01

    Background: In a previous study from our lab, adult males with non-syndromic cleft lip and/or palate (NSCLP) were shown to have significantly lower temporal lobe gray matter volume than matched controls. The current study was designed to begin a regional analysis of specific subregions of the temporal lobe. The superior temporal plane (STP) is a…

  14. Structural stability and elastic properties of L12 Co3(Ga,W) precipitate from first-principle calculations

    International Nuclear Information System (INIS)

    Yao Qiang; Zhu Yuhong; Wang Yan

    2011-01-01

    Ultrasoft pseudopotential within a generalized gradient approximation was employed to study the structural stability, electronic structure, and elastic properties of ternary Co 3 (Ga,W) precipitate. The Young's and shear moduli of the polycrystals containing the Co 3 (Ga,W) precipitate were calculated using the Voigt-Reuss-Hill averaging scheme. Results show that the stable ternary Co 3 (Ga,W) compound has the L1 2 structure, and is ductile in nature. The structural stability of the Co 3 (Ga,W) compound is discussed together with the calculated electronic structure.

  15. Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

    International Nuclear Information System (INIS)

    Shi, Jade; Schwantes, Christian; Bilsel, Osman

    2017-01-01

    The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. We report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structure of the excited state ensemble. The resulting prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. We then predict incisive single molecule FRET experiments, using these results, as a means of model validation. Our study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.

  16. Direct reactions in inverse kinematics for nuclear structure studies far off stability at low incident energies

    International Nuclear Information System (INIS)

    Egelhof, P.

    1997-02-01

    The investigation of light-ion induced direct reactions with exotic beams in inverse kinematics gives access to a wide field of nuclear structure studies in the region far off stability. The present contribution will focus on the investigation of few-nucleon transfer reactions, which turn out to be most favourably studied with good-quality low-energy radioactive beams, as provided by the new generation of radioactive beam facilities presently planned or under construction at Caen, Grenoble, Munich, and elsewhere. An overview on the physics motivation, basically concerning nuclear structure and nuclear astrophysics questions, is given. Of particular interest are the nuclear shell model in the region far off stability, the two-body residual interaction in nuclei, the structure of halo nuclei, as well as the understanding of the r-process scenario. The experimental conditions, along with the experimental concept, for such measurements are discussed with particular emphasis on the kinematical conditions, the observables, as well as the appropriate detection schemes. The concept of a large solid angle TPC ionization chamber as an active target for experiments with low-energy radioactive beams is presented. It turns out to be a highly effective detection scheme, well suited for the present experimental conditions, at least for light exotic beams up to Z∼20. (orig.)

  17. Superhydrophobicity of biological and technical surfaces under moisture condensation: stability in relation to surface structure.

    Science.gov (United States)

    Mockenhaupt, Bernd; Ensikat, Hans-Jürgen; Spaeth, Manuel; Barthlott, Wilhelm

    2008-12-02

    The stability of superhydrophobic properties of eight plants and four technical surfaces in respect to water condensation has been compared. Contact and sliding angles were measured after application of water drops of ambient temperature (20 degrees C) onto cooled surfaces. Water evaporating from the drops condensed, due to the temperature difference between the drops and the surface, on the cooled samples, forming "satellite droplets" in the vicinity of the drops. Surface cooling to 15, 10, and 5 degrees C showed a gradual decrease of superhydrophobicity. The decrease was dependent on the specific surface architecture of the sample. The least decrease was found on hierarchically structured surfaces with a combination of a coarse microstructure and submicrometer-sized structures, similar to that of the Lotus leaf. Control experiments with glycerol droplets, which show no evaporation, and thus no condensation, were carried out to verify that the effects with water were caused by condensation from the drop (secondary condensation). Furthermore, the superhydrophobic properties after condensation on cooled surfaces from a humid environment for 10 min were examined. After this period, the surfaces were covered with spherical water droplets, but most samples retained their superhydrophobicity. Again, the best stability of the water-repellent properties was found on hierarchically structured surfaces similar to that of the Lotus leaf.

  18. Revisiting the electrochemical formation, stability and structure of radical and biradical anionic structures in dinitrobenzenes

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez-Munoz, Lindsay S.; Gonzalez, Felipe J. [Departamento de Quimica, Centro de Investigacion y Estudios Avanzados, Av. I.P.N. 2508. Col. San Pedro Zacatenco, 07360, D.F. (Mexico); Gonzalez, Ignacio [Departamento de Quimica, Universidad Autonoma Metropolitana-Iztapalapa, Area de Electroquimica, Apartado Postal 55-534, 09340, D.F. (Mexico); Goulart, Marilia O.F.; Abreu, Fabiane Caxico de; Ribeiro, Adriana Santos [Instituto de Quimica e Biotecnologia, Universidade Federal de Alagoas, Tabuleiro do Martins, Maceio, AL, 57072-970 (Brazil); Ribeiro, Rogerio Tavares; Longo, Ricardo L. [Departamento de Quimica Fundamental, Universidade Federal de Pernambuco, Av. Prof. Luiz Freire, s/n, Cid. Universitaria, Recife, PE, 50740-540 (Brazil); Navarro, Marcelo, E-mail: navarro@ufpe.b [Departamento de Quimica Fundamental, Universidade Federal de Pernambuco, Av. Prof. Luiz Freire, s/n, Cid. Universitaria, Recife, PE, 50740-540 (Brazil); Frontana, Carlos, E-mail: ultrabuho@yahoo.com.m [Departamento de Quimica, Centro de Investigacion y Estudios Avanzados, Av. I.P.N. 2508. Col. San Pedro Zacatenco, 07360, D.F. (Mexico)

    2010-11-30

    The effects of the position of a second nitroaromatic group (orthovs.paravs.meta) during reduction of nitrobenzenes were analysed. Cyclic voltammetric experiments in acetonitrile solution revealed that ortho-, meta- and para-dinitrobenzenes show two reversible reduction processes. An Electrochemical-Electron Spin Resonance (E-ESR) study showed that the corresponding radical anions of the ortho and para derivatives, electrogenerated during the first electron transfer uptake, remain the same even after the second monoelectronic process, increasing their intensity due to the presence of a comproportionation process (A{sup 2-} + A {yields} 2A{center_dot}{sup -}). For the case of the meta derivative, the electrogenerated radical anion at the first reduction peak is consumed at the second reduction step, forming a secondary radical species. During the electrochemical study of methyl 3,5-dinitrobenzoate, two successive and reversible electron processes were also observed; however, in this case, a very rare biradical dianion structure was found. The use of ESR-spectroelectrochemistry shed some light on controversial aspects of nitroaromatic reduction, especially concerning the second and further waves. These results were corroborated and interpreted with quantum chemical calculations of the molecular and electronic structures, electron affinities and spin densities. As a result, electrochemical mechanisms are presented and discussed.

  19. Revisiting the electrochemical formation, stability and structure of radical and biradical anionic structures in dinitrobenzenes

    International Nuclear Information System (INIS)

    Hernandez-Munoz, Lindsay S.; Gonzalez, Felipe J.; Gonzalez, Ignacio; Goulart, Marilia O.F.; Abreu, Fabiane Caxico de; Ribeiro, Adriana Santos; Ribeiro, Rogerio Tavares; Longo, Ricardo L.; Navarro, Marcelo; Frontana, Carlos

    2010-01-01

    The effects of the position of a second nitroaromatic group (orthovs.paravs.meta) during reduction of nitrobenzenes were analysed. Cyclic voltammetric experiments in acetonitrile solution revealed that ortho-, meta- and para-dinitrobenzenes show two reversible reduction processes. An Electrochemical-Electron Spin Resonance (E-ESR) study showed that the corresponding radical anions of the ortho and para derivatives, electrogenerated during the first electron transfer uptake, remain the same even after the second monoelectronic process, increasing their intensity due to the presence of a comproportionation process (A 2- + A → 2A· - ). For the case of the meta derivative, the electrogenerated radical anion at the first reduction peak is consumed at the second reduction step, forming a secondary radical species. During the electrochemical study of methyl 3,5-dinitrobenzoate, two successive and reversible electron processes were also observed; however, in this case, a very rare biradical dianion structure was found. The use of ESR-spectroelectrochemistry shed some light on controversial aspects of nitroaromatic reduction, especially concerning the second and further waves. These results were corroborated and interpreted with quantum chemical calculations of the molecular and electronic structures, electron affinities and spin densities. As a result, electrochemical mechanisms are presented and discussed.

  20. Analysis of the structural stability of the smectite submitted to high pressures and temperatures

    International Nuclear Information System (INIS)

    Alabarse, Frederico Gil

    2009-10-01

    The thermal stability of bentonite is of particular interest for containment barrier in nuclear waste disposal facilities. However, very little is known about the stability of smectite (principal component of bentonite) under high-pressure and high-temperature conditions (HPHT). The objective of this work was to investigate the stability of the smectite structure under HP-HT conditions. The HP-HT experiments were performed on toroidal chambers (TC) with pressure up 7.7 GPa and temperatures of 1000 deg C. The samples were characterized by X-ray diffraction after the HP-HT processing. Furthermore, one sample from the original material was analyzed using Fourier transformed infra-red (FTIR) in situ measurements on a diamond anvil cell (DAC) in experiments up to 12 GPa. The original sample of bentonite, calcium dioctahedral montmorillonite with small fraction of quartz, was characterized by FTIR, XRD, X-ray fluorescence (XRF), scanning electron microscopy (SEM), surface area, thermogravimetric analysis (TGA) and differential thermal analysis (DTA). In the experiment performed using the DAC up to 12 GPa, the FTIR in situ measurements analysis showed that the smectite structure is stable with a reversible deformation in the Si-O bond and that the smectite did not loose water. Experiments performed in TC at 7.7 GPa of pressure and 250 deg C of temperature, during 3.5 h showed, after analysis by XRD and FTIR, that the smectite structure is stable and did not loose water. Experiments performed in TC at 7.7 GPa of pressure and 1000 deg C of temperature, during 3.5 h showed, after analysis by XRD and SEM, the transformation of bentonite to the mineral assemblage: Coesite, Quartz, Kyanite and Pyrope. (author)

  1. Virial theorem analysis of the structure and stability of magnetized clouds

    International Nuclear Information System (INIS)

    Zweibel, E.G.

    1990-01-01

    The tensor virial theorem is used to analyze the structure and stability of self-gravitating, magnetized spheroids surrounded by a low-density medium with pressure and magnetic field. Analytical expressions are developed for the effect of a weak field and calculate critical states when the effect of the field is arbitrarily strong, comparing the results with full magnetohydrostatic calculations. This analysis suggests that a magnetic field may prevent gravitational collapse but may also be destabilizing, depending on its degree of concentration within the cloud. 34 refs

  2. Stability of cosmic structures in scalar-tensor theories of gravity

    Energy Technology Data Exchange (ETDEWEB)

    Panotopoulos, Grigoris [Universidade de Lisboa, Centro Multidisciplinar de Astrofisica, Instituto Superior Tecnico, Lisbon (Portugal); Rincon, Angel [Pontificia Universidad Catolica de Chile, Instituto de Fisica, Santiago (Chile)

    2018-01-15

    In the present work we study a concrete model of scalar-tensor theory of gravity characterized by two free parameters, and we compare its predictions to observational data and constraints coming from supernovae, solar system tests and the stability of cosmic structures. First an exact analytical solution at the background level is obtained. Using that solution the expression for the turnaround radius is computed. Finally we show graphically how current data and limits put bounds on the parameters of the model at hand. (orig.)

  3. Insights into the role of hydration in protein structure and stability obtained through hydrostatic pressure studies

    Directory of Open Access Journals (Sweden)

    C.A. Royer

    2005-08-01

    Full Text Available A thorough understanding of protein structure and stability requires that we elucidate the molecular basis for the effects of both temperature and pressure on protein conformational transitions. While temperature effects are relatively well understood and the change in heat capacity upon unfolding has been reasonably well parameterized, the state of understanding of pressure effects is much less advanced. Ultimately, a quantitative parameterization of the volume changes (at the basis of pressure effects accompanying protein conformational transitions will be required. The present report introduces a qualitative hypothesis based on available model compound data for the molecular basis of volume change upon protein unfolding and its dependence on temperature.

  4. An Enhanced Asymptotic Expansion for the Stability of Nonlinear Elastic Structures

    DEFF Research Database (Denmark)

    Christensen, Claus Dencker; Byskov, Esben

    2010-01-01

    A new, enhanced asymptotic expansion applicable to stability of structures made of nonlinear elastic materials is established. The method utilizes “hyperbolic” terms instead of the conventional polynomial terms, covers full kinematic nonlinearity and is applied to nonlinear elastic Euler columns...... with two different types of cross-section. Comparison with numerical results show that our expansion provides more accurate predictions of the behavior than usual expansions. The method is based on an extended version of the principle of virtual displacements that covers cases with auxiliary conditions...

  5. Structure of nuclei far from beta stability. Progress report, May 15, 1984-May 14, 1985

    International Nuclear Information System (INIS)

    Zganjar, E.F.

    1985-01-01

    The research at UNISOR constitutes the major effort of our work on far from stability nuclei. The extensive data from the UNISOR studies on the neutron-deficient Tl Hg, Au and Pt isotopes has not only established a new region of nuclear deformation and a new class of nuclear structure at closed shells, but, after full analysis, will ultimately transform our present understanding of shape coexistence. The experimental approach is to take great care to obtain accurate experimental information and then to take equally great care in its interpretation. Current research is described as well as experimental developments and theoretical developments

  6. Effects of lysine residues on structural characteristics and stability of tau proteins

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Myeongsang; Baek, Inchul; Choi, Hyunsung; Kim, Jae In; Na, Sungsoo, E-mail: nass@korea.ac.kr

    2015-10-23

    Pathological amyloid proteins have been implicated in neuro-degenerative diseases, specifically Alzheimer's, Parkinson's, Lewy-body diseases and prion related diseases. In prion related diseases, functional tau proteins can be transformed into pathological agents by environmental factors, including oxidative stress, inflammation, Aβ-mediated toxicity and covalent modification. These pathological agents are stable under physiological conditions and are not easily degraded. This un-degradable characteristic of tau proteins enables their utilization as functional materials to capturing the carbon dioxides. For the proper utilization of amyloid proteins as functional materials efficiently, a basic study regarding their structural characteristic is necessary. Here, we investigated the basic tau protein structure of wild-type (WT) and tau proteins with lysine residues mutation at glutamic residue (Q2K) on tau protein at atomistic scale. We also reported the size effect of both the WT and Q2K structures, which allowed us to identify the stability of those amyloid structures. - Highlights: • Lysine mutation effect alters the structure conformation and characteristic of tau. • Over the 15 layers both WT and Q2K models, both tau proteins undergo fractions. • Lysine mutation causes the increment of non-bonded energy and solvent accessible surface area. • Structural instability of Q2K model was proved by the number of hydrogen bonds analysis.

  7. Effects of lysine residues on structural characteristics and stability of tau proteins

    International Nuclear Information System (INIS)

    Lee, Myeongsang; Baek, Inchul; Choi, Hyunsung; Kim, Jae In; Na, Sungsoo

    2015-01-01

    Pathological amyloid proteins have been implicated in neuro-degenerative diseases, specifically Alzheimer's, Parkinson's, Lewy-body diseases and prion related diseases. In prion related diseases, functional tau proteins can be transformed into pathological agents by environmental factors, including oxidative stress, inflammation, Aβ-mediated toxicity and covalent modification. These pathological agents are stable under physiological conditions and are not easily degraded. This un-degradable characteristic of tau proteins enables their utilization as functional materials to capturing the carbon dioxides. For the proper utilization of amyloid proteins as functional materials efficiently, a basic study regarding their structural characteristic is necessary. Here, we investigated the basic tau protein structure of wild-type (WT) and tau proteins with lysine residues mutation at glutamic residue (Q2K) on tau protein at atomistic scale. We also reported the size effect of both the WT and Q2K structures, which allowed us to identify the stability of those amyloid structures. - Highlights: • Lysine mutation effect alters the structure conformation and characteristic of tau. • Over the 15 layers both WT and Q2K models, both tau proteins undergo fractions. • Lysine mutation causes the increment of non-bonded energy and solvent accessible surface area. • Structural instability of Q2K model was proved by the number of hydrogen bonds analysis.

  8. Study of structural stability and damaging effect on membrane for four Aβ42 dimers.

    Directory of Open Access Journals (Sweden)

    Wei Feng

    Full Text Available Increasing evidence shows that Aβ oligomers are key pathogenic molecules in Alzheimer's disease. Among Aβ oligomers, dimer is the smallest aggregate and toxic unit. Therefore, understanding its structural and dynamic properties is quite useful to prevent the formation and toxicity of the Aβ oligomers. In this study, we performed molecular dynamic simulations on four Aβ42 dimers, 2NCb, CNNC, NCNC and NCCN, within the hydrated DPPC membrane. Four Aβ42 dimers differ in the arrangements of two Aβ42 peptides. This study aims to investigate the impact of aggregation pattern of two Aβ peptides on the structural stability of the Aβ42 dimer and its disruption to the biological membrane. The MD results demonstrate that the NCCN, CNNC and NCNC have the larger structural fluctuation at the N-terminus of Aβ42 peptide, where the β-strand structure converts into the coil structure. The loss of the N-terminal β-strand further impairs the aggregate ability of Aβ42 dimer. In addition, inserting Aβ42 dimer into the membrane can considerably decrease the average APL of DPPC membrane. Moreover this decrease effect is largely dependent on the distance to the location of Aβ42 dimer and its secondary structure forms. Based on the results, the 2NCb is considered as a stable dimeric unit for aggregating the larger Aβ42 oligomer, and has a potent ability to disrupt the membrane.

  9. Insight into the structures and stabilities of Tc and Re DMSA complexes: A computational study

    International Nuclear Information System (INIS)

    Blanco González, Alejandro; Hernández Valdés, Daniel; García Fleitas, Ariel; Rodríguez Riera, Zalua; Jáuregui Haza, Ulises

    2016-01-01

    Meso-2,3-dimercaptosuccinic acid (DMSA) is used in nuclear medicine as ligand for preparation of radiopharmaceuticals for diagnostic and therapy. DMSA has been the subject of numerous investigations during the past three decades and new and significant information of the chemistry and pharmacology of DMSA complexes have emerged. In comparison to other ligands, the structure of some DMSA complexes is unclear up today. The structures and applications of DMSA complexes are strictly dependent on the chemical conditions of their preparation, especially pH and the ratio of components. A computational study of M-DMSA (M = Tc, Re) complexes has been performed using density functional theory. Different isomers for M(V) and M(III) complexes were study. The pH influence over ligand structures was taken into account and the solvent effect was evaluated using an implicit solvation model. The fully optimized complex syn-endo Re(V)-DMSA shows a geometry similar to the X-ray data and was used to validate the methodology. Moreover, new alternative structures for the renal agent 99mTc(III)-DMSA were proposed and computationally studied. For two complex structures, a larger stability respect to that proposed in the literature was obtained. Furthermore, Tc(V)-DMSA complexes are more stable than the Tc(III)-DMSA proposed structures. In general, Re complexes are more stables than the corresponding Tc ones. (author)

  10. Influence of protic ionic liquids on the structure and stability of succinylated Con A.

    Science.gov (United States)

    Attri, Pankaj; Venkatesu, Pannuru

    2012-01-01

    We report the synthesis of a series of ionic liquids (ILs) from various ions having different kosmotropicity including dihydrogen phosphate (H(2)PO(4)(-)), hydrogen sulfate (HSO(4)(-)) and acetate (CH(3)COO(-)) as anions and chaotropic cation such as trialkylammonium cation. To characterize the biomolecular interactions of ILs with protein, we have explored the stability of succinylated Con A (S Con A) in the presence of these aqueous ILs, which are varied combinations of kosmotropic anion with chaotropic cation such as triethylammonium dihydrogen phosphate [(CH(3)CH(2))(3)NH][H(2)PO(4)] (TEAP), trimethylammonium acetate [(CH(3))(3)NH][CH(3)COO] (TMAA), trimethylammonium dihydrogen phosphate [(CH(3))(3)NH][H(2)PO(4)] (TMAP) and trimethylammonium hydrogen sulfate [(CH(3))(3)NH][HSO(4)] (TMAS). Circular dichroism (CD) and fluorescence experiments have been used to characterize the stability of S Con A by ILs. Our data distinctly demonstrate that the long alkyl chain IL TEAP is a strong stabilizer for S Con A. Further, our experimental results reveal that TEAP is an effective refolding enhancer for S Con A from a thermally denatured protein structure. Copyright © 2012 Elsevier B.V. All rights reserved.

  11. Structural Stability and Performance of Noble Metal-Free SnO2-Based Gas Sensors

    Directory of Open Access Journals (Sweden)

    Antonio Tricoli

    2012-05-01

    Full Text Available The structural stability of pure SnO2 nanoparticles and highly sensitive SnO2-SiO2 nanocomposites (0–15 SiO2 wt% has been investigated for conditions relevant to their utilization as chemoresistive gas sensors. Thermal stabilization by SiO2 co-synthesis has been investigated at up to 600 °C determining regimes of crystal size stability as a function of SiO2-content. For operation up to 400 °C, thermally stable crystal sizes of ca. 24 and 11 nm were identified for SnO2 nanoparticles and 1.4 wt% SnO2-SiO2 nanocomposites, respectively. The effect of crystal growth during operation (TO = 320 °C on the sensor response to ethanol has been reported, revealing possible long-term destabilization mechanisms. In particular, crystal growth and sintering-neck formation were discussed with respect to their potential to change the sensor response and calibration. Furthermore, the effect of SiO2 cosynthesis on the cross-sensitivity to humidity of these noble metal-free SnO2-based gas sensors was assessed.

  12. Analysis of eddy current loss in high-Tc superconducting power cables with respect to various structure of stabilizer

    International Nuclear Information System (INIS)

    Choi, S. J.; Song, M. K.; Lee, S. J.; Cho, J. W.; Sim, K. D.

    2005-01-01

    The High-Tc superconducting power cable consists of a multi-layer high-Tc superconducting cable core and a stabilizer which is used to bypass the current at fault time. Eddy current loss is generated in the stabilizer in normal operating condition and affects the whole system. In this paper, the eddy current losses are analyzed with respect to various structure of stabilizer by using opera-3d. Moreover, optimal conditions of the stabilizer are derived to minimize the eddy current losses from the analyzed results. The obtained results could be applied to the design and manufacture of the high-Tc superconducting power cable system.

  13. Valence electron structure and properties of stabilized ZrO2

    Institute of Scientific and Technical Information of China (English)

    LI JinPing; HAN JieOai; MENG SongHe; ZHANG XingHong

    2008-01-01

    To reveal the properties of stabilizers in ZrO2 on nanoscopic levels,the valence elec-tron structures of four stable ZrO2 phases and c-ZrO2 were analyzed on the basis of the empirical electron theory of solids and molecules.The results showed that the hybridization levels of Zr atoms in c-ZrO2 doped with Ca and Mg dropped from B17 to B13,the hybridization levels of Zr atoms in c-ZrO2 doped with Y and Ce dropped from B17 to B15,and that the four stabilizing atoms all made the hybridization levels of O atoms drop from level 4 to level 2.The numbers of covalent electrons in the strongest covalent bond in the descending order are c-ZrO2>ZrCeO2>ZrYOZrMgO>ZrCaO.The bond energies of the strongest covalent bond and the melting points of the solid solutions in the descending order are ZrCeO2>c-ZrO2>ZrYO>ZrMgO>ZrCaO.The percent-ages of the total number of covalent electrons in the descending order arec-ZrO2>ZrYO> ZrCeO2>ZrMgO> ZrCaO.From the above analysis,it can be concluded that the stabilizing degrees of the four stabilizers in the descending order are CaO> MgO>Y2O3>CeO2.

  14. Structure, stability and mobility of point defects in hexagonal close packed zirconium: an ab initio study

    International Nuclear Information System (INIS)

    Verite, G.

    2007-09-01

    This research aims at determining, by means of DFT (density functional theory) electronic structure computations, the structure, the stability, and the mobility of isolated point defects, lack defects, auto-interstitial defects, or small aggregate defects in the compact hexagonal zirconium (hc Zr). After a literature survey on the studied materials and a review of computer simulation methods in material science, the author presents and comments the available results from experiments or simulations on point defects in hc Zr. He presents the growth phenomenon under radiation. Then, he briefly described the computing techniques used in this study, reports the determination of the network parameters and elastic constants of each material. He reports and comments the results obtained with the SIESTA code and with a Monte Carlo kinetic simulation. The different types of defects are investigated

  15. Stability, electrochemical behaviors and electronic structures of iron hydroxyl-phosphate

    International Nuclear Information System (INIS)

    Wang Zhongli; Sun Shaorui; Li Fan; Chen Ge; Xia Dingguo; Zhao Ting; Chu Wangsheng; Wu Ziyu

    2010-01-01

    Iron hydroxyl-phosphate with a uniform spherical particle size of around 1 μm, a compound of the type Fe 2-y □ y (PO 4 )(OH) 3-3y (H 2 O) 3y-2 (where □ represents a vacancy), has been synthesized by hydrothermal methods. The particles are composed of spheres of diameter -1 and 120 mAh g -1 at current densities of 170 mA g -1 and 680 mA g -1 , respectively. The stability of crystal structure of this material was studied by TGA and XRD which show that the material remains stable at least up to the temperature 200 deg. C. Investigation of the electronic structure of the iron hydroxyl-phosphate by GGA + U calculation has indicated that it has a better electronic conductivity than LiFePO 4 .

  16. Importance of interlayer H bonding structure to the stability of layered minerals

    Energy Technology Data Exchange (ETDEWEB)

    Conroy, Michele; Soltis, Jennifer A.; Wittman, Rick S.; Smith, Frances N.; Chatterjee, Sayandev; Zhang, Xin; Ilton, Eugene S.; Buck, Edgar C.

    2017-10-16

    The exact atomic structures of layered minerals have been difficult to characterize because the layers often possess out-of-plane hydrogen atoms that cannot be detected by many analytical techniques. However, the ordering of these bonds are thought to play a fundamental role in the structural stability and solubility of layered minerals. We report a new strategy of using the intense radiation field of a focused electron beam to probe the effect of differences in hydrogen bonding networks on mineral solubility while simultaneously imaging the dissolution behavior in real time via liquid cell electron microscopy. We show the loss in hydrogens from interlayers of boehmite (γ-AlOOH) resulted in 2D nanosheets exfoliating from the bulk that subsequently and rapidly dissolved. However gibbsite (γ-Al(OH)3), with its higher concentration of OH terminating groups, was more accommodating to the deprotonation and stable under the beam.

  17. Stability and electronic structure of superlattices (IIIV)n/(IV2)n

    International Nuclear Information System (INIS)

    Casagrande, D.; Ferraz, A.C.

    1996-01-01

    Theoretical investigations of atomic relaxation and electronic states have been made for ultrathin superlattices (GaP) n /(Ge 2 ) n , (GaP) n /(Si 2 ) n , (In P) n /(Ge 2 ) n and (In P) n /(Si 2 ) n with period n ≤ 3 in growth directions (001) and (110). The calculations were performed within the momentum-space formalism of the self-consistent ab-initio pseudopotential method and the molecular dynamics approach as proposed by Car and Parrinello. The structures were found to be unstable with respect to the phase separation into the constituent bulk materials. The results for the enthalpy show a metastability as increasing the superlattice period n. The density of nonoctet wrong-bonds play an important role to determine the stability of the structures. (author). 13 refs., 2 figs., 3 tabs

  18. Implicit leadership theories in applied settings: factor structure, generalizability, and stability over time.

    Science.gov (United States)

    Epitropaki, Olga; Martin, Robin

    2004-04-01

    The present empirical investigation had a 3-fold purpose: (a) to cross-validate L. R. Offermann, J. K. Kennedy, and P. W. Wirtz's (1994) scale of Implicit Leadership Theories (ILTs) in several organizational settings and to further provide a shorter scale of ILTs in organizations; (b) to assess the generalizability of ILTs across different employee groups, and (c) to evaluate ILTs' change over time. Two independent samples were used for the scale validation (N1 = 500 and N2 = 439). A 6-factor structure (Sensitivity, Intelligence, Dedication, Dynamism, Tyranny, and Masculinity) was found to most accurately represent ELTs in organizational settings. Regarding the generalizability of ILTs, although the 6-factor structure was consistent across different employee groups, there was only partial support for total factorial invariance. Finally, evaluation of gamma, beta, and alpha change provided support for ILTs' stability over time.

  19. Structure and stability of M6N8 clusters (M = Si, Ge, Sn, Ti).

    Science.gov (United States)

    Davydova, Elena I; Timoshkin, Alexey Y; Frenking, Gernot

    2010-06-10

    The structures and stabilities of the M(6)N(8) clusters (M = Si, Ge, Sn, Ti) have been theoretically studied at DFT and ab initio levels of theory. Two new isomers have been considered: cage-like molecules and propeller-like molecules. It is shown that only for M = Si are both isomers true minima on the potential energy surface. The thermodynamics of the dissociation process (1/6)M(6)N(8) --> (1/3)M(3)N(4) is discussed. For each M(3)N(4) molecule, four structures with different multiplicity are considered. The thermodynamic analysis shows that independently of the multiplicity of M(3)N(4) nitrides all M(6)N(8) clusters are stable in the gas phase in a wide temperature range and could be potential intermediates in chemical vapor deposition of the nitride materials.

  20. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

    KAUST Repository

    Noh, Jung Hyun

    2015-08-04

    We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.

  1. Structural aspects of magnetic fluid stabilization in aqueous agarose solutions

    Energy Technology Data Exchange (ETDEWEB)

    Nagornyi, A.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Taras Shevchenko National University of Kyiv, Kyiv (Ukraine); Petrenko, V.I., E-mail: vip@nf.jinr.ru [Joint Institute for Nuclear Research, Dubna (Russian Federation); Taras Shevchenko National University of Kyiv, Kyiv (Ukraine); Avdeev, M.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Yelenich, O.V.; Solopan, S.O.; Belous, A.G. [V.I.Vernadsky Institute of General and Inorganic Chemistry of the Ukrainian NAS, Kyiv (Ukraine); Gruzinov, A.Yu. [National Research Centre “Kurchatov Institute”, Moscow (Russian Federation); Ivankov, O.I. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Institute for Safety Problems of Nuclear Power Plants of the Ukrainian NAS, Kyiv (Ukraine); Bulavin, L.A. [Taras Shevchenko National University of Kyiv, Kyiv (Ukraine); Institute for Safety Problems of Nuclear Power Plants of the Ukrainian NAS, Kyiv (Ukraine)

    2017-06-01

    Structure characterization of magnetic fluids (MFs) synthesized by three different methods in aqueous solutions of agarose was done by means of small-angle neutron (SANS) and synchrotron X-ray scattering (SAXS). The differences in the complex aggregation observed in the studied magnetic fluids were related to different stabilizing procedures of the three kinds of MFs. The results of the analysis of the scattering (mean size of single polydisperse magnetic particles, fractal dimensions of the aggregates) are consistent with the data of transmission electron microscopy (TEM). - Highlights: • MFs synthesized by three different methods in agarose solution were studied. • all MFs are agglomerated colloidal systems whose structures are nevertheless stable in time. • differences in the complex aggregation were observed in the studied magnetic fluids. • results of the SAXS and SANS analysis are consistent with TEM data.

  2. Felder-Soloman's Index of Learning Styles: internal consistency, temporal stability, and factor structure.

    Science.gov (United States)

    Hosford, Charles C; Siders, William A

    2010-10-01

    Strategies to facilitate learning include using knowledge of students' learning style preferences to inform students and their teachers. Aims of this study were to evaluate the factor structure, internal consistency, and temporal stability of medical student responses to the Index of Learning Styles (ILS) and determine its appropriateness as an instrument for medical education. The ILS assesses preferences on four dimensions: sensing/intuitive information perceiving, visual/verbal information receiving, active/reflective information processing, and sequential/global information understanding. Students entering the 2002-2007 classes completed the ILS; some completed the ILS again after 2 and 4 years. Analyses of responses supported the ILS's intended structure and moderate reliability. Students had moderate preferences for sensing and visual learning. This study provides evidence supporting the appropriateness of the ILS for assessing learning style preferences in medical students.

  3. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

    KAUST Repository

    Noh, Jung Hyun; Osman, Osman I; Aziz, Saadullah G.; Winget, Paul; Bredas, Jean-Luc

    2015-01-01

    We present a comprehensive investigation, via first-principles density functional theory (DFT) calculations, of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide which has also a number of applications in electronics and spintronics. We compare the thermodynamic stability and electronic structure among the different surfaces terminations. Interestingly, we find that surfaces modified with point defects and adatoms can be more stable than bulk-like terminations. These surfaces show different surface chemistry, electronic structures and distinctive spin polarization features near the Fermi level from those previously considered in the literature. Our studies provide an atomic level insight for magnetite surfaces, which is a necessary step to understanding their interfaces with organic layers in OLED and spintronic devices.

  4. Structure, stability, and thermodynamics of a short intermolecular purine-purine-pyrimidine triple helix

    International Nuclear Information System (INIS)

    Pilch, D.S.; Shafer, R.H.; Levenson, C.

    1991-01-01

    The authors have investigated the structure and physical chemistry of the d(C 3 T 4 C 3 )·2[d(G 3 A 4 G 3 )] triple helix by polyacrylamide gel electrophoresis (PAGE), 1 H NMR, and ultraviolet (UV) absorption spectroscopy. The triplex was stabilized with MgCl 2 at neutral pH. PAGE studies verify the stoichiometry of the strands comprising the triplex and indicate that the orientation of the third strand in purine-purine-pyrimidine (pur-pur-pyr) triplexes is antiparallel with respect to the purine strand of the underlying duplex. Imino proton NMR spectra provide evidence for the existence of new purine-purine (pur·pur) hydrogen bonds, in addition to those of the Watson-Crick (W-C) base pairs, in the triplex structure. These new hydrogen bonds are likely to correspond to the interaction between third-strand guanine NH1 imino protons and the N7 atoms of guanine residues on the puring strand of the underlying duplex. Thermal denaturation of the triplex proceeds to single strands in one step, under the conditions used in this study. Binding of the third strand appears to enhance the thermal stability of the duplex by 1-3 C, depending on the DNA concentration. This marked enhancement in stability, coupled with the lack of an acidic pH requirement, suggests that pur-pur-pyr triplexes are appealing choices for use in applications involving oligonucleotide targeting of duplex DNA in vitro and in vivo

  5. Structure and stability of semiconductor tip apexes for atomic force microscopy

    International Nuclear Information System (INIS)

    Pou, P; Perez, R; Ghasemi, S A; Goedecker, S; Jelinek, P; Lenosky, T

    2009-01-01

    The short range force between the tip and the surface atoms, that is responsible for atomic-scale contrast in atomic force microscopy (AFM), is mainly controlled by the tip apex. Thus, the ability to image, manipulate and chemically identify single atoms in semiconductor surfaces is ultimately determined by the apex structure and its composition. Here we present a detailed and systematic study of the most common structures that can be expected at the apex of the Si tips used in experiments. We tackle the determination of the structure and stability of Si tips with three different approaches: (i) first principles simulations of small tip apexes; (ii) simulated annealing of a Si cluster; and (iii) a minima hopping study of large Si tips. We have probed the tip apexes by making atomic contacts between the tips and then compared force-distance curves with the experimental short range forces obtained with dynamic force spectroscopy. The main conclusion is that although there are multiple stable solutions for the atomically sharp tip apexes, they can be grouped into a few types with characteristic atomic structures and properties. We also show that the structure of the last atomic layers in a tip apex can be both crystalline and amorphous. We corroborate that the atomically sharp tips are thermodynamically stable and that the tip-surface interaction helps to produce the atomic protrusion needed to get atomic resolution.

  6. Structural stability, electronic, mechanical and superconducting properties of CrC and MoC

    Energy Technology Data Exchange (ETDEWEB)

    Kavitha, M.; Sudha Priyanga, G. [Department of Physics, N.M.S.S.V.N College, Madurai 625019, Tamilnadu (India); Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com [Department of Physics, N.M.S.S.V.N College, Madurai 625019, Tamilnadu (India); Iyakutti, K. [Department of Physics and Nanotechnology, SRM University, Chennai 603203, Tamilnadu (India)

    2016-02-01

    The structural, electronic, mechanical and superconducting properties of chromium carbide (CrC) and molybdenum carbide (MoC) are investigated using first principles calculations based on density functional theory (DFT). The computed ground state properties like equilibrium lattice constants and cell volume are in good agreement with available theoretical and experimental data. A pressure induced structural phase transition from tungsten carbide phase (WC) to zinc blende phase (ZB) and then zinc blende phase (ZB) to nickel arsenide phase (NiAs) are observed in both chromium and molybdenum carbides. Electronic structure reveals that these carbides are metallic at ambient condition. All the calculated elastic constants obey the Born–Huang stability criteria, suggesting that they are mechanically stable at normal and high pressure. The super conducting transition temperatures for CrC and MoC in WC phase are found to be 31.12 K and 17.14 K respectively at normal pressure. - Highlights: • Electronic and mechanical properties of CrC and MoC are investigated. • Pressure induced structural phase transition is predicted at high pressure. • Electronic structure reveals that these materials exhibit metallic behaviour. • Debye temperature values are computed for CrC and MoC. • Superconducting transition temperature values are computed.

  7. Erosional stability of rehabilitated uranium mine structures incorporating natural landform characteristics, northern tropical Australia

    International Nuclear Information System (INIS)

    East, T.J.; Uren, C.J.; Noller, B.N.; Cull, R.F.; Curley, P.M.; Unger, C.J.

    1994-01-01

    Australian Government guidelines specify that tailings containment structures at rehabilitated uranium mines in the Alligator Rivers Region of tropical northern Australia should have an engineered structural life of 1000 years. As part of the containment structure design process, erosion plots incorporating both regional geomorphological characteristics (concave hillslope profiles and a weathering-resistant rock cover of schist) and more conventional engineering design parameters (straight slopes and mine waste rock) were constructed at the Ranger Uranium Mine. The plots were monitored for storm runoff, and concentrations of solutes, suspended solids and selected ions over successive wet seasons. The concave slopes (the hillslope analogues) had lower peak discharges and lower concentrations of suspended solids than the straight slopes. However, solute concentrations in runoff from the schist covered (hillslope) slopes were higher than from the waste rock covered plots. Solute (mainly magnesium sulfate) concentrations for both rock types decreased by about an order of magnitude over the wet season. High sulfate concentrations are also likely to decrease substantially after several wet seasons, due to settlement of the waste rock and a reduction in rates of weathering. Development of a vegetation cover on the rehabilitated landforms will reduce the high suspended sediment concentrations. These initial results suggest that rehabilitated uranium mine structures which utilise selected features of stable natural landforms in their design may have greater erosional stability than more conventionally engineered structures. (orig.)

  8. Black Carbon (Biochar) In Water/Soil Environments: Molecular Structure, Sorption, Stability, and Potential Risk.

    Science.gov (United States)

    Lian, Fei; Xing, Baoshan

    2017-12-05

    Black carbon (BC) is ubiquitous in the environments and participates in various biogeochemical processes. Both positive and negative effects of BC (especially biochar) on the ecosystem have been identified, which are mainly derived from its diverse physicochemical properties. Nevertheless, few studies systematically examined the linkage between the evolution of BC molecular structure with the resulted BC properties, environmental functions as well as potential risk, which is critical for understanding the BC environmental behavior and utilization as a multifunctional product. Thus, this review highlights the molecular structure evolution of BC during pyrolysis and the impact of BC physicochemical properties on its sorption behavior, stability, and potential risk in terrestrial and aqueous ecosystems. Given the wide application of BC and its important role in biogeochemical processes, future research should focus on the following: (1) establishing methodology to more precisely predict and design BC properties on the basis of pyrolysis and phase transformation of biomass; (2) developing an assessment system to evaluate the long-term effect of BC on stabilization and bioavailability of contaminants, agrochemicals, and nutrient elements in soils; and (3) elucidating the interaction mechanisms of BC with plant roots, microorganisms, and soil components.

  9. Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Kabir, L.; Mandal, A.R. [Department of Physics, Visva-Bharati, Santiniketan-731 235 (India); Mandal, S.K., E-mail: sk_mandal@hotmail.co [Department of Physics, Visva-Bharati, Santiniketan-731 235 (India)

    2010-04-15

    We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni{sup 2+} clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni{sup 2+} clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

  10. Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

    Science.gov (United States)

    Kabir, L.; Mandal, A. R.; Mandal, S. K.

    2010-04-01

    We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni 2+ clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni 2+ clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

  11. Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

    International Nuclear Information System (INIS)

    Kabir, L.; Mandal, A.R.; Mandal, S.K.

    2010-01-01

    We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni 2+ clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni 2+ clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

  12. Stability study of MMC tubes and advanced assemblies for telescope structures

    Science.gov (United States)

    Nivet-Lutz, Martine; Pommatau, Gilles

    2017-11-01

    This paper presents new advances concerning the development of an Aluminum Matrix Composite for dimensionally stable satellite structures. Feasibility of thermally stable thin-walled tubes have been acquired through microstructure observation and Coefficient of Thermal Expansion measurement. In order to fit the thermo-mechanical stability domain of tubes on specifications, 3 thermal cycles have been tested, regarding to relaxation of internal stress and changes in macroscopic thermo-mechanical properties. Experimental expansion curves and microstructure observation show that thermal treatments permitts such a good fitting. For a better understanding of physical internal phenomena, internal stress has been measured by neutron diffraction on tube samples after each thermal treatment. Results show a significant decrease of stress due to cycling in cold temperature. In order to decrease the absolute value of CTE of assemblies, a new concept of thermo-mechanical stable linkage has been developped, which consists in a common alumlinum infiltration of superposed carbon preforms. Structural bonding, which usually affects stability properties and impose surface treatments and polymerization, can so be avoided. The study has been achieved through CNES (Centre National d'Etudes Spatiales) and French Ministry of Defense (DGA) supports.

  13. Effect of dysprosia doping on structural and electrical property of stabilized zirconia for intermediate- temperature SOFCs

    International Nuclear Information System (INIS)

    Pastor, M.; Maiti, S.; Pandey, A.; Biswas, K.; Manna, I.

    2011-01-01

    Present work deals with structural, micro-structural and electrical properties of dysprosia stabilized zirconia electrolyte, which have been evaluated by means of X-ray diffraction (XRD) and scanning (SEM), and complex impedance analysis respectively. The amount of dysprosia was varied from 2 to 12 mol% in zirconia. The addition of dysprosia (8-12 mol%) stabilized the cubic zirconia phase, which was analyzed from XRD analysis. SEM micrographs clearly showed the improvement in sinterability with increase in dysprosia concentration up to 6 mol% disprosia. Complex impedance analysis was performed in the temperature range from 250 to 600 deg. C. The results indicated a gradual decrease in impedance of both bulk and grain boundary and increase in conductivity with dysprosia doping up to 6 mol% and thereafter showing a reverse trend. The activation energies for oxygen ion migration were also found to decrease with increase in dysprosia doping which was in the range of 0.99 - 1.28 eV. The average thermal expansion coefficient increases linearly.

  14. Stabilization of Si_60 Cage Structure: The Agony and the Ecstasy

    Science.gov (United States)

    Kawazoe, Y.; Sun, Q.; Wang, Q.; Rao, B. K.; Jena, P.

    2003-03-01

    The unique role of silicon in the micro-electronics industry has motivated many researchers to find ways to stabilize Si_60 with fullerene structure. In spite of numerous experimental attempts, synthesis of a theoretically predicted C_60-supported Si_60 cluster (C_60@Si_60) has not been possible. Using a state-of-the-art theoretical method, we provide the first answer for this long-standing contradiction between the experimental observation and the theoretical prediction. The flaws in earlier theoretical works are pointed out, and Si_60 is shown to be unstable in the fullerene structure either on its own or when supported on a C_60 fullerene (C_60@Si_60). On the other hand, we show that Si_60 cage can be stabilized by using magic clusters such as Al_12X (X = Si, Ge, Sn, Pb) as endohedral units, which have been identified in recent experiment as stable clusters and as suitable building blocks for cluster-assembled materials.

  15. Structure, stability, and thermomechanical properties of Ca-substituted Pr2NiO4 + δ

    Science.gov (United States)

    Pikalova, E. Yu.; Medvedev, D. A.; Khasanov, A. F.

    2017-04-01

    Ca-substituted layered nickelates with a general Pr2- x Ca x NiO4 + δ composition ( x = 0-0.7, Δ x = 0.1) were prepared in the present work and their structural and physic-chemical properties were investigated in order to select the most optimal materials, which can be used as cathodes for solid oxide fuel cells. With an increase in Ca content in Pr2- x Ca x NiO4 + δ the following tendencies were observed: (i) a decrease in the concentration of nonstoichiometric oxygen (δ), (ii) a decrease in the unit cell parameters and volume, (iii) stabilization of the tetragonal structure, (iv) a decrease of the thermal expansion coefficients, and (v) enchancement of thermodynamic stability and compatibility with selected oxygen- and proton-conducting electrolytes. The Pr1.9Ca0.1NiO4 + δ material, having highest δ value, departs from the general "properties-composition" dependences ascertained. This indicates that oxygen non-stoichiometry has determining influence on the functional properties of layered nickelates.

  16. Structure and stability of defective silicene on Ag(001) and Ag(111) substrates: A computer experiment

    Science.gov (United States)

    Galashev, A. E.; Ivanichkina, K. A.; Vorob'ev, A. S.; Rakhmanova, O. R.

    2017-06-01

    The structure and stability of a two-layer defective silicene on Ag(001) and Ag(111) substrates have been investigated using the molecular dynamics method. The transformation of the radial distribution function of silicene due to the formation of monovacancies, divacancies, trivacancies, and hexavacancies is reduced primarily to a decrease in the intensity of the peaks and the disappearance of the "shoulder" in the second peak. With the passage of time, multivacancies can undergo coalescence with each other and the fragmentation into smaller vacancies, as well as form vacancy clusters. According to the geometric criterion, the Ag(001) substrate provides a higher stability of a perfect two-layer silicene. It has been found, however, that the defective silicene on this substrate has a lower energy only when it contains monovacancies and divacancies. A change in the size of defects leads to a change in the energy priority when choosing between the Ag(001) and Ag(111) substrates. The motion of a lithium ion inside an extended channel between two silicene sheets results in a further disordering of the defective structure of the silicene, during which the strongest stresses in the silicene are generated by forces directed perpendicular to the external electric field. These forces dominate in the silicene channel, the wall of which is supported by the Ag(001) or Ag(111) substrate.

  17. Experiment and Simulation of Autoignition in Jet Flames and its Relevance to Flame Stabilization and Structure

    KAUST Repository

    Al-Noman, Saeed M.

    2016-06-01

    Autoignition characteristics of pre-vaporized iso-octane, primary reference fuels, gasolines, and dimethyl ether (DME) have been investigated experimentally in a coflow with elevated temperature of air. With the coflow air at relatively low initial temperatures below autoignition temperature Tauto, an external ignition source was required to stabilize the flame. Non-autoignited lifted flames had tribrachial edge structures and their liftoff heights correlated well with the jet velocity scaled by the stoichiometric laminar burning velocity, indicating the importance of the edge propagation speed on flame stabilization balanced with local flow velocity. At high initial temperatures over Tauto, the autoignited flames were stabilized without requiring an external ignition source. The autoignited lifted flames exhibited either tribrachial edge structures or Mild combustion behaviors depending on the level of fuel dilution. For the iso-octane and n-heptane fuels, two distinct transition behaviors were observed in the autoignition regime from a nozzle-attached flame to a lifted tribrachial-edge flame and then a sudden transition to lifted Mild combustion as the jet velocity increased at a certain fuel dilution level. The liftoff data of the autoignited flames with tribrachial edges were analyzed based on calculated ignition delay times for the pre-vaporized fuels. Analysis of the experimental data suggested that ignition delay time may be much less sensitive to initial temperature under atmospheric pressure conditions as compared with predictions. For the gasoline fuels for advanced combustion engines (FACEs), and primary reference fuels (PRFs), autoignited liftoff data were correlated with Research Octane Number and Cetane Number. For the DME fuel, planar laser-induced fluorescence (PLIF) of formaldehyde (CH2O) and CH* chemiluminescence were visualized qualitatively. In the autoignition regime for both tribrachial structure and mild combustion, formaldehyde were found

  18. Formation and thermodynamic stability of (polymer + porphyrin) supramolecular structures in aqueous solutions

    International Nuclear Information System (INIS)

    Costa, Viviana C.P. da; Hwang, Barrington J.; Eggen, Spencer E.; Wallace, Megan J.; Annunziata, Onofrio

    2014-01-01

    Highlights: • Thermodynamic stability of a (polymer + porphyrin) supramolecular structure was characterized. • Isothermal titration calorimetry provided two ways to determine reaction enthalpies. • Exothermic (polymer + porphyrin) binding competes with porphyrin self-association. • (Polymer + porphyrin) binding is entropically favored with respect to porphyrin self-association. • Spectral shifts show importance of porphyrin central hydrogens in polymer binding. - Abstract: Optical properties of porphyrins can be tuned through (polymer + porphyrin) (host + guest) binding in solution. This gives rise to the formation of supramolecular structures. In this paper, the formation, thermodynamic stability and spectroscopic properties of (polymer + porphyrin) supramolecular structures and their competition with porphyrin self-association were investigated by both isothermal titration calorimetry (ITC) and absorption spectroscopy. Specifically, reaction enthalpies and equilibrium constants were measured for meso-tetrakis(4-sulfonatophenyl) porphyrin (TPPS) self-association and TPPS binding to the polymer poly(vinylpyrrolidone) (PVP, 40 kg/mol) in aqueous solutions at pH 7 and three different temperatures (12, 25 and 37 °C). ITC, compared to spectroscopic techniques, provides two independent means to determine reaction enthalpies: direct measurements and Van’t Hoff plot. This was used as a criterion to assess that (1) self-association of TPPS is limited to the formation of dimers and (2) TPPS binds to PVP in its monomeric state only. The formation of TPPS dimers and (PVP + TPPS) supramolecular structures are both enthalpically driven. However, (polymer + porphyrin) binding was found to be entropically favored compared to dimerization. Furthermore, the reaction enthalpies of these two processes significantly depend on temperature. This behavior was attributed to hydrophobic interactions. Finally, the limiting absorption spectra of monomeric, dimeric and polymer

  19. Stability analysis and structural rules of titanium dioxide clusters (TiO2)n with n = 1-9

    International Nuclear Information System (INIS)

    Zhang Weiwei; Han Ye; Yao Shuyu; Sun Haiqing

    2011-01-01

    Highlights: · We investigated the structure and stability of (TiO 2 ) n clusters with n = 1-9. · Some initial structures are introduced and proved to be the real global minimum. · We summarized the structural rules for small (TiO 2 ) n clusters. · The bonding features for the energy increment or decrement of the clusters are investigated. · A general shift of stability and reactivity with size for (TiO 2 ) n clusters. - Abstract: Atomic clusters have been considered as models for fundamental mechanistic insight into complex surfaces and catalysts. The structure and stability of (TiO 2 ) n clusters with n = 1-9 are investigated using the b3lyp hybrid density functional method in this paper. Some of the clusters are proposed initially and proved to be the real global minima. The stability and band gap of the clusters as a function of size are also investigated. The structural rules of the clusters are first summarized. The lowest-lying (TiO 2 ) n isomers tend to form some compact rather than quasi-linear or circular structures. The oxygen atom in 4-fold coordination and the titanium atom in 4-fold coordination favor the cluster stability. The 5-fold coordinated Ti-atom, the Ti-Ti bond and the terminal Ti-O bond lead to stability penalty for the clusters. No evidence for a regular variation in stability or reactivity with size of the clusters has shown. The structural rules can serve as guiding factors for formation research and structure design of (TiO 2 ) n and other transition metal oxide clusters.

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

    International Nuclear Information System (INIS)

    Hasegawa, M.; Soda, K.; Sato, H.; Suzuki, T.; Taketomi, T.; Takeuchi, T.; Kato, H.; Mizutani, U.

    2007-01-01

    The electronic structure of the Zr-based metallic glasses has been investigated by theoretical and experimental approaches. One approach is band calculations of the Zr 2 Ni (Zr 66.7 Ni 33.3 ) compound to investigate the electronic structure of the Zr 66.7 Ni 33.3 metallic glass (ΔT x = 0 K) of which the local atomic structure is similar to that of the Zr 2 Ni compound. The other is photoemission spectroscopy of the Zr 50 Cu 35 Al 15 bulk metallic glass (BMG) (ΔT x = 69 K). Here ΔT x = T x - T g where T x and T g are crystallization and glass transition temperature, respectively. Both results and previous ones on the Zr 55 Cu 30 Ni 5 Al 10 BMG indicate that there is a pseudogap at the Fermi level in the electronic structure of these Zr-based metallic glasses, independent of the value of the ΔT x . This implies that the pseudogap at the Fermi level is one of the factors that stabilize the glass phase of Zr-based metallic glasses

  1. First-principle study of structure and stability of nickel carbides

    Energy Technology Data Exchange (ETDEWEB)

    Gibson, Josh S; Uddin, Jamal; Cundari, Thomas R; Bodiford, Nelli K; Wilson, Angela K [Center for Advanced Scientific Computing and Modeling, University of North Texas, Denton, TX 76203 (United States); Department of Chemistry, University of North Texas, 1155 Union Circle 305070, Denton, TX 76203 (United States)

    2010-10-10

    Computational studies of nickel carbides, particularly Ni{sub 2}C, are scarce. A systematic density functional theory study is reported for Ni{sub 2}C, along with NiC and Ni{sub 3}C, to understand the stability and electronic structure of nickel carbides of varying stoichiometry. A comprehensive study was executed that involved 28 trial structures of varying space group symmetry for Ni{sub 2}C. An analysis of the electronic structure, geometry and thermodynamics of Ni{sub 2}C is performed, and compared with that for Ni{sub 3}C and NiC as well as several defect structures of varying composition. It is found that the most stable ground state arrangement of Ni{sub 2}C exists within a simple orthorhombic lattice and that it has metallic character. The calculated formation energies (kcal mol{sup -1}) of NiC, Ni{sub 2}C, and Ni{sub 3}C are 48.6, 7.9 and 6.4, respectively.

  2. Stability and dynamics of spatio-temporal structures. Progress report, September 15, 1993--September 14, 1994

    Energy Technology Data Exchange (ETDEWEB)

    Riecke, H.

    1994-05-01

    Goal is to contribute to understanding of localized spatial and spatio-temporal structures far from thermodynamic equilibrium. Here we report on our progress in the study of three classes of systems. (1) We have studied cellular flame structures arising in a circular burner. Using numerical computations we have found a number of traveling-wave structures in which different cells undergo different motion. Most strikingly, we have found a localized wave traveling through the array of steady cells. Results are interpreted using various asymptotic approaches. They are in qualitative agreement with recent experiments. (2) We have continued our investigation of localized waves in binary-mixture convection. Starting from the extended Ginzburg-Landau equations introduced earlier, we have derived equations of motion for interacting fronts connecting the conductive and the convective state. These equations reveal a repulsive interaction between the fronts which implies a new localization mechanism for waves. It is solely due to the long-wavelength mode specific to the extended Ginzburg-Landau equations. The stability properties of the resulting localized waves are in qualitative agreement with very recent experiments. (3) We have extended our investigation of domain structures to include their temporal evolution.

  3. An engineering approach for examining crack growth and stability in flawed structures

    International Nuclear Information System (INIS)

    Shih, C.F.; German, M.D.; Kumar, V.

    1981-01-01

    Progress made in two research programmes, sponsored by the Electric Power Research Institute (EPRI), to identify viable parameters for characterising crack initiation and continued extension are summarised. An engineering/design methodology, based on these parameters, for the assessment of crack growth and instability in engineering structures which are stressed beyond the regime of applicability of linear elastic fracture mechanics is developed. The ultimate goal in the development of such a methodology is to establish an improved basis for analysing the effect of flaws (postulated or detected) on the safety margins of pressure boundary components of light water-cooled type nuclear steam supply systems. The methodology can also be employed for structural integrity analyses of other engineering components. Extensive experimental and analytical investigations undertaken to evaluate potential criteria for crack initiation and growth and the selection of the final criteria for analysing crack growth and stability in flawed structures are summarised. The experimental and analytical results obtained to date suggest that parameters based on the J-integral and the crack tip opening displacement, delta, are the most promising. This is not surprising since, from a theoretical basis, the two approaches are similar if certain conditions are met. An engineering/design approach for the assessment of crack growth and instability in flawed structures is outlined. (author)

  4. Rheological behavior and stability of ciprofloxacin suspension: Impact of structural vehicles and flocculating agent

    Directory of Open Access Journals (Sweden)

    Eskandar Moghimipour

    2013-01-01

    Full Text Available Ciprofloxacin is a fluoroquinolone and is used against a broad spectrum of gram-negative and gram-positive bacteria. The aim of the study is to investigate the effect of structural vehicles and other formulating factors on physical stability and rheological behavior of ciprofloxacin suspension. To formulate the suspensions, the effect of glycerin and polysorbate 80 as wetting agents was evaluated. Then to achieve controlled flocculation, different concentrations of sodium chloride and calcium chloride were added. After choosing suitable wetting and flocculating agents, structural vehicles such as sodium carboxyl methyl cellulose (NaCMC, hydroxypropylmethylcellulose (HPMC and Veegum were evaluated. Physical stability parameters such as sedimentation volume, the degree of flocculation and the ease of redispersion of the suspensions and growth of crystals were evaluated. After incorporation of structural vehicles, the rheological properties of formulations containing were also studied to find out their rheological behavior. According to the results, suspension containing glycerin (0.2% w/v and sodium chloride (0.05% w/v as wetting agent and flocculating agent, respectively, were the most stable formulations regarding their F and N. Microscopic observations showed the growth of crystals in ciprofloxacin suspension in formulation without excipients and the minimum amount of crystal growth was seen in suspension containing NaCMC (0.25% w/v, Veegum (0.1% w/v and NaCl (0.05% w/v. Rheological studies showed that almost all of the formulations had psuedoplastic behavior with different degree of thixotropy. The formulation containing NaCMC (0.25% w/v, Veegum (0.1% w/v and NaCl (0.05% w/v was the most stable formulation. It may be concluded that by altering the amount ratios of formulation factors, the best rheological behavior and the most proper thixotropy may be achieved.

  5. Rheological behavior and stability of ciprofloxacin suspension: Impact of structural vehicles and flocculating agent.

    Science.gov (United States)

    Moghimipour, Eskandar; Rezaee, Saeed; Salimi, Anayatollah; Asadi, Elham; Handali, Somayeh

    2013-07-01

    Ciprofloxacin is a fluoroquinolone and is used against a broad spectrum of gram-negative and gram-positive bacteria. The aim of the study is to investigate the effect of structural vehicles and other formulating factors on physical stability and rheological behavior of ciprofloxacin suspension. To formulate the suspensions, the effect of glycerin and polysorbate 80 as wetting agents was evaluated. Then to achieve controlled flocculation, different concentrations of sodium chloride and calcium chloride were added. After choosing suitable wetting and flocculating agents, structural vehicles such as sodium carboxyl methyl cellulose (NaCMC), hydroxypropylmethylcellulose (HPMC) and Veegum were evaluated. Physical stability parameters such as sedimentation volume, the degree of flocculation and the ease of redispersion of the suspensions and growth of crystals were evaluated. After incorporation of structural vehicles, the rheological properties of formulations containing were also studied to find out their rheological behavior. According to the results, suspension containing glycerin (0.2% w/v) and sodium chloride (0.05% w/v) as wetting agent and flocculating agent, respectively, were the most stable formulations regarding their F and N. Microscopic observations showed the growth of crystals in ciprofloxacin suspension in formulation without excipients and the minimum amount of crystal growth was seen in suspension containing NaCMC (0.25% w/v), Veegum (0.1% w/v) and NaCl (0.05% w/v). Rheological studies showed that almost all of the formulations had psuedoplastic behavior with different degree of thixotropy. The formulation containing NaCMC (0.25% w/v), Veegum (0.1% w/v) and NaCl (0.05% w/v) was the most stable formulation. It may be concluded that by altering the amount ratios of formulation factors, the best rheological behavior and the most proper thixotropy may be achieved.

  6. IRON OPACITY BUMP CHANGES THE STABILITY AND STRUCTURE OF ACCRETION DISKS IN ACTIVE GALACTIC NUCLEI

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Yan-Fei [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Davis, Shane W. [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States); Stone, James M. [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States)

    2016-08-10

    Accretion disks around supermassive black holes have regions where the Rosseland mean opacity can be larger than the electron scattering opacity due to the large number of bound–bound transitions in iron. We study the effects of this iron opacity “bump” on the thermal stability and vertical structure of radiation-pressure-dominated accretion disks, utilizing three-dimensional radiation magnetohydrodynamic (MHD) simulations in the local shearing box approximation. The simulations self-consistently calculate the heating due to MHD turbulence caused by magneto-rotational instability and radiative cooling by using the radiative transfer module based on a variable Eddington tensor in Athena. For a 5 × 10{sup 8} solar mass black hole with ∼3% of the Eddington luminosity, a model including the iron opacity bump maintains its structure for more than 10 thermal times without showing significant signs of thermal runaway. In contrast, if only electron scattering and free–free opacity are included as in the standard thin disk model, the disk collapses on the thermal timescale. The difference is caused by a combination of (1) an anti-correlation between the total optical depth and the midplane pressure, and (2) enhanced vertical advective energy transport. These results suggest that the iron opacity bump may have a strong impact on the stability and structure of active galactic nucleus (AGN) accretion disks, and may contribute to a dependence of AGN properties on metallicity. Since this opacity is relevant primarily in UV emitting regions of the flow, it may help to explain discrepancies between observation and theory that are unique to AGNs.

  7. Double-Layer Structured CO2 Adsorbent Functionalized with Modified Polyethyleneimine for High Physical and Chemical Stability.

    Science.gov (United States)

    Jeon, Sunbin; Jung, Hyunchul; Kim, Sung Hyun; Lee, Ki Bong

    2018-06-18

    CO 2 capture using polyethyleneimine (PEI)-impregnated silica adsorbents has been receiving a lot of attention. However, the absence of physical stability (evaporation and leaching of amine) and chemical stability (urea formation) of the PEI-impregnated silica adsorbent has been generally established. Therefore, in this study, a double-layer impregnated structure, developed using modified PEI, is newly proposed to enhance the physical and chemical stabilities of the adsorbent. Epoxy-modified PEI and diepoxide-cross-linked PEI were impregnated via a dry impregnation method in the first and second layers, respectively. The physical stability of the double-layer structured adsorbent was noticeably enhanced when compared to the conventional adsorbents with a single layer. In addition to the enhanced physical stability, the result of simulated temperature swing adsorption cycles revealed that the double-layer structured adsorbent presented a high potential working capacity (3.5 mmol/g) and less urea formation under CO 2 -rich regeneration conditions. The enhanced physical and chemical stabilities as well as the high CO 2 working capacity of the double-layer structured adsorbent were mainly attributed to the second layer consisting of diepoxide-cross-linked PEI.

  8. Role of quaternary structure in muscle creatine kinase stability: tryptophan 210 is important for dimer cohesion.

    Science.gov (United States)

    Perraut, C; Clottes, E; Leydier, C; Vial, C; Marcillat, O

    1998-07-01

    A mutant of the dimeric rabbit muscle creatine kinase (MM-CK) in which tryptophan 210 was replaced has been studied to assess the role of this residue in dimer cohesion and the importance of the dimeric state for the native enzyme stability. Wild-type protein equilibrium unfolding induced by guanidine hydrochloride occurs through intermediate states with formation of a molten globule and a premolten globule. Unlike the wild-type enzyme, the mutant inactivates at lower denaturant concentration and the loss of enzymatic activity is accompanied by the dissociation of the dimer into two apparently compact monomers. However, the Stokes radius of the monomer increases with denaturant concentration as determined by size exclusion chromatography, indicating that, upon monomerization, the protein structure is destabilized. Binding of 8-anilinonaphthalene-1-sulfonate shows that the dissociated monomer exposes hydrophobic patches at its surface, suggesting that it could be a molten globule. At higher denaturant concentrations, both wild-type and mutant follow similar denaturation pathways with formation of a premolten globule around 1.5-M guanidine, indicating that tryptophan 210 does not contribute to a large extent to the monomer conformational stability, which may be ensured in the dimeric state through quaternary interactions.

  9. Lyapunov stability and poisson structure of the thermal TDHF and RPA equations

    International Nuclear Information System (INIS)

    Balian, R.; Veneroni, M.

    1989-01-01

    The thermal TDHF equation is analyzed in the Liouville representation of quantum mechanics, where the matrix elements of the single-particle (s.p) density ρ behave as classical dynamical variables. By introducing the Lie--Poisson bracket associated with the unitary group of the s.p. Hilbert space, we show that TDHF has a Hamiltonian, but non-canonical, classical form. Within this Poisson structure, either the s.p. energy or the s.p. grand potential Ω(ρ) act as a Hamilton function. The Lyapunov stability of both the TDHF and RPA equations around a HF state then follows, since the HF approximation for thermal equilibrium is determined by minimizing Ω(ρ). The RPA matrix in the Liouville space is expressed as the product of the Poisson tensor with the HF stability matrix, interpreted as a metric tensor generated by the entropy. This factorization displays the roles of the energy and entropy terms arising from Ω(ρ) in the RPA dynamics, and it helps to construct the RPA modes. Several extensions are considered. copyright 1989 Academic Press, Inc

  10. Lyapunov stability and Poisson structure of the thermal TDHF and RPA equations

    International Nuclear Information System (INIS)

    Veneroni, M.; Balian, R.

    1989-01-01

    The thermal TDHF equation is analyzed in the Liouville representation of quantum mechanics, where the matrix elements of the single-particle (s.p.) density ρ behave as classical dynamical variables. By introducing the Lie-Poisson bracket associated with the unitary group of the s.p. Hilbert space, we show that TDHF has a hamiltonian, but non-canonical, classical form. Within this Poisson structure, either the s.p. energy or the s.p. grand potential Ω(ρ) act as a Hamilton function. The Lyapunov stability of both the TDHF and RPA equations around a HF state then follows, since the HF approximation for thermal equilibrium is determined by minimizing Ω(ρ). The RPA matrix in the Liouville space is expressed as the product of the Poisson tensor with the HF stability matrix, interpreted as a metric tensor generated by the entropy. This factorization displays the roles of the energy and entropy terms arising from Ω(ρ) in the RPA dynamics, and it helps to construct the RPA modes. Several extensions are considered

  11. Structural stability of human protein tyrosine phosphatase ρ catalytic domain: effect of point mutations.

    Directory of Open Access Journals (Sweden)

    Alessandra Pasquo

    Full Text Available Protein tyrosine phosphatase ρ (PTPρ belongs to the classical receptor type IIB family of protein tyrosine phosphatase, the most frequently mutated tyrosine phosphatase in human cancer. There are evidences to suggest that PTPρ may act as a tumor suppressor gene and dysregulation of Tyr phosphorylation can be observed in diverse diseases, such as diabetes, immune deficiencies and cancer. PTPρ variants in the catalytic domain have been identified in cancer tissues. These natural variants are nonsynonymous single nucleotide polymorphisms, variations of a single nucleotide occurring in the coding region and leading to amino acid substitutions. In this study we investigated the effect of amino acid substitution on the structural stability and on the activity of the membrane-proximal catalytic domain of PTPρ. We expressed and purified as soluble recombinant proteins some of the mutants of the membrane-proximal catalytic domain of PTPρ identified in colorectal cancer and in the single nucleotide polymorphisms database. The mutants show a decreased thermal and thermodynamic stability and decreased activation energy relative to phosphatase activity, when compared to wild- type. All the variants show three-state equilibrium unfolding transitions similar to that of the wild- type, with the accumulation of a folding intermediate populated at ~4.0 M urea.

  12. Mechanical synthesis of copper-carbon nanocomposites: Structural changes, strengthening and thermal stabilization

    Energy Technology Data Exchange (ETDEWEB)

    Nunes, D., E-mail: daniela.nunes@ist.utl.pt [Associacao Euratom/IST, Instituto de Plasmas e Fusao Nuclear - Laboratorio Associado, Instituto Superior Tecnico, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); LNEG, Estrada do Paco do Lumiar, 1649-038 Lisboa (Portugal); ICEMS, Instituto Superior Tecnico, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Livramento, V. [Associacao Euratom/IST, Instituto de Plasmas e Fusao Nuclear - Laboratorio Associado, Instituto Superior Tecnico, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); LNEG, Estrada do Paco do Lumiar, 1649-038 Lisboa (Portugal); Mateus, R. [Associacao Euratom/IST, Instituto de Plasmas e Fusao Nuclear - Laboratorio Associado, Instituto Superior Tecnico, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Correia, J.B. [LNEG, Estrada do Paco do Lumiar, 1649-038 Lisboa (Portugal); Alves, L.C. [ITN, Instituto Tecnologico e Nuclear, Estrada Nacional 10, 2686-953 Sacavem (Portugal); Vilarigues, M. [Departamento de Conservacao e Restauro e R and D Unit Vidro e da Ceramica Para as Artes, FCT-UNL, Quinta da Torre, 2829-516 Caparica (Portugal); Carvalho, P.A. [ICEMS, Instituto Superior Tecnico, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Departamento de Bioengenharia, Instituto Superior Tecnico, Av. Rovisco Pais, 1049-001 Lisboa (Portugal)

    2011-11-15

    Highlights: {yields} The study characterized Cu-nanodiamond (Cu-nD) and Cu-graphite (Cu-G) composites. {yields} Preservation of nD crystalline structure during high-energy milling was demonstrated. {yields} Higher refinement of matrix in Cu-nD comparing to Cu-G is due to a milling mechanism. {yields} Remarkable thermal stability and microhardness have been achieved in Cu-nD and Cu-G. {yields} Strengthening resulted mainly from grain refinement and second-phase reinforcement. - Abstract: Processing of copper-carbon nanocomposites by mechanical synthesis poses specific challenges as carbon phases are prone to amorphization and exhibit an intrinsically difficult bonding with copper. The present work investigates Cu-nanodiamond (Cu-nD) and Cu-graphite (Cu-G) composites produced by mechanical synthesis and subsequent heat treatments. Transmission electron microscopy observations showed homogeneous particle distributions and intimate bonding between the metallic matrix and the carbon phases. Ring diffraction patterns of chemically extracted carbon phases demonstrated that milled nanodiamond preserved crystallinity, while an essentially amorphous nature could be inferred for milled graphite. Raman spectra confirmed that nanodiamond particles remained essentially unaffected by the mechanical synthesis, whereas the bands of milled graphite were significantly changed into the typical amorphous carbon fingerprint. Particle-induced X-ray emission spectroscopy showed that the total contamination originating from the milling media remained below 0.7 wt.%. The Cu-nanodiamond composite exhibited remarkable microhardness and microstructural thermal stability when compared with pure nanostructured copper.

  13. Mechanical synthesis of copper-carbon nanocomposites: Structural changes, strengthening and thermal stabilization

    International Nuclear Information System (INIS)

    Nunes, D.; Livramento, V.; Mateus, R.; Correia, J.B.; Alves, L.C.; Vilarigues, M.; Carvalho, P.A.

    2011-01-01

    Highlights: → The study characterized Cu-nanodiamond (Cu-nD) and Cu-graphite (Cu-G) composites. → Preservation of nD crystalline structure during high-energy milling was demonstrated. → Higher refinement of matrix in Cu-nD comparing to Cu-G is due to a milling mechanism. → Remarkable thermal stability and microhardness have been achieved in Cu-nD and Cu-G. → Strengthening resulted mainly from grain refinement and second-phase reinforcement. - Abstract: Processing of copper-carbon nanocomposites by mechanical synthesis poses specific challenges as carbon phases are prone to amorphization and exhibit an intrinsically difficult bonding with copper. The present work investigates Cu-nanodiamond (Cu-nD) and Cu-graphite (Cu-G) composites produced by mechanical synthesis and subsequent heat treatments. Transmission electron microscopy observations showed homogeneous particle distributions and intimate bonding between the metallic matrix and the carbon phases. Ring diffraction patterns of chemically extracted carbon phases demonstrated that milled nanodiamond preserved crystallinity, while an essentially amorphous nature could be inferred for milled graphite. Raman spectra confirmed that nanodiamond particles remained essentially unaffected by the mechanical synthesis, whereas the bands of milled graphite were significantly changed into the typical amorphous carbon fingerprint. Particle-induced X-ray emission spectroscopy showed that the total contamination originating from the milling media remained below 0.7 wt.%. The Cu-nanodiamond composite exhibited remarkable microhardness and microstructural thermal stability when compared with pure nanostructured copper.

  14. Structure, stability and ELM dynamics of the H-mode pedestal in DIII-D

    International Nuclear Information System (INIS)

    Fenstermacher, M.E.; Leonard, A.W.; Osborne, T.H.

    2005-01-01

    Experiments are described that have increased understanding of the transport and stability physics that set the H-mode edge pedestal width and height, determine the onset of Type-I edge localized modes (ELMs), and produce the nonlinear dynamics of the ELM perturbation in the pedestal and scrape-off layer (SOL). Predictive models now exist for the n e pedestal profile and the p e height at the onset of Type-I ELMs, and progress has been made toward predictive models of the T e pedestal width and nonlinear ELM evolution. Similarity experiments between DIII-D and JET suggested that neutral penetration physics dominates in the relationship between the width and height of the n e pedestal while plasma physics dominates in setting the T e pedestal width. Measured pedestal conditions including edge current at ELM onset agree with intermediate-n peeling-ballooning (P-B) stability predictions. Midplane ELM dynamics data show the predicted (P-B) structure at ELM onset, large rapid variations of the SOL parameters, and fast radial propagation in later phases, similar to features in nonlinear ELM simulations. (author)

  15. Theoretical study of stability geometrical and electronic structure of (BeHsub(2))sub(n) oligomers

    Energy Technology Data Exchange (ETDEWEB)

    Sukhanov, L P; Boldyrev, A I; Charkin, O P [AN SSSR, Moscow. Inst. Novykh Khimicheskikh Problem

    1983-01-01

    The Hartree-Fock-Ruthane method with the Roos-Siegbahn two-exponent basis is used to calculate stability, geometrical and electronic structures of (BeHsub(2))sub(n) oligomers, where n=1, 2, 3, 4 and 6. It is shown that with the growth of oligomerization degree n stability of linear band structure is increased as compared with other configurations including high-coordination volumetric ones. Tendencies in formation with n growth of geometrical, energetic characteristics, electronic structure of (BeHsub(2))sub(n) oligomers of band type are analysed.

  16. Stabilization of polar Mn3O4(001) film on Ag(001): Interplay between kinetic and structural stability

    Science.gov (United States)

    Kundu, Asish K.; Barman, Sukanta; Menon, Krishnakumar S. R.

    2017-10-01

    Stabilization processes of polar surfaces are often very complex and interesting. Understanding of these processes is crucial as it ultimately determines the properties of the film. Here, by the combined study of Low Energy Electron Diffraction (LEED), X-ray Photoelectron Spectroscopy (XPS) and Ultraviolet Photoemission Spectroscopy (UPS) techniques we show that, although there can be many processes involved in the stabilization of the polar surfaces, in case of Mn3O4(001)/Ag(001), it goes through different reconstructions of the Mn2O4 terminated surface which is in good agreements with the theoretical predictions. The complex surface phase diagram has been probed by LEED as a function of film thickness, oxygen partial pressure and substrate temperature during growth, while their chemical compositions have been probed by XPS. Below a critical film thickness of ∼ 1 unit cell height (8 sublayers or 3 ML) of Mn3O4 and oxygen partial pressure range of 2 × 10-8 mbar oxygen partial pressure (> 5 × 10-7 mbar) and higher temperature UHV annealing. The origin of these stripes has been explained with the help of UPS results.

  17. Structural stability of C60 films under irradiation with swift heavy ions

    International Nuclear Information System (INIS)

    Jin Yunfan; Yao Cunfeng; Wang Zhiguang; Xie Erqing; Song Yin; Sun Youmei; Zhang Chonghong; Liu Jie; Duan Jinglai

    2005-01-01

    In order to investigate the structural stability of fullerene (C 60 ) under swift heavy ion irradiation, the irradiation experiments of thin C 60 films were performed with 22 MeV/amu Fe 56 ions delivered by HIRFL at Lanzhou in China. The irradiated C 60 films were analyzed by means of Raman scattering and Fourier transform infrared (FTIR) spectroscopes. The analysis results indicated that the damage cross-sections σ of the C 60 molecule deduced from the data of the Raman spectra are between 1.1 and 4.5 x 10 -14 cm 2 for the electronic energy loss from 3.5 to 8.7 keV/nm and electronic energy transfer dominates the damage process of C 60 films. The partial recovery of the damage in irradiated C 60 films at certain electronic energy loss is attributed to an annealing effect of strong electronic excitation

  18. Vertical Structure of Radiation-pressure-dominated Thin Disks: Link between Vertical Advection and Convective Stability

    International Nuclear Information System (INIS)

    Gong, Hong-Yu; Gu, Wei-Min

    2017-01-01

    In the classic picture of standard thin accretion disks, viscous heating is balanced by radiative cooling through the diffusion process, and the radiation-pressure-dominated inner disk suffers convective instability. However, recent simulations have shown that, owing to the magnetic buoyancy, the vertical advection process can significantly contribute to energy transport. In addition, in comparing the simulation results with the local convective stability criterion, no convective instability has been found. In this work, following on from simulations, we revisit the vertical structure of radiation-pressure-dominated thin disks and include the vertical advection process. Our study indicates a link between the additional energy transport and the convectively stable property. Thus, the vertical advection not only significantly contributes to the energy transport, but it also plays an important role in making the disk convectively stable. Our analyses may help to explain the discrepancy between classic theory and simulations on standard thin disks.

  19. Persistence and stability of fish community structure in a southwest New York stream

    Science.gov (United States)

    Hansen, Michael J.; Ramm, Carl W.

    1994-01-01

    We used multivariate and nonparametric statistics to examine persistence and stability of fish species in the upper 43 km of French Creek, New York. Species occurred in upstream and downstream groups in 1937 that persisted in 1979. However, the downstream group expanded its range in the drainage from 1937 to 1979 at the expense of the upstream group. A dam prevented further upstream expansion of the downstream group. Ranks of species abundances were stable, as tests of group similarity were significant. The abundances and distributions of benthic species were stable across seven sampling dates in 1980 despite several floods and repeated removals by sampling that could have altered community structure. We conclude that the fish community in French Creek persisted and was stable over the 42-yr interval, 1937-1979, and that abundances of benthic species were stable in summer 1980.

  20. Polymer confined in membrane phases: influences on stability, structure and dynamics

    International Nuclear Information System (INIS)

    Javierre, Isabelle

    1999-01-01

    The addition of a hydrosoluble polymer to the different structures obtained with mixtures of water/surfactant/alcohol/oil alters the thermodynamic stability of microemulsion and lamellar phases. The reverse sponge phase disappears while one can observe the occurrence of a new phase, labelled L5, at intermediate polymer concentration. In polymer-'doped' solvent lamellar phase, the polymer induces an attractive contribution to the interaction between bilayers while in polymer-'doped' bilayers lamellar phase, the polymer increases the flexibility. The L5 phase exhibits symmetric sponge properties and furthermore presents very strong symmetry fluctuations. The relaxation of these fluctuations were experimentally evidenced for the first time. This unusual dynamic behaviour was confronted to the one of other sponge phases, in a large range of concentrations. (author) [fr

  1. Corrections to the Eckhaus' stability criterion for one-dimensional stationary structures

    Science.gov (United States)

    Malomed, B. A.; Staroselsky, I. E.; Konstantinov, A. B.

    1989-01-01

    Two amendments to the well-known Eckhaus' stability criterion for small-amplitude non-linear structures generated by weak instability of a spatially uniform state of a non-equilibrium one-dimensional system against small perturbations with finite wavelengths are obtained. Firstly, we evaluate small corrections to the main Eckhaus' term which, on the contrary so that term, do not have a universal form. Comparison of those non-universal corrections with experimental or numerical results gives a possibility to select a more relevant form of an effective nonlinear evolution equation. In particular, the comparison with such results for convective rolls and Taylor vortices gives arguments in favor of the Swift-Hohenberg equation. Secondly, we derive an analog of the Eckhaus criterion for systems degenerate in the sense that in an expansion of their non-linear parts in powers of dynamical variables, the second and third degree terms are absent.

  2. Structural stability and fission product behaviour in U{sub 3}Si

    Energy Technology Data Exchange (ETDEWEB)

    Middleburgh, S.C., E-mail: simon.middleburgh@hotmail.co.uk [IME, Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales (Australia); Westinghouse Electric Sweden AB, SE-72163 Västerås (Sweden); Burr, P.A. [Department of Materials, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); King, D.J.M.; Edwards, L.; Lumpkin, G.R. [IME, Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales (Australia); Grimes, R.W. [Department of Materials, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom)

    2015-11-15

    The crystalline and amorphous structures of U{sub 3}Si have been investigated using density functional theory techniques for the first time. The effects of disorder and the impact of fission products has been separated to understand the swelling characteristics of U{sub 3}Si in both crystalline and amorphous U{sub 3}Si. Initially, the stability of the three experimentally observed polymorphs of U{sub 3}Si were explored. Subsequently, we modelled the amorphous U{sub 3}Si system and conclude that initial increase in volume observed experimentally at low temperature corresponds well with the volume change that occurs with the observed amorphisation of the material. The solubility of Xe and Zr into both the crystalline and amorphous systems was subsequently investigated.

  3. A density functional study of structures and stability of SinCN clusters

    International Nuclear Information System (INIS)

    Gai Zhigang; Yang Li; Zhao Jie; Chu Shibo

    2011-01-01

    In this paper, density functional theory (DFT) B3LYP method with 6-311G * basis set has been used to investigate geometric configurations, vibrational frequencies and ground state energies of Si n CN (n = 2 ∼ 6) clusters. The energies and spin multiplicities of ground states and substable states have been discussed, respectively. Harmonic frequencies and infrared spectra intensity for these clusters are given in order to aid in the characterization of the stable structures. The results show that the zero point energy (ZPE), thermocapacity and entropies are nearly in proportion to increased n, whose average enhancement are 0.80 kcal/mol, 5.20 cal/mol · K and 12.72 cal/ mol · K, respectively. The stability of Si n CN (n = 2 ∼ 6) clusters with even n are greater than that with odd n. (authors)

  4. Fisher matrix forecasts for astrophysical tests of the stability of the fine-structure constant

    Directory of Open Access Journals (Sweden)

    C.S. Alves

    2017-07-01

    Full Text Available We use Fisher Matrix analysis techniques to forecast the cosmological impact of astrophysical tests of the stability of the fine-structure constant to be carried out by the forthcoming ESPRESSO spectrograph at the VLT (due for commissioning in late 2017, as well by the planned high-resolution spectrograph (currently in Phase A for the European Extremely Large Telescope. Assuming a fiducial model without α variations, we show that ESPRESSO can improve current bounds on the Eötvös parameter—which quantifies Weak Equivalence Principle violations—by up to two orders of magnitude, leading to stronger bounds than those expected from the ongoing tests with the MICROSCOPE satellite, while constraints from the E-ELT should be competitive with those of the proposed STEP satellite. Should an α variation be detected, these measurements will further constrain cosmological parameters, being particularly sensitive to the dynamics of dark energy.

  5. Streptomyces rimosus GDS(L Lipase: Production, Heterologous Overexpression and Structure-Stability Relationship

    Directory of Open Access Journals (Sweden)

    Marija Abramić

    2003-01-01

    Full Text Available Streptomyces rimosus lipase gene has been overexpressed in a heterologous host, S. lividans TK23. The maximal lipase activity was determined in the culture filtrates of the late stationary phase. Time course of lipase production was monitored by a modified plate assay. S. rimosus lipase gene has been located on the AseI B fragment approximately 2 Mb far from the left end of the S. rimosus linear chromosome. Out of eight examined streptomycetes, the presence of this rare type of bacterial lipase gene was detected in two belonging to the S. rimosus taxonomic cluster, and in one non-related species. Comparison of protein sequences of the Streptomyces lipolytic enzymes was performed. The result indicated the best structural stability of the putative S. coelicolor lipase-2.

  6. Rock mechanics investigations of structural stability in the Bulli seam at West Cliff Colliery

    Energy Technology Data Exchange (ETDEWEB)

    Jaggar, F

    1978-03-01

    Rock mechanics investigations were conducted at West Cliff colliery to obtain rock properties and stress measurements and study the stability of mining structures. The roof and floor were drilled in order to obtain core for rock testing and lump samples of coal were collected in order to measure the coal properties. Absolute stress measurements were obtained using CSIR cells. The strata were sufficiently uniform and competent to overcore the emplaced cells. Testing revealed that the rocks were better than average for coal measure sedimentary strata and the stresses indicated the existence of a moderately high horizontal stress field. The coal is of average strength only with some marked variation relating to the very banded nature of the seam. Finite element analyses showed that the rectangular roadways driven using roof bolts and timber supports were stable and adequately stable by an indicative factor of safety of about l.5.

  7. Defect structure, nonstoichiometry, and phase stability of Ca-doped YCrO3

    International Nuclear Information System (INIS)

    Carini, G.F. II; Anderson, H.U.; Nasrallah, M.M.; Sparlin, D.M.

    1991-01-01

    The dependence of the defect structure of Ca-doped YCrO 3 on oxygen activity and temperature was investigated by high temperature thermogravimetric measurements. Defect models developed from electrical conductivity data obtained in a previous study were used to interpret the thermogravimetric data. A correlation was found between the electrical conductivity and the thermogravimetric data which suggested that these data were concomitantly dependent on the acceptor dopant and oxygen vacancy dependence of the thermodynamic parameters. Kroeger-Vink type diagrams showing the regions of stability with respect to oxygen activity and temperature were constructed. The TGA data show that Ca-doped YCrO 3 is even more stable toward reduction than doped LaCrO 3

  8. Nuclear structure far from stability: the neutron-rich 69-79Cu isotopes

    International Nuclear Information System (INIS)

    Franchoo, Serge

    2015-01-01

    Far from stability, the nuclear structure that is predicted by the shell model is evolving. Old magic numbers disappear, while new ones appear. Our understanding of the underlying nuclear force that drives these changes is still incomplete. After a short overview across the nuclear chart, we discuss the strength functions of the shell-model orbitals in the neutron-rich copper isotopes towards the 78 Ni doubly-magic nucleus. These were measured in a 72 Zn(d, 3 He) 71 Cu proton pick-up reaction in inverse kinematics with a radioactive beam at the Ganil laboratory in France. We also present the latest results from a 80 Zn(p,2p) 79 Cu knockout experiment at Riken in Japan, leading to selective population of hole states in 79 Cu. Our findings show that the Z=28 shell gap in the neutron-rich copper isotopes is surprisingly steady against the addition of neutrons beyond N=40. (author)

  9. Valence electron structure and properties of stabilized ZrO2

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    To reveal the properties of stabilizers in ZrO2 on nanoscopic levels, the valence electron structures of four stable ZrO2 phases and c-ZrO2 were analyzed on the basis of the empirical electron theory of solids and molecules. The results showed that the hybridization levels of Zr atoms in c-ZrO2 doped with Ca and Mg dropped from B17 to B13, the hybridization levels of Zr atoms in c-ZrO2 doped with Y and Ce dropped from B17 to B15, and that the four stabilizing atoms all made the hybridization levels of O atoms drop from level 4 to level 2. The numbers of covalent electrons in the strongest covalent bond in the descending order are c-ZrO2>Zr0.82Ce0.18O2> Zr0.82Y0.18O1.91>Zr0.82Mg0.18O1.82>Zr0.82Ca0.18O1.82. The bond energies of the strongest covalent bond and the melting points of the solid solutions in the descending order are Zr0.82Ce0.18O2> c-ZrO2>Zr0.82Y0.18O1.91>Zr0.82Mg0.18O1.82>Zr0.82Ca0.18O1.82. The percent-ages of the total number of covalent electrons in the descending order are c-ZrO2>Zr0.82Y0.18O1.91> Zr0.82Ce0.18O2>Zr0.82Mg0.18O1.82> Zr0.82Ca0.18O1.82. From the above analysis, it can be concluded that the stabilizing degrees of the four stabilizers in the descending order are CaO> MgO>Y2O3>CeO2.

  10. Study of Local and Distortional Stability of Thin-Walled Structures

    Directory of Open Access Journals (Sweden)

    Imene Mahi

    2018-01-01

    Full Text Available Thin-walled structures have an increasingly large and growing field of application in the engineering sector, the goal behind using this type of structure is efficiency in terms of resistance and cost, however the stability of its components (the thin walls remains the first aspect of the behavior, and a primordial factor in the design process. The hot rolled sections are known by a consequent post-buckling reserve, cold-formed steel sections which are thin-walled elements also benefit, in this case, it seems essential to take into account the favorable effects of this reserve in to the verification procedure of the resistance with respect to the three modes of failures of this type of structure. The design method that takes into account this reserve of resistance is inevitably the effective width method. The direct strength method has been developed to improve the speed and efficiency of the design of thin-walled profiles. The latter mainly uses the buckling loads (for Local, Distortional and Global mode obtained from a numerical analysis and the resistance curves calibrated experimentally to predict the ultimate load of the profile. Among those, the behavior of a set of Cshaped profiles (highly industrialized is studied, this type of section is assumed to be very prone to modes of local and distortional instability. The outcome of this investigation revealed very relevant conclusions both scientifically and practically.

  11. Rain water drop impact as a laboratory methodology to determinate the soils structural stability

    International Nuclear Information System (INIS)

    Arias, Dora M; Amezquita E

    1999-01-01

    To avoid degradation, it is necessary to have (sufficiently) sensitive parameter to the use actions, so that it is possible to determine what negative changes are happening and to take the soil management measures that avoid the degradation. One of the main causes of degradation in the areas of hillside of Colombia is the erosion, which begins with the impact of the drop of rainwater on the bare soil. For this research samples of an oxic dystropepts were taken at two depths (0-2.5 and 2.5-5 cm) to studying the susceptibility of its structure, to the impact of the drop falling from 2000 mm high. The samples were subjected to drop impact, in a special assembly apparatus that generated drops falling on samples that were 2-m below rotating in a rotations apparatus of generation of drops. As the time of impact advanced, the changes in the hydraulic conductivity were determined. This as parameter was used as an indicator appraiser of the structural resistance of the soils. The results show that the used methodology was sensitive to the situations of use of the soils. The initial hydraulic conductivity was higher in the production systems less intervened (natural forest, leucaena, with mulch, without mulch) and smaller in la those ones most intervened (monocrops of corn, bean, yuca), showing that human intervention has promotes a decay in the stability of soil structure

  12. Functional and stability orientation synthesis of materials and structures in aprotic Li-O2 batteries.

    Science.gov (United States)

    Zhang, Peng; Zhao, Yong; Zhang, Xinbo

    2018-04-23

    The lithium-O2 battery is one of most promising energy storage and conversion devices due to its ultrahigh theoretical energy density and hence has broad application potential in electrical vehicles and stationary power systems. However, the present Li-O2 battery suffers from a series of challenges for its practical application, such as its low capacity and rate capability, poor round-trip efficiency and short cycle life. These challenges mainly arise from the sluggish and unsustainable discharge and charge reactions at lithium and oxygen electrodes, which determine the performance and durability of a battery. In this review, we first provide insights on the present understanding of the discharge/charge mechanism of such a battery and follow up with establishing a correlation between the specific materials/structures of the battery modules and their functionality/stability within the recent progress in electrodes, electrolytes and redox mediators. Considerable emphasis is paid to the importance of functional orientation design and the synthesis of materials/structures towards accelerating and sustaining the electrode reactions of Li-O2 batteries. Moreover, the future directions and perspectives of rationally constructed material and surface/interface structures, as well as their optimal combinations are proposed for enhancement of the electrode reaction rate and sustainability, and consequently for a better performance and durability of such batteries.

  13. Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra

    Science.gov (United States)

    Golovnev, Nicolay N.; Molokeev, Maxim S.; Lesnikov, Maxim K.; Sterkhova, Irina V.; Atuchin, Victor V.

    2017-12-01

    Three new salts of pefloxacin (PefH) with thiobarbituric (H2tba) and barbituric (H2ba) acids, pefloxacinium 2-thiobarbiturate trihydrate, PefH2(Htba)·3H2O (1), pefloxacinium 2-thiobarbiturate, PefH2(Htba) (2) and bis(pefloxacinium barbiturate) hydrate, (PefH2)2(Hba)2·2.56H2O (3) are synthesized and structurally characterized by the X-ray single-crystal diffraction. The structures of 1-3 contain intramolecular hydrogen bonds Csbnd H⋯F, Osbnd H⋯O. Intermolecular hydrogen bonds Nsbnd H⋯O and Osbnd H⋯O form a 2D plane network in 1. In 2 and 3, intermolecular hydrogen bonds Nsbnd H⋯O form the infinite chains. In 1-3, the Htba- and Hba- ions are connected with PefH2+ only by one intermolecular hydrogen bond Nsbnd H⋯O. In 2 and 3, two Htba- and Hba- ions are connected by two hydrogen bonds Nsbnd H⋯O. These pairs form infinite chains. All three structures are stabilized by the π-π interactions of the head-to-tail type between PefH2+ ions. Compounds 2 and 3 are characterized by powder XRD, TG-DSC and FT-IR.

  14. A Method to Predict the Structure and Stability of RNA/RNA Complexes.

    Science.gov (United States)

    Xu, Xiaojun; Chen, Shi-Jie

    2016-01-01

    RNA/RNA interactions are essential for genomic RNA dimerization and regulation of gene expression. Intermolecular loop-loop base pairing is a widespread and functionally important tertiary structure motif in RNA machinery. However, computational prediction of intermolecular loop-loop base pairing is challenged by the entropy and free energy calculation due to the conformational constraint and the intermolecular interactions. In this chapter, we describe a recently developed statistical mechanics-based method for the prediction of RNA/RNA complex structures and stabilities. The method is based on the virtual bond RNA folding model (Vfold). The main emphasis in the method is placed on the evaluation of the entropy and free energy for the loops, especially tertiary kissing loops. The method also uses recursive partition function calculations and two-step screening algorithm for large, complicated structures of RNA/RNA complexes. As case studies, we use the HIV-1 Mal dimer and the siRNA/HIV-1 mutant (T4) to illustrate the method.

  15. 6-Thioguanine alters the structure and stability of duplex DNA and inhibits quadruplex DNA formation.

    Science.gov (United States)

    Marathias, V M; Sawicki, M J; Bolton, P H

    1999-07-15

    The ability to chemically synthesize biomolecules has opened up the opportunity to observe changes in structure and activity that occur upon single atom substitution. In favorable cases this can provide information about the roles of individual atoms. The substitution of 6-thioguanine (6SG) for guanine is a potentially very useful single atom substitution as 6SG has optical, photocrosslinking, metal ion binding and other properties of potential utility. In addition, 6-mercaptopurine is a clinically important pro-drug that is activated by conversion into 6SG by cells. The results presented here indicate that the presence of 6SG blocks the formation of quadruplex DNA. The presence of 6SG alters the structure and lowers the thermal stability of duplex DNA, but duplex DNA can be formed in the presence of 6SG. These results indicate that some of the cytotoxic activity of 6SG may be due to disruption of the quadruplex structures formed by telomere and other DNAs. This additional mode of action is consistent with the delayed onset of cytotoxicity.

  16. First-principles calculations of BC{sub 4}N nanostructures: stability and electronic structure

    Energy Technology Data Exchange (ETDEWEB)

    Freitas, A.; Azevedo, S. [Universidade Federal da Paraiba, CCEN, Departamento de Fisica, Joao Pessoa, PB (Brazil); Machado, M. [Universidade Federal de Pelotas, Departamento de Fisica, Pelotas, RS (Brazil); Kaschny, J.R. [Instituto Federal da Bahia-Campus Vitoria da Conquista, Vitoria da Conquista, BA (Brazil)

    2012-07-15

    In this work, we apply first-principles methods to investigate the stability and electronic structure of BC{sub 4}N nanostructures which were constructed from hexagonal graphite layers where substitutional nitrogen and boron atoms are placed at specific sites. These layers were rolled up to form zigzag and armchair nanotubes, with diameters varying from 7 to 12 A, or cut and bent to form nanocones, with 60 and 120 disclination angles. The calculation results indicate that the most stable structures are the ones which maximize the number of B-N and C-C bonds. It is found that the zigzag nanotubes are more stable than the armchair ones, where the strain energy decreases with increasing tube diameter D, following a 1/D {sup 2} law. The results show that the 60 disclination nanocones are the most stable ones. Additionally, the calculated electronic properties indicate a semiconducting behavior for all calculated structures, which is intermediate to the typical behaviors found for hexagonal boron nitride and graphene. (orig.)

  17. Oxidative stability of mayonnaise and milk drink produced with structured lipids based on fish oil and caprylic acid

    DEFF Research Database (Denmark)

    Timm Heinrich, Maike; Xu, Xuebing; Nielsen, Nina Skall

    2004-01-01

    The oxidative stabilities of traditional fish oil (FO), randomized lipids (RFO), or specific structured lipids (SFO) produced from fish oil were compared when incorporated into either milk drink or mayonnaise. Furthermore, the effect of adding the potential antioxidants EDTA (240 mg...... not be ascribed to a single factor, but was most likely influenced by the structure of the lipids and differences in the processes used to produce and purify the lipids. In milk drinks based on SFO, EDTA slightly reduced oxidation, while lactoferrin did not exert a distinct antioxidative effect....../kg) or lactoferrin (1000 mg/kg) to the milk drink based on SFO was investigated. The lipid type significantly affected the oxidative stability of both mayonnaises and milk drinks: The oxidative stability decreased in the order RFO>FO>SFO. The reduced oxidative stability in the SFO food emulsions could...

  18. H2O on Pt(111): structure and stability of the first wetting layer

    International Nuclear Information System (INIS)

    Standop, Sebastian; Michely, Thomas; Busse, Carsten; Morgenstern, Markus

    2012-01-01

    We study the structure and stability of the first water layer on Pt(111) by variable-temperature scanning tunneling microscopy. We find that a high Pt step edge density considerably increases the long-range order of the equilibrium √(37)×√(37)R25.3°- and √(39)×√(39)R16.1°-superstructures, presumably due to the capability of step edges to trap residual adsorbates from the surface. Passivating the step edges with CO or preparing a flat metal surface leads to the formation of disordered structures, which still show the same structural elements as the ordered ones. Coadsorption of Xe and CO proves that the water layer covers the metal surface completely. Moreover, we determine the two-dimensional crystal structure of Xe on top of the chemisorbed water layer which exhibits an Xe-Xe distance close to the one in bulk Xe and a rotation angle of 90° between the close-packed directions of Xe and the close-packed directions of the underlying water layer. CO is shown to replace H 2 O on the Pt(111) surface as has been deduced previously. In addition, we demonstrate that tunneling of electrons into the antibonding state or from the bonding state of H 2 O leads to dissociation of the molecules and a corresponding reordering of the adlayer into a √3×√3R30°-structure. Finally, a so far not understood restructuring of the adlayer by an increased tunneling current has been observed. (paper)

  19. Multivariate stability of force-reflecting teleoperation: Structures of finite and infinite zeros

    International Nuclear Information System (INIS)

    Daniel, R.W.; McAree, P.R.

    2000-01-01

    This paper presents a stability analysis of force-position teleoperation under general end-effector contact. The analysis is based on the finite and infinite zero structure of the multivariable root-locus resulting from modulation of the environment stiffness. The starting point is an analysis of the stability of robot force control, motivated by the observation that the human-operator in a force reflection loop acts as a force servo, generating position commands in response to reflected force. Asymptotic root loci properties are used to establish passivity conditions on force feedback to give root locus interpretations of the well-known results that (1) feedback via the inverse joint Jacobian can lead to (kinematic) instability and that (2) passivity is preserved by kinematically proper force feedback through the transpose of the joint angle Jacobian. It is demonstrated that a fully constrained force-position teleoperation loop has an identical infinite zero structure to that of a slave manipulation under kinematically proper force control and that the dominant vibration modes of a force-position loop are fully described by a multivariable analogue of the single-input single-output pseudo-system investigated in a study by Daniel and McAree. Extension of the analysis to cover partial end-effector constraint provides a design tool for teleoperation control and serves to aid selection of teleoperation slate-arms. The paper concludes by giving a passivity condition for multiple-input multiple-output force-position teleoperation for stable contact against all environments

  20. Influence of Cr doping on the stability and structure of small cobalt oxide clusters

    Energy Technology Data Exchange (ETDEWEB)

    Tung, Nguyen Thanh; Lievens, Peter; Janssens, Ewald, E-mail: ewald.janssens@fys.kuleuven.be [Laboratory of Solid-State Physics and Magnetism, KU Leuven, B-3001 Leuven (Belgium); Tam, Nguyen Minh; Nguyen, Minh Tho [Department of Chemistry, KU Leuven, B-3001 Leuven (Belgium)

    2014-07-28

    The stability of mass-selected pure cobalt oxide and chromium doped cobalt oxide cluster cations, Co{sub n}O{sub m}{sup +} and Co{sub n−1}CrO{sub m}{sup +} (n = 2, 3; m = 2–6 and n = 4; m = 3–8), has been investigated using photodissociation mass spectrometry. Oxygen-rich Co{sub n}O{sub m}{sup +} clusters (m ⩾ n + 1 for n = 2, 4 and m ⩾ n + 2 for n = 3) prefer to photodissociate via the loss of an oxygen molecule, whereas oxygen poorer clusters favor the evaporation of oxygen atoms. Substituting a single Co atom by a single Cr atom alters the dissociation behavior. All investigated Co{sub n−1}CrO{sub m}{sup +} clusters, except CoCrO{sub 2}{sup +} and CoCrO{sub 3}{sup +}, prefer to decay by eliminating a neutral oxygen molecule. Co{sub 2}O{sub 2}{sup +}, Co{sub 4}O{sub 3}{sup +}, Co{sub 4}O{sub 4}{sup +}, and CoCrO{sub 2}{sup +} are found to be relatively difficult to dissociate and appear as fragmentation product of several larger clusters, suggesting that they are particularly stable. The geometric structures of pure and Cr doped cobalt oxide species are studied using density functional theory calculations. Dissociation energies for different evaporation channels are calculated and compared with the experimental observations. The influence of the dopant atom on the structure and the stability of the clusters is discussed.

  1. Self and Superior Assessment.

    Science.gov (United States)

    1986-06-01

    model of the self-evaluation process as it differs from the evaluation process used by superiors. Symbolic Interactionism One view of self assessment is...supplied by the symbolic interactionists (Cooley, 1902; Head, 1934), who state that self perceptions are generated largely from individuals...disagreements remained even immediately after an appraisal interview in which a great deal of feedback was given. Research on the symbolic interactionist

  2. Influence of structured sidewalls on the wetting states and superhydrophobic stability of surfaces with dual-scale roughness

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Huaping, E-mail: wuhuaping@gmail.com [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024 (China); Zhu, Kai; Wu, Bingbing [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Lou, Jia [Piezoelectric Device Laboratory, Department of Mechanics and Engineering Science, Ningbo University, Ningbo, Zhejiang 315211 (China); Zhang, Zheng [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Chai, Guozhong, E-mail: chaigz@zjut.edu.cn [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China)

    2016-09-30

    Highlights: • Apparent contact angle equation of all wetting states on dual-scale rough surfaces is derived. • Structured sidewalls can improve superhydrophobicity than smooth sidewalls. • Structured sidewalls can enlarge ACA than smooth sidewalls. • Structured sidewalls present an advantage over smooth sidewalls in terms of enhancing superhydrophobic stability. - Abstract: The superhydrophobicity of biological surfaces with dual-scale roughness has recently received considerable attention because of the unique wettability of such surfaces. Based on this, artificial micro/nano hierarchical structures with structured sidewalls and smooth sidewalls were designed and the influences of sidewall configurations (i.e., structured and smooth) on the wetting state of micro/nano hierarchical structures were systematically investigated based on thermodynamics and the principle of minimum free energy. Wetting transition and superhydrophobic stability were then analyzed for a droplet on dual-scale rough surfaces with structured and smooth sidewalls. Theoretical analysis results show that dual-scale rough surfaces with structured sidewalls have a larger “stable superhydrophobic region” than those with smooth sidewalls. The dual-scale rough surfaces with smooth sidewalls can enlarge the apparent contact angle (ACA) without improvement in the superhydrophobic stability. By contrast, dual-scale rough surfaces with structured sidewalls present an advantage over those with smooth sidewalls in terms of enlarging ACA and enhancing superhydrophobic stability. The proposed thermodynamic model is valid when compared with previous experimental data and numerical analysis results, which is helpful for designing and understanding the wetting states and superhydrophobic stability of surfaces with dual-scale roughness.

  3. Photocatalytic property and structural stability of CuAl-based layered double hydroxides

    International Nuclear Information System (INIS)

    Lv, Ming; Liu, Haiqiang

    2015-01-01

    Three types of CuMAl layered double hydroxides (LDHs, M=Mg, Zn, Ni) were successfully synthesized by coprecipitation. Powder X-ray diffraction (XRD), inductively coupled plasma atomic emission spectrometry (ICP-AES) and UV–Vis diffuse reflectance spectrum (UV–vis) were used to confirm the formation of as-synthesized solids with good crystal structure. The photocatalytic activity of those LDH materials for CO 2 reduction under visible light was investigated. The experimental results show that CuNiAl-LDHs with narrowest band gap and largest surface areas behave highest efficiency for methanol generation under visible light compared with CuMgAl-LDHs and CuZnAl-LDHs. The CuNiAL-LDH showed high yield for methanol production i.e. 0.210 mmol/g h, which was high efficient. In addition, the influence of the different M 2+ on the structures and stability of the CuMAl-LDHs was also investigated by analyzing the geometric parameters, electronic arrangement, charge populations, hydrogen-bonding, and binding energies by density functional theory (DFT) analysis. The theoretical calculation results show that the chemical stability of LDH materials followed the order of CuMgAl-LDHs>CuZnAl-LDHs>CuNiAl-LDHs, which is just opposite with the photocatalytic activity and band gaps of three materials. - Graphical abstract: The host–guest calculation models and XRD patterns of CuMAl-LDHs: CuMgAl-LDHs (a), CuZnAl-LDHs (b) and CuNiAl-LDHs (c). - Highlights: • Three types of CuMAl layered double hydroxides (LDHs, M=Mg, Zn, Ni) has been synthesized. • CuMgNi shows narrower band gap and more excellent textural properties than other LDHs. • The band gap: CuMgAlstability and lowest photocatalytic activity, while CuNiAl just opposite

  4. Oligomeric stability of Rapana venosa hemocyanin (RvH) and its structural subunits.

    Science.gov (United States)

    Dolashka-Angelova, Pavlina; Schwarz, Heinz; Dolashki, Aleksandar; Stevanovic, Stefan; Fecker, Miriam; Saeed, Muhammad; Voelter, Wolfgang

    2003-03-21

    The two structural subunits RvH1 and RvH2 were separated after overnight dialysis of Rapana venosa Hc against 130 mM Gly/NaOH buffer, pH 9.6, on an ion exchange column Hiload 26/10 Sepharose Q using a fast performance liquid chromatography (FPLC) system. The reassociation characteristics of these two RvH isoforms and the native molecule were studied in buffers with different pH values and concentrations of Ca(2+) and Mg(2+). Reassociation of mixed RvH subunits was performed over a period of several days using a stabilizing buffer (SB) of pH 7.0 containing different concentrations of Ca(2+) and Mg(2+) ions. After 2 days of dialysis, an RvH subunit mixture of didecamers and multidecamers was observed in the presence of 100 mM CaCl(2) and MgCl(2), though RvH1 and RvH2 are biochemically and immunologically different and have also different dissociation properties. The reassociation, performed at pH 9.6 with 2 mM CaCl(2) and MgCl(2) at 4 degrees C over a period of one to several weeks, led to the formation of decameric oligomers, while didecamers formed predominantly in the SB at pH 7.0. Higher concentrations of calcium and magnesium ions led to a more rapid reassociation of RvH1 resulting in long stable multidecamers and helical tubules, which were stable and slowly dissociated into shorter multidecamers and decamers at higher pH values. The reassociation of the RvH2 structural subunit in the same buffers processed slowly and yielded didecamers, shorter tubule polymers and long multidecamers which are less stable at higher pH values. The stability of RvH isoforms under varying ionic conditions is compared with the stability of keyhole limpet (KLH, Megathura crenulata) hemocyanin (KLH) and Haliotis tuberculata hemocyanin (HtH) isoforms. The process of dissociation and reassociation is connected with changes of the fluorescence intensity at 600 nm, which can be explained by differences in opalescence of the solutions of these two isoforms. The solutions of longer tubule

  5. Structural stability of the smectite-doped lanthanum under high pressures and high temperatures

    International Nuclear Information System (INIS)

    Stefani, Vicente Fiorini

    2012-01-01

    Smectites are phyllosilicates that have a tetrahedron: octahedron structure ratio of 2:1, with high cation exchange capacity (CEC) in the interlayers. For these and other features, smectites have been used in many parts of the world as secondary barriers with the goal of containing a possible leak of radioactive elements in final disposal facilities for radioactive waste through cation exchange. Our aim in this work is to reach the cation exchange in calcium montmorillonite (smectite dioctahedral) by lanthanum to simulate trivalent radionuclides and to study the stability of this structure under high pressure and high temperature. To achieve high pressure it was used two different technique: DAC (Diamond Anvil Cell), achieving pressures up to 12GPa at room temperature and hydraulic press with a toroidal chamber profile to achieve pressures up to 7,7GPa and temperatures up to 900 degree C. The heating is achieved simultaneously by an electric system coupled in the hydraulic press. The outcomes show that the smectite structure doped with lanthanum remains stable under 12GPa at room temperature and 2.5GPa at 200 degree C. However, above 300 degree C at 2.5GPa the structure becomes a new phase of muscovite-like, rich of La, where it loses its interlayer water and turns out to be irreversible. Furthermore, it is important to point out that the higher temperature the better ordered is the structure and it is still stable under 7.7GPa and 900 degree C. Moreover, after all experiments the structure continues being dioctahedral. The new phase of muscovite-like, rich of La, in contact with a calcium solution remains partially unchanged, whereas the other part returns to the original structure (montmorillonite-Ca). The following analyses were performed: X-ray diffraction (XRD) for evaluating the spatial structure; Fourier transform infrared spectroscopy (FTIR) for getting information about the vibrational modes; scanning electron microscopy with dispersive Xray spectroscopy

  6. Enhancing the crumb rubber modified asphalt’s storage stability through the control of its internal network structure

    Directory of Open Access Journals (Sweden)

    Mohyeldin Ragab

    2018-01-01

    Full Text Available The current research investigated the effect of the internal network structure developed in the crumb rubber modified asphalt (CRMA on its storage stability. The authors investigated the influence of asphalt-crumb rubber modifier (CRM interaction parameters (interaction time, interaction speed, and interaction temperature on the development of the internal network structure in CRMA. The authors found that the existence of three dimensional (3D network structures in the CRMA enhanced its storage stability. Fourier Transform Infrared (FTIR Spectroscopy was utilized to determine the nature of CRM components responsible for the development of 3D network structure in the liquid phase of CRMA. This was achieved by monitoring the changes of the IR distinctive peaks in the CRMA liquid phase. Dissolution tests and thermo gravimetric analysis (TGA were carried out on the extracted CRM after interaction with asphalt to determine the role of CRM dissolved amounts and released components on the development of 3D network structure in CRMA. The asphalt-CRM interaction parameters were found to be essential to induce the formation of the 3D network structure within the liquid phase of the CRMA through controlling the swelling, dissolution and release of CRM components into the asphalt liquid phase. The existence of 3D network structure in the CRMA had determinant impact on the enhancement of its storage stability. Keywords: Storage stability, Three dimensional (3D network, Crumb rubber modified asphalt

  7. Thermal Flow and Structure Stability Analyses of High Power Waterload for 2450 MHz microwave applications

    International Nuclear Information System (INIS)

    Seon, S. W.; Kim, H. J.; Wang, S. J.; Kim, J. N.

    2016-01-01

    This study is focused on analyzing the internal flow dynamics in the waterload by changing the inlet and outlet locations and adding guide pipeline to the inlet. The internal flow field simulation is done with CFX tool to compare the water flow velocity and temperature distributions in the waterload. The waterload absorbs RF power, converts it to thermal power, and increases the water temperature so that heat could be quickly removed by the water injection. And it is installed on the end of transmission line and is used to absorb reflected RF power. High power waterload with cone-shaped quartz is designed for 10-30 kW power handling at 2450 MHz microwave system. The thermal flow and structural stability analysis for the 2450 MHz waterload is done using ANSYS and the results are presented in this work. Relocation of the inlet and addition of the guide pipeline in the simulation shows a decrease in the localized maximum water temperature and increased water velocity around the heat source. It is also shown that the modified waterload is structurally more stable

  8. Stability, electrochemical behaviors and electronic structures of iron hydroxyl-phosphate

    Energy Technology Data Exchange (ETDEWEB)

    Wang Zhongli; Sun Shaorui; Li Fan; Chen Ge [College of Environmental and Energy Engineering, Beijing University of Technology, Pingleyuan 100, Chaoyang District, Beijing 100022 (China); Xia Dingguo, E-mail: dgxia@bjut.edu.cn [College of Environmental and Energy Engineering, Beijing University of Technology, Pingleyuan 100, Chaoyang District, Beijing 100022 (China); Zhao Ting; Chu Wangsheng [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); University of Science and Technology of China, Hefei 230026 (China); Wu Ziyu, E-mail: wuzy@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); University of Science and Technology of China, Hefei 230026 (China)

    2010-09-01

    Iron hydroxyl-phosphate with a uniform spherical particle size of around 1 {mu}m, a compound of the type Fe{sub 2-y}{open_square}{sub y}(PO{sub 4})(OH){sub 3-3y}(H{sub 2}O){sub 3y-2} (where {open_square} represents a vacancy), has been synthesized by hydrothermal methods. The particles are composed of spheres of diameter <100 nm. The compound exhibits good electrochemical performance, with reversible capacities of around 150 mAh g{sup -1} and 120 mAh g{sup -1} at current densities of 170 mA g{sup -1} and 680 mA g{sup -1}, respectively. The stability of crystal structure of this material was studied by TGA and XRD which show that the material remains stable at least up to the temperature 200 deg. C. Investigation of the electronic structure of the iron hydroxyl-phosphate by GGA + U calculation has indicated that it has a better electronic conductivity than LiFePO{sub 4}.

  9. Structure of yttria stabilized zirconia beads produced by gel supported precipitation

    International Nuclear Information System (INIS)

    Walter, M.; Somers, J.; Fernandez, A.; Specht, Eliot D.; Hunn, John D.; Boulet, P.; Denecke, M. A.; Gobel, C.

    2007-01-01

    Yttria stabilized zirconia (YSZ) is one of the inert matrix candidates selected for investigation as host matrix for minor actinide (MA) transmutation. The structural properties of (Zr0.84, Y0.16)O1.92 beads prepared by a sol-gel method for MA infiltration, are characterized as calcined (850 C) and sintered (1,600 C) beads. The calcined YSZ beads are fine-grained and homogenous over the entire sphere and are surrounded by a uniform outer layer of approximately 30 (micro)m thickness. After sintering at 1,600 C, the beads are compacted to 51% of their initial volume and exhibit a granular structure. The thermal expansion is nearly linear for the calcined material, but shows a parabolic behavior for the sintered (1,400 C) beads. In addition, the thermal expansion of calcined material is 20-25% less than after sintering. During heating up to 1,400 C, two processes can be distinguished. The first occurs between 900 and 1,000 C and is related to an increase in unit cell order. The second process involves grain-growth of the less crystalline calcined material between 1,100 and 1,300 C. These results have implications for preparation of YSZ and its use as an inert MA transmutation matrix

  10. Formation, stability and crystal structure of the {sigma} phase in Mo-Re-Si alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bei, H., E-mail: beih@ornl.gov [Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge, TN 37831 (United States); Yang, Y., E-mail: ying.yang@computherm.com [CompuTherm LLC, Madison, WI 53719 (United States); Viswanathan, G.B. [Air Force Research Laboratory, Wright-Patterson AFB, OH 45433 (United States); Rawn, C.J.; George, E.P. [Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge, TN 37831 (United States)] [University of Tennessee, Department of Materials Science and Engineering, Knoxville, TN 37996 (United States); Tiley, J. [Air Force Research Laboratory, Wright-Patterson AFB, OH 45433 (United States); Chang, Y.A. [CompuTherm LLC, Madison, WI 53719 (United States)] [University of Wisconsin-Madison, Madison, WI 53705 (United States)

    2010-10-15

    The formation, stability and crystal structure of the {sigma} phase in Mo-Re-Si alloys were investigated. Guided by thermodynamic calculations, six critically selected alloys were arc melted and annealed at 1600 deg. C for 150 h. Their as-cast and annealed microstructures, including phase fractions and distributions, the compositions of the constituent phases and the crystal structure of the {sigma} phase were analyzed by thermodynamic modeling coupled with experimental characterization by scanning electron microscopy, electron probe microanalysis, X-ray diffraction and transmission electron microscopy. Two key findings resulted from this work. One is the large homogeneity range of the {sigma} phase region, extending from binary Mo-Re to ternary Mo-Re-Si. The other is the formation of a {sigma} phase in Mo-rich alloys either through the peritectic reaction of liquid + Mo{sub ss} {yields} {sigma} or primary solidification. These findings are important in understanding the effects of Re on the microstructure and providing guidance on the design of Mo-Re-Si alloys.

  11. Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein.

    Science.gov (United States)

    Perugino, Giuseppe; Miggiano, Riccardo; Serpe, Mario; Vettone, Antonella; Valenti, Anna; Lahiri, Samarpita; Rossi, Franca; Rossi, Mosè; Rizzi, Menico; Ciaramella, Maria

    2015-10-15

    Alkylated DNA-protein alkyltransferases repair alkylated DNA bases, which are among the most common DNA lesions, and are evolutionary conserved, from prokaryotes to higher eukaryotes. The human ortholog, hAGT, is involved in resistance to alkylating chemotherapy drugs. We report here on the alkylated DNA-protein alkyltransferase, SsOGT, from an archaeal species living at high temperature, a condition that enhances the harmful effect of DNA alkylation. The exceptionally high stability of SsOGT gave us the unique opportunity to perform structural and biochemical analysis of a protein of this class in its post-reaction form. This analysis, along with those performed on SsOGT in its ligand-free and DNA-bound forms, provides insights in the structure-function relationships of the protein before, during and after DNA repair, suggesting a molecular basis for DNA recognition, catalytic activity and protein post-reaction fate, and giving hints on the mechanism of alkylation-induced inactivation of this class of proteins. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  12. Geometric stability and electronic structure of infinite and finite phosphorus atomic chains

    International Nuclear Information System (INIS)

    Qiao Jingsi; Zhou Linwei; Ji Wei

    2017-01-01

    One-dimensional mono- or few-atomic chains were successfully fabricated in a variety of two-dimensional materials, like graphene, BN, and transition metal dichalcogenides, which exhibit striking transport and mechanical properties. However, atomic chains of black phosphorus (BP), an emerging electronic and optoelectronic material, is yet to be investigated. Here, we comprehensively considered the geometry stability of six categories of infinite BP atomic chains, transitions among them, and their electronic structures. These categories include mono- and dual-atomic linear, armchair, and zigzag chains. Each zigzag chain was found to be the most stable in each category with the same chain width. The mono-atomic zigzag chain was predicted as a Dirac semi-metal. In addition, we proposed prototype structures of suspended and supported finite atomic chains. It was found that the zigzag chain is, again, the most stable form and could be transferred from mono-atomic armchair chains. An orientation dependence was revealed for supported armchair chains that they prefer an angle of roughly 35 ° –37 ° perpendicular to the BP edge, corresponding to the [110] direction of the substrate BP sheet. These results may promote successive research on mono- or few-atomic chains of BP and other two-dimensional materials for unveiling their unexplored physical properties. (special topic)

  13. Thermal Flow and Structure Stability Analyses of High Power Waterload for 2450 MHz microwave applications

    Energy Technology Data Exchange (ETDEWEB)

    Seon, S. W.; Kim, H. J.; Wang, S. J. [National Fusion Research Institute, Daejeon (Korea, Republic of); Kim, J. N. [KRF, Anyang (Korea, Republic of)

    2016-05-15

    This study is focused on analyzing the internal flow dynamics in the waterload by changing the inlet and outlet locations and adding guide pipeline to the inlet. The internal flow field simulation is done with CFX tool to compare the water flow velocity and temperature distributions in the waterload. The waterload absorbs RF power, converts it to thermal power, and increases the water temperature so that heat could be quickly removed by the water injection. And it is installed on the end of transmission line and is used to absorb reflected RF power. High power waterload with cone-shaped quartz is designed for 10-30 kW power handling at 2450 MHz microwave system. The thermal flow and structural stability analysis for the 2450 MHz waterload is done using ANSYS and the results are presented in this work. Relocation of the inlet and addition of the guide pipeline in the simulation shows a decrease in the localized maximum water temperature and increased water velocity around the heat source. It is also shown that the modified waterload is structurally more stable.

  14. Natively Unfolded FG Repeats Stabilize the Structure of the Nuclear Pore Complex.

    Science.gov (United States)

    Onischenko, Evgeny; Tang, Jeffrey H; Andersen, Kasper R; Knockenhauer, Kevin E; Vallotton, Pascal; Derrer, Carina P; Kralt, Annemarie; Mugler, Christopher F; Chan, Leon Y; Schwartz, Thomas U; Weis, Karsten

    2017-11-02

    Nuclear pore complexes (NPCs) are ∼100 MDa transport channels assembled from multiple copies of ∼30 nucleoporins (Nups). One-third of these Nups contain phenylalanine-glycine (FG)-rich repeats, forming a diffusion barrier, which is selectively permeable for nuclear transport receptors that interact with these repeats. Here, we identify an additional function of FG repeats in the structure and biogenesis of the yeast NPC. We demonstrate that GLFG-containing FG repeats directly bind to multiple scaffold Nups in vitro and act as NPC-targeting determinants in vivo. Furthermore, we show that the GLFG repeats of Nup116 function in a redundant manner with Nup188, a nonessential scaffold Nup, to stabilize critical interactions within the NPC scaffold needed for late steps of NPC assembly. Our results reveal a previously unanticipated structural role for natively unfolded GLFG repeats as Velcro to link NPC subcomplexes and thus add a new layer of connections to current models of the NPC architecture. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. QUASI-STATIC MODEL OF MAGNETICALLY COLLIMATED JETS AND RADIO LOBES. II. JET STRUCTURE AND STABILITY

    Energy Technology Data Exchange (ETDEWEB)

    Colgate, Stirling A.; Li, Hui [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Fowler, T. Kenneth [University of California, Berkeley, CA 94720 (United States); Hooper, E. Bickford [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); McClenaghan, Joseph; Lin, Zhihong [University of California, Irvine, CA 92697 (United States)

    2015-11-10

    This is the second in a series of companion papers showing that when an efficient dynamo can be maintained by accretion disks around supermassive black holes in active galactic nuclei, it can lead to the formation of a powerful, magnetically driven, and mediated helix that could explain both the observed radio jet/lobe structures and ultimately the enormous power inferred from the observed ultrahigh-energy cosmic rays. In the first paper, we showed self-consistently that minimizing viscous dissipation in the disk naturally leads to jets of maximum power with boundary conditions known to yield jets as a low-density, magnetically collimated tower, consistent with observational constraints of wire-like currents at distances far from the black hole. In this paper we show that these magnetic towers remain collimated as they grow in length at nonrelativistic velocities. Differences with relativistic jet models are explained by three-dimensional magnetic structures derived from a detailed examination of stability properties of the tower model, including a broad diffuse pinch with current profiles predicted by a detailed jet solution outside the collimated central column treated as an electric circuit. We justify our model in part by the derived jet dimensions in reasonable agreement with observations. Using these jet properties, we also discuss the implications for relativistic particle acceleration in nonrelativistically moving jets. The appendices justify the low jet densities yielding our results and speculate how to reconcile our nonrelativistic treatment with general relativistic MHD simulations.

  16. Superior facet syndrome

    International Nuclear Information System (INIS)

    Kubo, Yoshichika; Igarashi, Seishi; Koyama, Tsunemaro

    1985-01-01

    Sciatica caused by root entrapment in the lateral recess was named superior facet syndrome by Epstein in 1972. Few reports on this subject based on large numbers of cases have been documented to date. Of the patients with sciatica, 32 patients were diagnosed to have root entrapment at the lateral recess L 5 or/and S 1 lumbar spine. Out of 32 patients, 20 patients were operated on and the lateral entrapment was recognized in all of surgical cases. Neuroradiological findings, especially of metrizamide CT (met. CT), were documented in detail. Thirty two patients were classified in three types according to radiological findings. They were congenital or developmental, degenerative, and combined type, respectively, Fourteen cases belonged to the congenital type, 13 to the degenerative and 5 to the combined type. Each group had the mean ages of 23.4, 53.8, and 36.8 years old, respectively. Of 32 cases the entrapment occured in 47 L 5 roots and 11 S 1 roots. There was no remarkable laterality. In operation the unroofing of the lateral recess were done and the sciatica subsided postoperatively in all of surgical cases. Met. CT revealed extreme medial protrusion of the superior articular joint in 18 of 24 cases(75%) and none filling of the root in the lateral recess in 21 of 24 cases (87.5%). In the degenerative type, met. CT showed some degenerative changes that were hypertrophy or deformity of the articular joints and spur formation of the vertebral body. In contrast to met. CT, metrizamide myelography revealed only slight changes, which were poor filling of the root before it turned out the pedicle of lateral compression of the root. In plain films or lumbar spine articular joints at Lsub(4/5) were formed in coronal plane in 69% of cases of the L 5 root entrapment. Met. CT using ReView technique was of great diagnostic value in superior facet syndrome. (author)

  17. Structure and Stability of High-Pressure Dolomite with Implications for the Earth's Deep Carbon Cycle

    Science.gov (United States)

    Solomatova, N. V.; Asimow, P. D.

    2014-12-01

    Carbon is subducted into the mantle primarily in the form of metasomatically calcium-enriched basaltic rock, calcified serpentinites and carbonaceous ooze. The fate of these carbonates in subduction zones is not well understood. End-member CaMg(CO3)2 dolomite typically breaks down into two carbonates at 2-7 GPa, which may further decompose to oxides and CO2-bearing fluid. However, high-pressure X-ray diffraction experiments have recently shown that the presence of iron may be sufficient to stabilize dolomite I to high pressures, allowing the transformation to dolomite II at 17 GPa and subsequently to dolomite III at 35 GPa [1][2]. Such phases may be a principal host for deeply subducted carbon. The structure and equation of state of these high-pressure phases is debated and the effect of varying concentrations of iron is unknown, creating a need for theoretical calculations. Here we compare calculated dolomite structures to experimentally observed phases. Using the Vienna ab-initio simulation package (VASP) interfaced with a genetic algorithm that predicts crystal structures (USPEX), a monoclinic phase with space group 5 ("dolomite sg5") was found for pure end-member dolomite. Dolomite sg5 has a lower energy than reported dolomite structures and an equation of state that resembles that of dolomite III. It is possible that dolomite sg5 is not achieved experimentally due to a large energy barrier and a correspondingly large required volume drop, resulting in the transformation to metastable dolomite II. Due to the complex energy landscape for candidate high-pressure dolomite structures, it is likely that several competing polymorphs exist. Determining the behavior of high-pressure Ca-Mg-Fe(-Mn) dolomite phases in subduction environments is critical for our understanding of the Earth's deep carbon cycle and supercell calculations with Fe substitution are in progress. [1] Mao, Z., Armentrout, M., Rainey, E., Manning, C. E., Dera, P., Prakapenka, V. B., and Kavner, A

  18. Solidified structure and leaching properties of metallurgical wastewater treatment sludge after solidification/stabilization process.

    Science.gov (United States)

    Radovanović, Dragana Đ; Kamberović, Željko J; Korać, Marija S; Rogan, Jelena R

    2016-01-01

    The presented study investigates solidification/stabilization process of hazardous heavy metals/arsenic sludge, generated after the treatment of the wastewater from a primary copper smelter. Fly ash and fly ash with addition of hydrated lime and Portland composite cement were studied as potential binders. The effectiveness of the process was evaluated by unconfined compressive strength (UCS) testing, leaching tests (EN 12457-4 and TCLP) and acid neutralization capacity (ANC) test. It was found that introduction of cement into the systems increased the UCS, led to reduced leaching of Cu, Ni and Zn, but had a negative effect on the ANC. Gradual addition of lime resulted in decreased UCS, significant reduction of metals leaching and high ANC, due to the excess of lime that remained unreacted in pozzolanic reaction. Stabilization of more than 99% of heavy metals and 90% of arsenic has been achieved. All the samples had UCS above required value for safe disposal. In addition to standard leaching tests, solidificates were exposed to atmospheric conditions during one year in order to determine the actual leaching level of metals in real environment. It can be concluded that the EN 12457-4 test is more similar to the real environmental conditions, while the TCLP test highly exaggerates the leaching of metals. The paper also presents results of differential acid neutralization (d-AN) analysis compared with mineralogical study done by scanning electron microscopy and X-ray diffraction analysis. The d-AN coupled with Eh-pH (Pourbaix) diagrams were proven to be a new effective method for analysis of amorphous solidified structure.

  19. Structural fluctuations and orientational glass of levoglucosan--High stability against ordering and absence of structural glass.

    Science.gov (United States)

    Tombari, Elpidio; Johari, G P

    2015-03-14

    To investigate whether a non-exponential relaxation always indicates 2-4 nm-size regions of dynamic heterogeneity, we studied the kinetic freezing and unfreezing of structural fluctuations involving the rotational modes in orientationally disordered crystal (ODIC) of levoglucosan by calorimetry. The heat capacity, Cp, of levoglucosan measured over the 203 K-463 K range shows that its low-temperature, orientationally ordered crystal (ORC) transforms to ODIC phase on heating, which then melts to a low viscosity liquid. On cooling, the melt transforms to the ODIC which then does not transform to the ORC. Instead, the ODIC supercools. Fluctuations resulting from hindered (random) rotations of levoglucosan molecules confined to the lattice sites and from their conformational changes become progressively slower on cooling and an orientational glass (O-G) forms showing the sigmoid shape decrease in Cp characteristic of structural arrest like that of a glass. On heating the O-G state, rotational fluctuations begin to contribute to Cp at To-g of 247.8 K and there is an overshoot in Cp and thermal hysteresis (characteristic of physical ageing) in the temperature range of 230-260 K. The non-exponential relaxation parameter, β(cal), determined by fitting the Cp data to a non-exponential, nonlinear model for relaxation of a glass is 0.60, which is similar to β(cal) found for polymers, molecular liquids, and metal-alloy melts in which Brownian diffusion occurs. Such β(cal) glass formation, but its value of 0.60 for ODIC levoglucosan, in which Brownian diffusion does not occur, would not indicate such domains. Despite the lack of Brownian diffusion, we discuss these findings in the potential energy landscape paradigm. Levoglucosan melt, which is believed to vitrify and to stabilize a protein's disordered structure, did not supercool even at 200 K/min cooling rate. The findings have consequences for reports on the dielectric relaxation studies that indicated that levoglucosan

  20. Ab initio study on stacking sequences, free energy, dynamical stability and potential energy surfaces of graphite structures

    International Nuclear Information System (INIS)

    Anees, P; Valsakumar, M C; Chandra, Sharat; Panigrahi, B K

    2014-01-01

    Ab initio simulations have been performed to study the structure, energetics and stability of several plausible stacking sequences in graphite. These calculations suggest that in addition to the standard structures, graphite can also exist in AA-simple hexagonal, AB-orthorhombic and ABC-hexagonal type stacking. The free energy difference between these structures is very small (∼1 meV/atom), and hence all the structures can coexist from purely energetic considerations. Calculated x-ray diffraction patterns are similar to those of the standard structures for 2θ ⩽ 70°. Shear elastic constant C 44 is negative in AA-simple hexagonal, AB-orthorhombic and ABC-hexagonal structures, suggesting that these structures are mechanically unstable. Phonon dispersions show that the frequencies of some modes along the Γ–A direction in the Brillouin zone are imaginary in all of the new structures, implying that these structures are dynamically unstable. Incorporation of zero point vibrational energy via the quasi-harmonic approximation does not result in the restoration of dynamical stability. Potential energy surfaces for the unstable normal modes are seen to have the topography of a potential hill for all the new structures, confirming that all of the new structures are inherently unstable. The fact that the potential energy surface is not in the form of a double well implies that the structures are linearly as well as globally unstable. (paper)

  1. Inkjet Printing of Functional and Structural Materials: Fluid Property Requirements, Feature Stability, and Resolution

    Science.gov (United States)

    Derby, Brian

    2010-08-01

    Inkjet printing is viewed as a versatile manufacturing tool for applications in materials fabrication in addition to its traditional role in graphics output and marking. The unifying feature in all these applications is the dispensing and precise positioning of very small volumes of fluid (1-100 picoliters) on a substrate before transformation to a solid. The application of inkjet printing to the fabrication of structures for structural or functional materials applications requires an understanding as to how the physical processes that operate during inkjet printing interact with the properties of the fluid precursors used. Here we review the current state of understanding of the mechanisms of drop formation and how this defines the fluid properties that are required for a given liquid to be printable. The interactions between individual drops and the substrate as well as between adjacent drops are important in defining the resolution and accuracy of printed objects. Pattern resolution is limited by the extent to which a liquid drop spreads on a substrate and how spreading changes with the overlap of adjacent drops to form continuous features. There are clearly defined upper and lower bounds to the width of a printed continuous line, which can be defined in terms of materials and process variables. Finer-resolution features can be achieved through appropriate patterning and structuring of the substrate prior to printing, which is essential if polymeric semiconducting devices are to be fabricated. Low advancing and receding contact angles promote printed line stability but are also more prone to solute segregation or “coffee staining” on drying.

  2. Limited gene dispersal and spatial genetic structure as stabilizing factors in an ant-plant mutualism.

    Science.gov (United States)

    Malé, P-J G; Leroy, C; Humblot, P; Dejean, A; Quilichini, A; Orivel, J

    2016-12-01

    Comparative studies of the population genetics of closely associated species are necessary to properly understand the evolution of these relationships because gene flow between populations affects the partners' evolutionary potential at the local scale. As a consequence (at least for antagonistic interactions), asymmetries in the strength of the genetic structures of the partner populations can result in one partner having a co-evolutionary advantage. Here, we assess the population genetic structure of partners engaged in a species-specific and obligatory mutualism: the Neotropical ant-plant, Hirtella physophora, and its ant associate, Allomerus decemarticulatus. Although the ant cannot complete its life cycle elsewhere than on H. physophora and the plant cannot live for long without the protection provided by A. decemarticulatus, these species also have antagonistic interactions: the ants have been shown to benefit from castrating their host plant and the plant is able to retaliate against too virulent ant colonies. We found similar short dispersal distances for both partners, resulting in the local transmission of the association and, thus, inbred populations in which too virulent castrating ants face the risk of local extinction due to the absence of H. physophora offspring. On the other hand, we show that the plant populations probably experienced greater gene flow than did the ant populations, thus enhancing the evolutionary potential of the plants. We conclude that such levels of spatial structure in the partners' populations can increase the stability of the mutualistic relationship. Indeed, the local transmission of the association enables partial alignments of the partners' interests, and population connectivity allows the plant retaliation mechanisms to be locally adapted to the castration behaviour of their symbionts. © 2016 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2016 European Society For Evolutionary Biology.

  3. Structure and stability of human hemoglobin microparticles prepared with a double emulsion technique.

    Science.gov (United States)

    Cedrati, N; Bonneaux, F; Labrude, P; Maincent, P

    1997-09-01

    Hemoglobin solutions can be used as blood substitutes but they present some disadvantages often due to their rapid removal from the bloodstream after injection. A possible way of overcoming this problem is to trap hemoglobin inside particles. This study deals with the preparation, structure and stability of poly(lactic acid) and ethylcellulose microparticles containing human hemoglobin obtained with a double emulsion technique. We investigated the manufacturing process of these particles in order to increase the encapsulation ratio of hemoglobin. For this purpose, some parameters involved in the procedure were optimized, such as hemoglobin concentration and duration of stirring: hemoglobin loading increases with its concentration in the preparation and well-defined stirring time avoids a leakage of hemoglobin. Hemoglobin concentration, surfactant concentration i.e. poly(vinylic alcohol), amounts of polymer and solvent (methylene chloride), duration and speed of stirring. The microparticles were prepared with satisfactory yields (60 to 73%). They were spherical and their mean size was lower than 200 microns. The functional properties of entrapped hemoglobin were studied. The encapsulation did not alter hemoglobin and the oxygen affinity of the hemoglobin remained unmodified (P50 about 13.9 mm Hg in a Bis-Tris buffer pH 7.4 at 37 degrees C). Moreover, only low levels of methemoglobin could be detected (less than 3%). Besides, about 90% of encapsulated hemoglobin could be released from microparticles, with a speed related to the internal structure of the particles. The prepared microparticles were stored during one month at +4 degrees C. No degradation of the particle structure occurred and the functional properties of hemoglobin were preserved. These particles could provide a potential source of oxygen in the field of biotechnologies but any application for a transfusional purpose would first require a drastic reduction in particle size.

  4. Structural properties, deformation behavior and thermal stability of martensitic Ti-Nb alloys

    Energy Technology Data Exchange (ETDEWEB)

    Boenisch, Matthias

    2016-06-10

    Ti-Nb alloys are characterized by a diverse metallurgy which allows obtaining a wide palette of microstructural configurations and physical properties via careful selection of chemical composition, heat treatment and mechanical processing routes. The present work aims to expand the current state of knowledge about martensite forming Ti-Nb alloys by studying 15 binary Ti-c{sub Nb}Nb (9 wt.% ≤ c{sub Nb} ≤ 44.5 wt.%) alloy formulations in terms of their structural and mechanical properties, as well as their thermal stability. The crystal structures of the martensitic phases, α{sup '} and α'', and the influence of the Nb content on the lattice (Bain) strain and on the volume change related to the β → α{sup '}/α'' martensitic transformations are analyzed on the basis of Rietveld-refinements. The magnitude of the shuffle component of the β → α{sup '}/α'' martensitic transformations is quantified in relation to the chemical composition. The largest transformation lattice strains are operative in Nb-lean alloys. Depending on the composition, both a volume dilatation and contraction are encountered and the volume change may influence whether hexagonal martensite α{sup '} or orthorhombic martensite α'' forms from β upon quenching. The mechanical properties and the deformation behavior of martensitic Ti-Nb alloys are studied by complementary methods including monotonic and cyclic uniaxial compression, nanoindentation, microhardness and impulse excitation technique. The results show that the Nb content strongly influences the mechanical properties of martensitic Ti-Nb alloys. The elastic moduli, hardness and strength are minimal in the vicinity of the limiting compositions bounding the interval in which orthorhombic martensite α'' forms by quenching. Uniaxial cyclic compressive testing demonstrates that the elastic properties of strained samples are different than those of unstrained ones

  5. The Effects of Molecular Crowding on the Structure and Stability of G-Quadruplexes with an Abasic Site

    Science.gov (United States)

    Fujimoto, Takeshi; Nakano, Shu-ichi; Miyoshi, Daisuke; Sugimoto, Naoki

    2011-01-01

    Both cellular environmental factors and chemical modifications critically affect the properties of nucleic acids. However, the structure and stability of DNA containing abasic sites under cell-mimicking molecular crowding conditions remain unclear. Here, we investigated the molecular crowding effects on the structure and stability of the G-quadruplexes including a single abasic site. Structural analysis by circular dichroism showed that molecular crowding by PEG200 did not affect the topology of the G-quadruplex structure with or without an abasic site. Thermodynamic analysis further demonstrated that the degree of stabilization of the G-quadruplex by molecular crowding decreased with substitution of an abasic site for a single guanine. Notably, we found that the molecular crowding effects on the enthalpy change for G-quadruplex formation had a linear relationship with the abasic site effects depending on its position. These results are useful for predicting the structure and stability of G-quadruplexes with abasic sites in the cell-mimicking conditions. PMID:21949901

  6. Effects of time delays on stability and Hopf bifurcation in a fractional ring-structured network with arbitrary neurons

    Science.gov (United States)

    Huang, Chengdai; Cao, Jinde; Xiao, Min; Alsaedi, Ahmed; Hayat, Tasawar

    2018-04-01

    This paper is comprehensively concerned with the dynamics of a class of high-dimension fractional ring-structured neural networks with multiple time delays. Based on the associated characteristic equation, the sum of time delays is regarded as the bifurcation parameter, and some explicit conditions for describing delay-dependent stability and emergence of Hopf bifurcation of such networks are derived. It reveals that the stability and bifurcation heavily relies on the sum of time delays for the proposed networks, and the stability performance of such networks can be markedly improved by selecting carefully the sum of time delays. Moreover, it is further displayed that both the order and the number of neurons can extremely influence the stability and bifurcation of such networks. The obtained criteria enormously generalize and improve the existing work. Finally, numerical examples are presented to verify the efficiency of the theoretical results.

  7. Stability Results, Almost Global Generalized Beltrami Fields and Applications to Vortex Structures in the Euler Equations

    Science.gov (United States)

    Enciso, Alberto; Poyato, David; Soler, Juan

    2018-05-01

    Strong Beltrami fields, that is, vector fields in three dimensions whose curl is the product of the field itself by a constant factor, have long played a key role in fluid mechanics and magnetohydrodynamics. In particular, they are the kind of stationary solutions of the Euler equations where one has been able to show the existence of vortex structures (vortex tubes and vortex lines) of arbitrarily complicated topology. On the contrary, there are very few results about the existence of generalized Beltrami fields, that is, divergence-free fields whose curl is the field times a non-constant function. In fact, generalized Beltrami fields (which are also stationary solutions to the Euler equations) have been recently shown to be rare, in the sense that for "most" proportionality factors there are no nontrivial Beltrami fields of high enough regularity (e.g., of class {C^{6,α}}), not even locally. Our objective in this work is to show that, nevertheless, there are "many" Beltrami fields with non-constant factor, even realizing arbitrarily complicated vortex structures. This fact is relevant in the study of turbulent configurations. The core results are an "almost global" stability theorem for strong Beltrami fields, which ensures that a global strong Beltrami field with suitable decay at infinity can be perturbed to get "many" Beltrami fields with non-constant factor of arbitrarily high regularity and defined in the exterior of an arbitrarily small ball, and a "local" stability theorem for generalized Beltrami fields, which is an analogous perturbative result which is valid for any kind of Beltrami field (not just with a constant factor) but only applies to small enough domains. The proof relies on an iterative scheme of Grad-Rubin type. For this purpose, we study the Neumann problem for the inhomogeneous Beltrami equation in exterior domains via a boundary integral equation method and we obtain Hölder estimates, a sharp decay at infinity and some compactness

  8. Information Superiority through Data Warehousing

    National Research Council Canada - National Science Library

    Warner, Neil

    2001-01-01

    .... A precursor to a knowledge edge is Information Superiority. Within most current Command Support Systems minimal integration and fusion of data is undertaken to provide the basis of information superiority...

  9. Innovative Ingredients and Emerging Technologies for Controlling Ice Recrystallization, Texture, and Structure Stability in Frozen Dairy Desserts: A Review.

    Science.gov (United States)

    Soukoulis, Christos; Fisk, Ian

    2016-11-17

    Over the past decade, ice cream manufacturers have developed a strong understanding of the functionality of key ingredients and processing, developing effective explanations for the link between structure forming agents, stability mechanisms, and perceived quality. Increasing demand for products perceived as healthier/more natural with minimal processing has identified a number of new tools to improve quality and storage stability of frozen dairy desserts. Ingredients such as dietary fiber, polysaccharides, prebiotics, alternate sweeteners, fat sources rich in unsaturated fatty acids and ice strucsturing proteins (ISP) have been successfully applied as cryoprotective, texturizing, and structuring agents. Emerging minimal processing technologies including hydrostatic pressure processing, ultrasonic or high pressure assisted freezing, low temperature extrusion and enzymatically induced biopolymers crosslinking have been evaluated for their ability to improve colloidal stability, texture and sensory quality. It is therefore timely for a comprehensive review.

  10. Longitudinal Long-term Magnetic Resonance Imaging and Clinical Follow-up After Single-Row Arthroscopic Rotator Cuff Repair: Clinical Superiority of Structural Tendon Integrity.

    Science.gov (United States)

    Heuberer, Philipp R; Smolen, Daniel; Pauzenberger, Leo; Plachel, Fabian; Salem, Sylvia; Laky, Brenda; Kriegleder, Bernhard; Anderl, Werner

    2017-05-01

    The number of arthroscopic rotator cuff surgeries is consistently increasing. Although generally considered successful, the reported number of retears after rotator cuff repair is substantial. Short-term clinical outcomes are reported to be rarely impaired by tendon retears, whereas to our knowledge, there is no study documenting long-term clinical outcomes and tendon integrity after arthroscopic rotator cuff repair. To investigate longitudinal long-term repair integrity and clinical outcomes after arthroscopic rotator cuff reconstruction. Case series; Level of evidence, 4. Thirty patients who underwent arthroscopic rotator cuff repair with suture anchors for a full-tendon full-thickness tear of the supraspinatus or a partial-tendon full-thickness tear of the infraspinatus were included. Two and 10 years after initial arthroscopic surgery, tendon integrity was analyzed using magnetic resonance imaging (MRI). The University of California, Los Angeles (UCLA) score and Constant score as well as subjective questions regarding satisfaction with the procedure and return to normal activity were used to evaluate short- and long-term outcomes. At the early MRI follow-up, 42% of patients showed a full-thickness rerupture, while 25% had a partial rerupture, and 33% of tendons remained intact. The 10-year MRI follow-up (129 ± 11 months) showed 50% with a total rerupture, while the other half of the tendons were partially reruptured (25%) or intact (25%). The UCLA and Constant scores significantly improved from preoperatively (UCLA total: 50.6% ± 20.2%; Constant total: 44.7 ± 10.5 points) to 2 years (UCLA total: 91.4% ± 16.0% [ P rotator cuff repair showed good clinical long-term results despite a high rate of retears. Nonetheless, intact tendons provided significantly superior clinical long-term outcomes, making the improvement of tendon healing and repair integrity important goals of future research efforts.

  11. Structure and stability of the spinach aquaporin SoPIP2;1 in detergent micelles and lipid membranes.

    Directory of Open Access Journals (Sweden)

    Inés Plasencia

    Full Text Available BACKGROUND: SoPIP2;1 constitutes one of the major integral proteins in spinach leaf plasma membranes and belongs to the aquaporin family. SoPIP2;1 is a highly permeable and selective water channel that has been successfully overexpressed and purified with high yields. In order to optimize reconstitution of the purified protein into biomimetic systems, we have here for the first time characterized the structural stability of SoPIP2;1. METHODOLOGY/PRINCIPAL FINDING: We have characterized the protein structural stability after purification and after reconstitution into detergent micelles and proteoliposomes using circular dichroism and fluorescence spectroscopy techniques. The structure of SoPIP2;1 was analyzed either with the protein solubilized with octyl-β-D-glucopyranoside (OG or reconstituted into lipid membranes formed by E. coli lipids, diphytanoylphosphatidylcholine (DPhPC, or reconstituted into lipid membranes formed from mixtures of 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPE, 1-palmitoyl-2oleoyl-phosphatidylethanolamine (POPE, 1-palmitoyl-2-oleoyl-phosphatidylserine (POPS, and ergosterol. Generally, SoPIP2;1 secondary structure was found to be predominantly α-helical in accordance with crystallographic data. The protein has a high thermal structural stability in detergent solutions, with an irreversible thermal unfolding occurring at a melting temperature of 58°C. Incorporation of the protein into lipid membranes increases the structural stability as evidenced by an increased melting temperature of up to 70°C. CONCLUSION/SIGNIFICANCE: The results of this study provide insights into SoPIP2;1 stability in various host membranes and suggest suitable choices of detergent and lipid composition for reconstitution of SoPIP2;1 into biomimetic membranes for biotechnological applications.

  12. Spray-Drying-Induced Assembly of Skeleton-Structured SnO2/Graphene Composite Spheres as Superior Anode Materials for High-Performance Lithium-Ion Batteries.

    Science.gov (United States)

    Liu, Dongdong; Kong, Zhen; Liu, Xuehua; Fu, Aiping; Wang, Yiqian; Guo, Yu-Guo; Guo, Peizhi; Li, Hongliang; Zhao, Xiu Song

    2018-01-24

    Three-dimensional skeleton-structured assemblies of graphene sheets decorated with SnO 2 nanocrystals are fabricated via a facile and large-scalable spray-drying-induced assembly process with commercial graphene oxide and SnO 2 sol as precursors. The influences of different parameters on the morphology, composition, structure, and electrochemical performances of the skeleton-structured SnO 2 /graphene composite spheres are studied by XRD, TGA, SEM, TEM, Raman spectroscopy, and N 2 adsorption-desorption techniques. Electrochemical properties of the composite spheres as the anode electrode for lithium-ion batteries are evaluated. After 120 cycles under a current density of 100 mA g -1 , the skeleton-structured SnO 2 /graphene spheres still display a specific discharge capacity of 1140 mAh g -1 . It is roughly 9.5 times larger than that of bare SnO 2 clusters. It could still retain a stable specific capacity of 775 mAh g -1 after 50 cycles under a high current density of 2000 mA g -1 , exhibiting extraordinary rate ability. The superconductivity of the graphene skeleton provides the pathway for electron transportation. The large pore volume deduced from the skeleton structure of the SnO 2 /graphene composite spheres increases the penetration of electrolyte and the diffusion of lithium ions and also significantly enhances the structural integrity by acting as a mechanical buffer.

  13. Strategies to curb structural changes of lithium/transition metal oxide cathode materials & the changes’ effects on thermal & cycling stability

    Science.gov (United States)

    Xiqian, Yu; Enyuan, Hu; Seongmin, Bak; Yong-Ning, Zhou; Xiao-Qing, Yang

    2016-01-01

    Structural transformation behaviors of several typical oxide cathode materials during a heating process are reviewed in detail to provide in-depth understanding of the key factors governing the thermal stability of these materials. We also discuss applying the information about heat induced structural evolution in the study of electrochemically induced structural changes. All these discussions are expected to provide valuable insights for designing oxide cathode materials with significantly improved structural stability for safe, long-life lithium ion batteries, as the safety of lithium-ion batteries is a critical issue; it is widely accepted that the thermal instability of the cathodes is one of the most critical factors in thermal runaway and related safety problems. Project supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies (Grant No. DE-SC0012704).

  14. First-principles study of structural stability and elastic property of pre-perovskite PbTiO3

    International Nuclear Information System (INIS)

    Liu Yong; Ni Li-Hong; Ren Zhao-Hui; Xu Gang; Li Xiang; Song Chen-Lu; Han Gao-Rong

    2012-01-01

    The structural stability and the elastic properties of a novel structure of lead titanate, which is named pre- perovskite PbTiO 3 (PP-PTO) and is constructed with TiO 6 octahedral columns arranged in a one-dimensional manner, are investigated by using first-principles calculations. PP-PTO is energetically unstable compared with conventional perovskite phases, however it is mechanically stable. The equilibrium transition pressures for changing from pre- perovskite to cubic and tetragonal phases are −0.5 GPa and −1.4 GPa, respectively, with first-order characteristics. Further, the differences in elastic properties between pre-perovskite and conventional perovskite phases are discussed for the covalent bonding network, which shows a highly anisotropic character in PP-PTO. This study provides a crucial insight into the structural stabilities of PP-PTO and conventional perovskite. (condensed matter: structural, mechanical, and thermal properties)

  15. Ab Initio Study of the Structure and Stability of High-Pressure Iron-Bearing Dolomite

    Science.gov (United States)

    Solomatova, N. V.; Asimow, P. D.

    2016-12-01

    Carbon is subducted into the mantle primarily in the form of metasomatically calcium-enriched basaltic rock, calcified serpentinites and carbonaceous ooze, all of which often contain dolomite. End-member CaMg(CO3)2 dolomite typically breaks down upon compression into two carbonates at 5-6 GPa in the temperature range of 800-1200 K [1]. However, high-pressure X-ray diffraction experiments have recently shown that the presence of iron may be sufficient to stabilize high-pressure dolomite over single-cation carbonates above 35 GPa [2,3]. The structure and equation of state of high-pressure dolomite phases have been debated, creating a need for theoretical calculations. Using density functional theory interfaced with a genetic algorithm that predicts crystal structures (USPEX), we have found a monoclinic phase with space group C2/c. The C2/c structure has a lower energy than previously reported dolomite structures at relevant pressures. It is possible that this phase is not achieved experimentally due to a large energy barrier and a correspondingly large required volume drop, resulting in the transformation to metastable dolomite II. We calculate the equation of state of trigonal dolomite, dolomite III and monoclinic C2/c dolomite to 80 GPa with 0 and 50 mol% CaFe(CO3)2 and compare their enthalpies to single-carbonate assemblages. Although end-member C2/c CaMg(CO3)2 dolomite is not stable relative to single-cation carbonates, C2/c CaMg0.5Fe0.5(CO3)2 is preferred over single-cation carbonates at high pressures. Thus, iron-bearing C2/c dolomite may be an important host phase for carbon in slabs subducted into the lower mantle. [1] Shirasaka, M., et al. (2002) American Mineralogist, 87, 922-930. [2] Mao, Z. et al. (2011) Geophysical Research Letters, 38. [3] Merlini, M. et al. (2012) Proceedings of the National Academy of Sciences, 109, 13509-13514.

  16. Higher stability in forest-atmosphere exchange observed in a structurally diverse forest.

    Science.gov (United States)

    Tamrakar, R.; Rayment, M.; Moyano, F.; Herbst, M.; Mund, M.; Knohl, A.

    2016-12-01

    We tested the hypothesis that structurally diverse forests have greater stability on exchange processes with the atmosphere compared to forests with less diverse structure. In a case study, we assessed how net ecosystem exchange (NEE) and normalized maximum assimilation (Amax) varied over time in two forests in Germany based on 11 years of continuous eddy flux measurements. The two sites differ in structure as well as in species composition: one (Hainich) is an unmanaged, uneven-aged and heterogeneous mixed beech forest (65% beech), the other (Leinefelde) is a managed, even-aged and homogeneous pure beech stand. The two selected forests are of similar mean ages (about 130 years old) and exposed to similar air temperatures and vapour pressure deficits. Even though Hainich (the unmanaged forest) received higher rainfall (720 ± 134 mm vs 599±166 mm), the soil water availability showed no significant difference between both sites. Based on detailed biomass inventory, trees in Hainich are well distributed in all diameter at breast height (dbh) classes (10 to 90cm dbh) whereas in Leinefelde (the managed forest) trees are mostly confined to dbh classes of 40 to 55 cm. Our results showed a strong difference in inter-annual variability of NEE, which was lower in the unmanaged than in the managed site (coefficient of variation (CV) of 0.13 and 0.27, respectively). The lowest NEE was observed in both sites in 2004, a mast year and a year after the strong summer drought of 2003. The variation in the inter-annual normalized maximum assimilation (Amax) was lower in Hainich (standard deviation of 2.5 compared to 3.9 µmol m-2 s-1). Also, the seasonal course of Amax differed between the two forests which could explain why the mixed forest was more affected by the late summer drought of 2003, despite showing a more conservative carbon budget than the pure stand in the long term. The interannual anomaly in Amax was correlated with fruit production, the latter being larger in

  17. Ultra-high resolution four dimensional geodetic imaging of engineered structures for stability assessment

    Science.gov (United States)

    Bawden, Gerald W.; Bond, Sandra; Podoski, J. H.; Kreylos, O.; Kellogg, L. H.

    2012-01-01

    We used ground-based Tripod LiDAR (T-LiDAR) to assess the stability of two engineered structures: a bridge spanning the San Andreas fault following the M6.0 Parkfield earthquake in Central California and a newly built coastal breakwater located at the Kaumālapa`u Harbor Lana'i, Hawaii. In the 10 weeks following the earthquake, we found that the surface under the bridge shifted 7.1 cm with an additional 2.6 cm of motion in the subsequent 13 weeks, which deflected the bridge's northern I-beam support 4.3 cm and 2.1 respectively; the bridge integrity remained intact. T-LiDAR imagery was collected after the completion of armored breakwater with 817 35-ton interlocking concrete armor units, Core-Locs®, in the summers of 2007, 2008 and 2010. We found a wide range of motion of individual Core-Locs, from a few centimeters to >110 cm along the ocean side of the breakwater, with lesser movement along the harbor side.

  18. Growth and micro structural studies on Yittria Stabilized Zirconia (YSZ) and Strontium Titanate (STO) buffer layers

    Energy Technology Data Exchange (ETDEWEB)

    Srinivas, S.; Bhatnagar, A.K. [Univ. of Hyderabad (India); Pinto, R. [Solid State Electronics Group, Bombay (India)] [and others

    1994-12-31

    Microstructure of Yittria Stabilized Zirconia (YSZ) and Strontium Titanate (STO) of radio frequency magnetron sputtered buffer layers was studied at various sputtering conditions on Si<100>, Sapphire and LaAlO{sub 3} <100> substrates. The effect of substrate temperatures upto 800 C and sputtering gas pressures in the range of 50 mTorr. of growth conditions was studied. The buffer layers of YSZ and STO showed a strong tendency for columnar structure with variation growth conditions. The buffer layers of YSZ and STO showed orientation. The tendency for columnar growth was observed above 15 mTorr sputtering gas pressure and at high substrate temperatures. Post annealing of these films in oxygen atmosphere reduced the oxygen deficiency and strain generated during growth of the films. Strong c-axis oriented superconducting YBa{sub 2}Cu{sub 9}O{sub 7-x} (YBCO) thin films were obtained on these buffer layers using pulsed laser ablation technique. YBCO films deposited on multilayers of YSZ and STO were shown to have better superconducting properties.

  19. Interfacial stability of CoSi2/Si structures grown by molecular beam epitaxy

    Science.gov (United States)

    George, T.; Fathauer, R. W.

    1992-01-01

    The stability of CoSi2/Si interfaces was examined in this study using columnar silicide structures grown on (111) Si substrates. In the first set of experiments, Co and Si were codeposited using MBE at 800 C and the resulting columnar silicide layer was capped by epitaxial Si. Deposition of Co on the surface of the Si capping layer at 800 C results in the growth of the buried silicide columns. The buried columns grow by subsurface diffusion of the deposited Co, suppressing the formation of surface islands of CoSi2. The column sidewalls appear to be less stable than the top and bottom interfaces, resulting in preferential lateral growth and ultimately in the coalescence of the columns to form a continuous buried CoSi2 layer. In the second set of experiments, annealing of a 250 nm-thick buried columnar layer at 1000 C under a 100 nm-thick Si capping layer results in the formation of a surface layer of CoSi2 with a reduction in the sizes of the CoSi2 columns. For a sample having a thicker Si capping layer the annealing leads to Ostwald ripening producing buried equiaxed columns. The high CoSi2/Si interfacial strain could provide the driving force for the observed behavior of the buried columns under high-temperature annealing.

  20. Thermal stability of Cu/α-Ta/SiO2/Si structures

    International Nuclear Information System (INIS)

    Yuan, Z.L.; Zhang, D.H.; Li, C.Y.; Prasad, K.; Tan, C.M.

    2004-01-01

    The thermal stability of the Cu/α-Ta/SiO 2 /Si structures is investigated. Tantalum oxides are first observed at the interface between Cu and Ta due to residual oxygen in the annealing ambient at low annealing temperatures (about 600 deg. C). Ternary Cu-Ta oxides and/or Ta oxides rather than Cu oxides are found at the Cu top layer on account of the out diffusion of Ta. After high temperature annealing (up to 750 deg. C), polycrystalline Tantalum oxides (Ta 2 O 5 ) and Ta-rich silicides (Ta 5 Si 3 ) are found as dominant products due to the dissociation of SiO 2 . A severe intermixing of Cu, Ta and SiO 2 was observed after 800 deg. C annealing. First a drop and then an increase in sheet resistances were observed, the former possibly resulting from grain growth and impurities removal in Cu films, and the latter from the reduction of Cu thickness and formation of high resistivity products. The α-Ta films with a thickness of 25 nm have good barrier effectiveness up to 750 deg. C. The degradation of α-Ta film is mainly caused by self oxidation, silicidation and bidirectional diffusion

  1. Demonstration of mechanical connections between integrins, cytoskeletal filaments, and nucleoplasm that stabilize nuclear structure

    Science.gov (United States)

    Maniotis, A. J.; Chen, C. S.; Ingber, D. E.

    1997-01-01

    We report here that living cells and nuclei are hard-wired such that a mechanical tug on cell surface receptors can immediately change the organization of molecular assemblies in the cytoplasm and nucleus. When integrins were pulled by micromanipulating bound microbeads or micropipettes, cytoskeletal filaments reoriented, nuclei distorted, and nucleoli redistributed along the axis of the applied tension field. These effects were specific for integrins, independent of cortical membrane distortion, and were mediated by direct linkages between the cytoskeleton and nucleus. Actin microfilaments mediated force transfer to the nucleus at low strain; however, tearing of the actin gel resulted with greater distortion. In contrast, intermediate filaments effectively mediated force transfer to the nucleus under both conditions. These filament systems also acted as molecular guy wires to mechanically stiffen the nucleus and anchor it in place, whereas microtubules acted to hold open the intermediate filament lattice and to stabilize the nucleus against lateral compression. Molecular connections between integrins, cytoskeletal filaments, and nuclear scaffolds may therefore provide a discrete path for mechanical signal transfer through cells as well as a mechanism for producing integrated changes in cell and nuclear structure in response to changes in extracellular matrix adhesivity or mechanics.

  2. STRUCTURE AND THERMAL STABILITY OF THE BENZO-15-CROWN-5 WITH LANTHANUM (III BROMIDE COMPLEX

    Directory of Open Access Journals (Sweden)

    Muhammad Idiris Saleh

    2010-06-01

    Full Text Available The reaction of benzo-15-crown-5 (C14H20O5 ligand with La(NO33.7H2O in the presence of HBr has resulted in the production of an exotic sandwich complex, [LaC28H36Br4O10][3Br]. The crystal system is triclinic with space group P1, a = 12.5834(14 Å, b = 13.5816(16 Å, c = 13.8403(16 Å, a = 70.751(2°, b = 66.773(2° and g = 67.631(2°. The cation comprises of the lanthanum atom coordinated to two crowns via three oxygen atoms from each crown in a η3-sandwich fashion. The two phenyl groups of the crown are brominated. The La-OLigand bond lengths are between 2.857(7 and 2.949(7 Å. The trianion [3Br]3- is linear with Br-Br bond lengths of 2.518(2 and 2.560(2 Å respectively. The molecule is stabilized by intermolecular interactions of the type C-H...Br to form dimers and are arranged parallel to bc face.  Keywords: lanthanum, benzo-15-crown-5, hydrogen bonding, bromination, x-ray structure

  3. The structure and binding mode of citrate in the stabilization of gold nanoparticles

    KAUST Repository

    Al-Johani, Hind

    2017-03-27

    Elucidating the binding mode of carboxylate-containing ligands to gold nanoparticles (AuNPs) is crucial to understand their stabilizing role. A detailed picture of the three-dimensional structure and coordination modes of citrate, acetate, succinate and glutarate to AuNPs is obtained by 13C and 23Na solid-state NMR in combination with computational modelling and electron microscopy. The binding between the carboxylates and the AuNP surface is found to occur in three different modes. These three modes are simultaneously present at low citrate to gold ratios, while a monocarboxylate monodentate (1κO1) mode is favoured at high citrate:gold ratios. The surface AuNP atoms are found to be predominantly in the zero oxidation state after citrate coordination, although trace amounts of Auδ+ are observed. 23Na NMR experiments show that Na+ ions are present near the gold surface, indicating that carboxylate binding occurs as a 2e− L-type interaction for each oxygen atom involved. This approach has broad potential to probe the binding of a variety of ligands to metal nanoparticles.

  4. Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene

    Science.gov (United States)

    Kadioglu, Yelda; Santana, Juan A.; Özaydin, H. Duygu; Ersan, Fatih; Aktürk, O. Üzengi; Aktürk, Ethem; Reboredo, Fernando A.

    2018-06-01

    We have studied the structural stability of monolayer and bilayer arsenene (As) in the buckled (b) and washboard (w) phases with diffusion quantum Monte Carlo (DMC) and density functional theory (DFT) calculations. DMC yields cohesive energies of 2.826(2) eV/atom for monolayer b-As and 2.792(3) eV/atom for w-As. In the case of bilayer As, DMC and DFT predict that AA-stacking is the more stable form of b-As, while AB is the most stable form of w-As. The DMC layer-layer binding energies for b-As-AA and w-As-AB are 30(1) and 53(1) meV/atom, respectively. The interlayer separations were estimated with DMC at 3.521(1) Å for b-As-AA and 3.145(1) Å for w-As-AB. A comparison of DMC and DFT results shows that the van der Waals density functional method yields energetic properties of arsenene close to DMC, while the DFT + D3 method closely reproduced the geometric properties from DMC. The electronic properties of monolayer and bilayer arsenene were explored with various DFT methods. The bandgap values vary significantly with the DFT method, but the results are generally qualitatively consistent. We expect the present work to be useful for future experiments attempting to prepare multilayer arsenene and for further development of DFT methods for weakly bonded systems.

  5. The structure and binding mode of citrate in the stabilization of gold nanoparticles

    KAUST Repository

    Al-Johani, Hind; Abou-Hamad, Edy; Jedidi, Abdesslem; Widdifield, Cory M.; Viger-Gravel, Jasmine; Sangaru, Shiv; Gajan, David; Anjum, Dalaver H.; Ould-Chikh, Samy; Hedhili, Mohamed N.; Gurinov, Andrei; Kelly, Michael J.; El Eter, Mohamad; Cavallo, Luigi; Basset, Jean-Marie; Basset, Jean-Marie

    2017-01-01

    Elucidating the binding mode of carboxylate-containing ligands to gold nanoparticles (AuNPs) is crucial to understand their stabilizing role. A detailed picture of the three-dimensional structure and coordination modes of citrate, acetate, succinate and glutarate to AuNPs is obtained by 13C and 23Na solid-state NMR in combination with computational modelling and electron microscopy. The binding between the carboxylates and the AuNP surface is found to occur in three different modes. These three modes are simultaneously present at low citrate to gold ratios, while a monocarboxylate monodentate (1κO1) mode is favoured at high citrate:gold ratios. The surface AuNP atoms are found to be predominantly in the zero oxidation state after citrate coordination, although trace amounts of Auδ+ are observed. 23Na NMR experiments show that Na+ ions are present near the gold surface, indicating that carboxylate binding occurs as a 2e− L-type interaction for each oxygen atom involved. This approach has broad potential to probe the binding of a variety of ligands to metal nanoparticles.

  6. Atomic structure and composition of the yttria-stabilized zirconia (111) surface.

    Science.gov (United States)

    Vonk, Vedran; Khorshidi, Navid; Stierle, Andreas; Dosch, Helmut

    2013-06-01

    Anomalous and nonanomalous surface X-ray diffraction is used to investigate the atomic structure and composition of the yttria-stabilized zirconia (YSZ)(111) surface. By simulation it is shown that the method is sensitive to Y surface segregation, but that the data must contain high enough Fourier components in order to distinguish between different models describing Y/Zr disorder. Data were collected at room temperature after two different annealing procedures. First by applying oxidative conditions at 10 - 5  mbar O 2 and 700 K to the as-received samples, where we find that about 30% of the surface is covered by oxide islands, which are depleted in Y as compared with the bulk. After annealing in ultrahigh vacuum at 1270 K the island morphology of the surface remains unchanged but the islands and the first near surface layer get significantly enriched in Y. Furthermore, the observation of Zr and oxygen vacancies implies the formation of a porous surface region. Our findings have important implications for the use of YSZ as solid oxide fuel cell electrode material where yttrium atoms and zirconium vacancies can act as reactive centers, as well as for the use of YSZ as substrate material for thin film and nanoparticle growth where defects control the nucleation process.

  7. Shock structure in continuum models of gas dynamics: stability and bifurcation analysis

    International Nuclear Information System (INIS)

    Simić, Srboljub S

    2009-01-01

    The problem of shock structure in gas dynamics is analysed through a comparative study of two continuum models: the parabolic Navier–Stokes–Fourier model and the hyperbolic system of 13 moments equations modeling viscous, heat-conducting monatomic gases within the context of extended thermodynamics. When dissipative phenomena are neglected these models both reduce to classical Euler's equations of gas dynamics. The shock profile solution, assumed in the form of a planar travelling wave, reduces the problem to a system of ordinary differential equations, and equilibrium states appear to be stationary points of the system. It is shown that in both models an upstream equilibrium state suffers an exchange of stability when the shock speed crosses the critical value which coincides with the highest characteristic speed of the Euler's system. At the same time a downstream equilibrium state could be seen as a steady bifurcating solution, while the shock profile represents a heteroclinic orbit connecting the two stationary points. Using centre manifold reduction it is demonstrated that both models, although mathematically different, obey the same transcritical bifurcation pattern in the neighbourhood of the bifurcation point corresponding to the critical value of shock speed, the speed of sound

  8. Short-Time Structural Stability of Compressible Vortex Sheets with Surface Tension

    Science.gov (United States)

    Stevens, Ben

    2016-11-01

    Assume we start with an initial vortex-sheet configuration which consists of two inviscid fluids with density bounded below flowing smoothly past each other, where a strictly positive fixed coefficient of surface tension produces a surface tension force across the common interface, balanced by the pressure jump. We model the fluids by the compressible Euler equations in three space dimensions with a very general equation of state relating the pressure, entropy and density such that the sound speed is positive. We prove that, for a short time, there exists a unique solution of the equations with the same structure. The mathematical approach consists of introducing a carefully chosen artificial viscosity-type regularisation which allows one to linearise the system so as to obtain a collection of transport equations for the entropy, pressure and curl together with a parabolic-type equation for the velocity which becomes fairly standard after rotating the velocity according to the interface normal. We prove a high order energy estimate for the non-linear equations that is independent of the artificial viscosity parameter which allows us to send it to zero. This approach loosely follows that introduced by Shkoller et al. in the setting of a compressible liquid-vacuum interface. Although already considered by Coutand et al. [10] and Lindblad [17], we also make some brief comments on the case of a compressible liquid-vacuum interface, which is obtained from the vortex sheets problem by replacing one of the fluids by vacuum, where it is possible to obtain a structural stability result even without surface tension.

  9. Probing the structure, stability and hydrogen storage properties of calcium dodecahydro-closo-dodecaborate

    International Nuclear Information System (INIS)

    Stavila, Vitalie; Her, Jae-Hyuk; Zhou Wei; Hwang, Son-Jong; Kim, Chul; Ottley, Leigh Anna M.; Udovic, Terrence J.

    2010-01-01

    Calcium borohydride can reversibly store up to 9.6 wt% hydrogen; however, the material displays poor cyclability, generally associated with the formation of stable intermediate species. In an effort to understand the role of such intermediates on the hydrogen storage properties of Ca(BH 4 ) 2 , calcium dodecahydro-closo-dodecaborate was isolated and characterized by diffraction and spectroscopic techniques. The crystal structure of CaB 12 H 12 was determined from powder XRD data and confirmed by DFT and neutron vibrational spectroscopy studies. Attempts to dehydrogenate/hydrogenate mixtures of CaB 12 H 12 and CaH 2 were made under conditions known to favor partial reversibility in calcium borohydride. However, up to 670 K no notable formation of Ca(BH 4 ) 2 (during hydrogenation) or CaB 6 (during dehydrogenation) occurred. It was demonstrated that the stability of CaB 12 H 12 can be significantly altered using CaH 2 as a destabilizing agent to favor the hydrogen release. - Graphical abstract: Calcium dodecahydro-closo-dodecaborate, CaB 12 H 12 (1), was isolated by dehydration/desolvation of [Ca(H 2 O) 7 ][B 12 H 12 ].H 2 O (2) or [Ca(H 2 O) 5 (MeCN) 2 ][B 12 H 12 ] (3). The crystal structure of 1 was determined by powder X-ray diffraction and confirmed by neutron vibrational spectroscopy and first-principles calculations. Hydrogen storage properties of 1 in the presence of calcium hydride were elucidated.

  10. The dynamical structure of the MEO region: long-term stability, chaos, and transport

    Science.gov (United States)

    Daquin, Jérôme; Rosengren, Aaron J.; Alessi, Elisa Maria; Deleflie, Florent; Valsecchi, Giovanni B.; Rossi, Alessandro

    2016-04-01

    It has long been suspected that the Global Navigation Satellite Systems exist in a background of complex resonances and chaotic motion; yet, the precise dynamical character of these phenomena remains elusive. Recent studies have shown that the occurrence and nature of the resonances driving these dynamics depend chiefly on the frequencies of nodal and apsidal precession and the rate of regression of the Moon's nodes. Woven throughout the inclination and eccentricity phase space is an exceedingly complicated web-like structure of lunisolar secular resonances, which become particularly dense near the inclinations of the navigation satellite orbits. A clear picture of the physical significance of these resonances is of considerable practical interest for the design of disposal strategies for the four constellations. Here we present analytical and semi-analytical models that accurately reflect the true nature of the resonant interactions, and trace the topological organization of the manifolds on which the chaotic motions take place. We present an atlas of FLI stability maps, showing the extent of the chaotic regions of the phase space, computed through a hierarchy of more realistic, and more complicated, models, and compare the chaotic zones in these charts with the analytical estimation of the width of the chaotic layers from the heuristic Chirikov resonance-overlap criterion. As the semi-major axis of the satellite is receding, we observe a transition from stable Nekhoroshev-like structures at three Earth radii, where regular orbits dominate, to a Chirikov regime where resonances overlap at five Earth radii. From a numerical estimation of the Lyapunov times, we find that many of the inclined, nearly circular orbits of the navigation satellites are strongly chaotic and that their dynamics are unpredictable on decadal timescales.

  11. Effect of pH on structure, function, and stability of mitochondrial carbonic anhydrase VA.

    Science.gov (United States)

    Idrees, Danish; Shahbaaz, Mohd; Bisetty, Krishna; Islam, Asimul; Ahmad, Faizan; Hassan, Md Imtaiyaz

    2017-02-01

    Mitochondrial carbonic anhydrase VA (CAVA) catalyzes the hydration of carbon dioxide to produce proton and bicarbonate which is primarily expressed in the mitochondrial matrix of liver, and involved in numerous physiological processes including lipogenesis, insulin secretion from pancreatic cells, ureagenesis, gluconeogenesis, and neuronal transmission. To understand the effect of pH on the structure, function, and stability of CAVA, we employed spectroscopic techniques such as circular dichroism, fluorescence, and absorbance measurements in wide range of pH (from pH 2.0 to pH 11.5). CAVA showed an aggregation at acidic pH range from pH 2.0 to pH 5.0. However, it remains stable and maintains its secondary structure in the pH range, pH 7.0-pH 11.5. Furthermore, this enzyme has an appreciable activity at more than pH 7.0 (7.0 < pH ≤ 11.5) with maximum activity at pH 9.0. The maximal values of k cat and k cat /K m at pH 9.0 are 3.7 × 10 6  s -1 and 5.5 × 10 7  M -1  s -1 , respectively. However, this enzyme loses its activity in the acidic pH range. We further performed 20-ns molecular dynamics simulation of CAVA to see the dynamics at different pH values. An excellent agreement was observed between in silico and in vitro studies. This study provides an insight into the activity of CAVA in the pH range of subcellular environment.

  12. Development of a Cloud Computing-Based Pier Type Port Structure Stability Evaluation Platform Using Fiber Bragg Grating Sensors.

    Science.gov (United States)

    Jo, Byung Wan; Jo, Jun Ho; Khan, Rana Muhammad Asad; Kim, Jung Hoon; Lee, Yun Sung

    2018-05-23

    Structure Health Monitoring is a topic of great interest in port structures due to the ageing of structures and the limitations of evaluating structures. This paper presents a cloud computing-based stability evaluation platform for a pier type port structure using Fiber Bragg Grating (FBG) sensors in a system consisting of a FBG strain sensor, FBG displacement gauge, FBG angle meter, gateway, and cloud computing-based web server. The sensors were installed on core components of the structure and measurements were taken to evaluate the structures. The measurement values were transmitted to the web server via the gateway to analyze and visualize them. All data were analyzed and visualized in the web server to evaluate the structure based on the safety evaluation index (SEI). The stability evaluation platform for pier type port structures involves the efficient monitoring of the structures which can be carried out easily anytime and anywhere by converging new technologies such as cloud computing and FBG sensors. In addition, the platform has been successfully implemented at “Maryang Harbor” situated in Maryang-Meyon of Korea to test its durability.

  13. Conserved residues and their role in the structure, function, and stability of acyl-coenzyme A binding protein

    DEFF Research Database (Denmark)

    Kragelund, B B; Poulsen, K; Andersen, K V

    1999-01-01

    In the family of acyl-coenzyme A binding proteins, a subset of 26 sequence sites are identical in all eukaryotes and conserved throughout evolution of the eukaryotic kingdoms. In the context of the bovine protein, the importance of these 26 sequence positions for structure, function, stability...

  14. Phase structures of the black Dp-D(p+4)-brane system in various ensembles II: electrical and thermodynamic stability

    International Nuclear Information System (INIS)

    Xiao, Zhiguang; Zhou, Da

    2015-01-01

    By incorporating the electrical stability condition into the discussion, we continue the study on the thermodynamic phase structures of the Dp-D(p+4) black brane in GG, GC, CG, CC ensembles defined in our previous paper http://dx.doi.org/10.1007/JHEP07(2015)134. We find that including the electrical stability conditions in addition to the thermal stability conditions does not modify the phase structure of the GG ensemble but puts more constraints on the parameter space where black branes can stably exist in GC, CG, CC ensembles. In particular, the van der Waals-like phase structure which was supposed to be present in these ensembles when only thermal stability condition is considered would no longer be visible, since the phase of the small black brane is unstable under electrical fluctuations. However, the symmetry of the phase structure by interchanging the two kinds of brane charges and potentials is still preserved, which is argued to be the result of T-duality.

  15. Stability and disease persistence in an age-structured SIS epidemic model with vertical transmission and proportionate mixing assumption

    International Nuclear Information System (INIS)

    El-Doma, M.

    2001-02-01

    The stability of the endemic equilibrium of an SIS age-structured epidemic model of a vertically as well as horizontally transmitted disease is investigated when the force of infection is of proportionate mixing assumption type. We also investigate the uniform weak disease persistence. (author)

  16. The flow field structure of highly stabilized partially premixed flames in a concentric flow conical nozzle burner with coflow

    KAUST Repository

    Elbaz, Ayman M.

    2015-08-29

    The stability limits, the stabilization mechanism, and the flow field structure of highly stabilized partially premixed methane flames in a concentric flow conical nozzle burner with air co-flow have been investigated and presented in this work. The stability map of partial premixed flames illustrates that the flames are stable between two extinction limits. A low extinction limit when partial premixed flames approach non-premixed flame conditions, and a high extinction limit, with the partial premixed flames approach fully premixed flame conditions. These two limits showed that the most stable flame conditions are achieved at a certain degree of partial premixed. The stability is improved by adding air co-flow. As the air co-flow velocity increases the most stable flames are those that approach fully premixed. The turbulent flow field of three flames at 0, 5, 10 m/s co-flow velocity are investigated using Stereo Particle Image Velocimetry (SPIV) in order to explore the improvement of the flame stability due to the use of air co-flow. The three flames are all at a jet equivalence ratio (Φj) of 2, fixed level of partial premixing and jet Reynolds number (Rej) of 10,000. The use of co-flow results in the formation of two vortices at the cone exit. These vortices act like stabilization anchors for the flames to the nozzle tip. With these vortices in the flow field, the reaction zone shifts toward the reduced turbulence intensity at the nozzle rim of the cone. Interesting information about the structure of the flow field with and without co-flow are identified and reported in this work.

  17. An at-grade stabilization structure impact on runoff and suspended sediment

    Science.gov (United States)

    Minks, Kyle R.; Lowery, Birl; Madison, Fred W.; Ruark, Matthew; Frame, Dennis R.; Stuntebeck, Todd D.; Komiskey, Matthew J.

    2012-01-01

    In recent years, agricultural runoff has received more attention as a major contributor to surface water pollution. This is especially true for the unglaciated area of Wisconsin, given this area's steep topography, which makes it highly susceptible to runoff and soil loss. We evaluated the ability of an at-grade stabilization structure (AGSS), designed as a conservation practice to reduce the amount of overland runoff and suspended sediment transported to the surface waters of an agricultural watershed. Eight years of storm and baseflow data collected by the US Geological Survey–Wisconsin Water Science Center on a farm in west central Wisconsin were analyzed for changes in precipitation, storm runoff volume, and suspended sediment concentration before and after installation of an AGSS. The agricultural research site was designed as a paired watershed study in which monitoring stations were installed on the perennial streams draining both control and treatment watersheds. Linear mixed effects model analyses were conducted to determine if any statistically significant changes occurred in the water quality parameters before and after the AGSS was installed. Results indicated no significant changes (p = 0.51) in average event precipitation and runoff volumes before and after installation of the AGSS in either the treatment (NW) or control (SW) watersheds. However, the AGSS did significantly reduce the average suspended sediment concentration in the event runoff water (p = 0.02) in the NW from 972 to 263 mg L–1. In addition, particle size analyses, using light diffraction techniques, were conducted on soil samples taken from within the AGSS and adjacent valley and ridge top to determine if suspended sediments were being retained within the structure. Statistical analysis revealed a significantly (p clay inside the AGSS (37%) than outside (30%). These results indicate that the AGSS was successful in reducing the amount of suspended sediment transported to nearby

  18. Correlating the Impact of Well-Defined Oligosaccharide Structures on Physical Stability Profiles of IgG1-Fc Glycoforms.

    Science.gov (United States)

    More, Apurva S; Toprani, Vishal M; Okbazghi, Solomon Z; Kim, Jae H; Joshi, Sangeeta B; Middaugh, C Russell; Tolbert, Thomas J; Volkin, David B

    2016-02-01

    As part of a series of articles in this special issue describing 4 well-defined IgG1-Fc glycoforms as a model system for biosimilarity analysis (high mannose-Fc, Man5-Fc, GlcNAc-Fc and N297Q-Fc aglycosylated), the focus of this work is comparisons of their physical properties. A trend of decreasing apparent solubility (thermodynamic activity) by polyethylene glycol precipitation (pH 4.5, 6.0) and lower conformational stability by differential scanning calorimetry (pH 4.5) was observed with reducing size of the N297-linked oligosaccharide structures. Using multiple high-throughput biophysical techniques, the physical stability of the Fc glycoproteins was then measured in 2 formulations (NaCl and sucrose) across a wide range of temperatures (10°C-90°C) and pH (4.0-7.5) conditions. The data sets were used to construct 3-index empirical phase diagrams and radar charts to visualize the regions of protein structural stability. Each glycoform showed improved stability in the sucrose (vs. salt) formulation. The HM-Fc and Man5-Fc displayed the highest relative stability, followed by GlcNAc-Fc, with N297Q-Fc being the least stable. Thus, the overall physical stability profiles of the 4 IgG1-Fc glycoforms also show a correlation with oligosaccharide structure. These data sets are used to develop a mathematical model for biosimilarity analysis (as described in a companion article by Kim et al. in this issue). Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  19. Lattice stability of metastable AlN and wurtzite-to-rock-salt structural transformation by CALPHAD modeling

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yanhui, E-mail: yanhui.z@hotmail.com [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials-Applied Materials Physics (IAM-AWP), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); High-performance Ceramics Division, Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 110016, Shenyang (China); Franke, Peter; Li, Dajian; Seifert, Hans Jürgen [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials-Applied Materials Physics (IAM-AWP), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

    2016-12-01

    Reliable lattice stability of cubic AlN with rock-salt structure (rs-AlN) is the prerequisite of accurate thermodynamic modeling of cubic (M, Al)N solid solutions (M = Ti, Zr, Cr etc.). In order to derive the Gibbs energy of metastable rs-AlN, and then its lattice stability, we did the pressure-temperature (P-T) assessment of AlN phases by equations-of-state modeling. Meanwhile, the molar volumes and the heat capacities of wurtzite and rock-salt AlN, as well as the wurtzite-to-rock-salt structural transition at high P&T were successfully incorporated in CALPHAD-type database by integrating thermodynamic data from experiments and ab-initio calculations. These results promise subsequent investigations on phase stabilities and transitions of solid solutions with AlN component and the development of novel multicomponent coatings. - Highlights: • Phase stability investigation for novel multi-component metastable coatings. • Structural transition at high temperature and high pressure. • Integrating thermodynamic data from ab-initio calculations and experiments. • Thermal expansion, isothermal compressibility and heat capacity of w-AlN and rs-AlN.

  20. Structure and Stability of the Spinach Aquaporin SoPIP2;1 in Detergent Micelles and Lipid Membranes

    DEFF Research Database (Denmark)

    Plasencia, Ines; Survery, Sabeen; Ibragimova, Sania

    2011-01-01

    Background: SoPIP2;1 constitutes one of the major integral proteins in spinach leaf plasma membranes and belongs to the aquaporin family. SoPIP2;1 is a highly permeable and selective water channel that has been successfully overexpressed and purified with high yields. In order to optimize...... reconstitution of the purified protein into biomimetic systems, we have here for the first time characterized the structural stability of SoPIP2;1. Methodology/Principal Finding: We have characterized the protein structural stability after purification and after reconstitution into detergent micelles...... and proteoliposomes using circular dichroism and fluorescence spectroscopy techniques. The structure of SoPIP2;1 was analyzed either with the protein solubilized with octyl-beta-D-glucopyranoside (OG) or reconstituted into lipid membranes formed by E. coli lipids, diphytanoylphosphatidylcholine (DPh...

  1. Microencapsulation structures based on protein-coated liposomes obtained through electrospraying for the stabilization and improved bioaccessibility of curcumin.

    Science.gov (United States)

    Gómez-Mascaraque, Laura G; Casagrande Sipoli, Caroline; de La Torre, Lucimara Gaziola; López-Rubio, Amparo

    2017-10-15

    Novel food-grade hybrid encapsulation structures based on the entrapment of phosphatidylcholine liposomes, within a WPC matrix through electrospraying, were developed and used as delivery vehicles for curcumin. The loading capacity and encapsulation efficiency of the proposed system was studied, and the suitability of the approach to stabilize curcumin and increase its bioaccessibility was assessed. Results showed that the maximum loading capacity of the liposomes was around 1.5% of curcumin, although the loading capacity of the hybrid microencapsulation structures increased with the curcumin content by incorporation of curcumin microcrystals upon electrospraying. Microencapsulation of curcumin within the proposed hybrid structures significantly increased its bioaccessibility (∼1.7-fold) compared to the free compound, and could successfully stabilize it against degradation in PBS (pH=7.4). The proposed approach thus proved to be a promising alternative to produce powder-like functional ingredients. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Kinetic stability and membrane structure of liposomes during in vitro infant intestinal digestion: Effect of cholesterol and lactoferrin.

    Science.gov (United States)

    Liu, Weilin; Wei, Fuqiang; Ye, Aiqian; Tian, Mengmeng; Han, Jianzhong

    2017-09-01

    The effects of cholesterol and lactoferrin on the kinetic stability and membrane structural integrity of negatively charged liposomes under in vitro infant intestinal digestion conditions were elucidated using dynamic light scattering, pH-stat titration, Fourier transform infrared spectroscopy, and pyrene steady state fluorescence probes. The liposomes had a smaller particle diameter, a wider size distribution, and a greater negative charge after digestion. The incorporation of cholesterol into the phospholipid bilayers resulted in a more ordered conformation in the aliphatic tail region and reduced micropolarity, indicating that cholesterol can improve the structural stability of liposomal membranes against intestinal environmental stress. Lactoferrin coverage facilitated the release of free fatty acids and increased the microfluidity of the bilayers, reducing the structural integrity of the liposomes. This study provides useful information on the design of liposomes and other microcapsules with improved and controlled release properties during digestion for particular groups of people. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Insights on the structure and stability of Licanantase: a trimeric acid-stable coiled-coil lipoprotein from Acidithiobacillus thiooxidans

    Directory of Open Access Journals (Sweden)

    Fernando Abarca

    2014-08-01

    Full Text Available Licanantase (Lic is the major component of the secretome of Acidithiobacillus thiooxidans when grown in elemental sulphur. When used as an additive, Lic improves copper recovery from bioleaching processes. However, this recovery enhancement is not fully understood. In this context, our aim is to predict the 3D structure of Lic, to shed light on its structure-function relationships. Bioinformatics analyses on the amino acid sequence of Lic showed a great similarity with Lpp, an Escherichia coli Lipoprotein that can form stable trimers in solution. Lic and Lpp share the secretion motif, intracellular processing and alpha helix structure, as well as the distribution of hydrophobic residues in heptads forming a hydrophobic core, typical of coiled-coil structures. Cross-linking experiments showed the presence of Lic trimers, supporting our predictions. Taking the in vitro and in silico evidence as a whole, we propose that the most probable structure for Lic is a trimeric coiled-coil. According to this prediction, a suitable model for Lic was produced using the de novo algorithm “Rosetta Fold-and-Dock”. To assess the structural stability of our model, Molecular Dynamics (MD and Replica Exchange MD simulations were performed using the structure of Lpp and a 14-alanine Lpp mutant as controls, at both acidic and neutral pH. Our results suggest that Lic was the most stable structure among the studied proteins in both pH conditions. This increased stability can be explained by a higher number of both intermonomer hydrophobic contacts and hydrogen bonds, key elements for the stability of Lic’s secondary and tertiary structure.

  4. Sobredentadura total superior implantosoportada

    Directory of Open Access Journals (Sweden)

    Luis Orlando Rodríguez García

    2010-06-01

    Full Text Available Se presenta un caso de un paciente desdentado total superior, rehabilitado en la consulta de implantología de la Clínica "Pedro Ortiz" del municipio Habana del Este en Ciudad de La Habana, Cuba, en el año 2009, mediante prótesis sobre implantes osteointegrados, técnica que se ha incorporado a la práctica estomatológica en Cuba como alternativa al tratamiento convencional en los pacientes desdentados totales. Se siguió un protocolo que comprendió una fase quirúrgica, procedimiento con o sin realización de colgajo y carga precoz o inmediata. Se presenta un paciente masculino de 56 años de edad, que acudió a la consulta multidisciplinaria, preocupado, porque se le habían elaborado tres prótesis en los últimos dos años y ninguna reunía los requisitos de retención que él necesitaba para sentirse seguro y cómodo con las mismas. El resultado final fue la satisfacción total del paciente, con el mejoramiento de la calidad estética y funcional.

  5. The Turbopause experiment: atmospheric stability and turbulent structure spanning the turbopause altitude

    Directory of Open Access Journals (Sweden)

    G. A. Lehmacher

    2011-12-01

    Full Text Available Very few sequences of high resolution wind and temperature measurements in the lower thermosphere are available in the literature, which makes it difficult to verify the simulation results of models that would provide better understanding of the complex dynamics of the region. To address this problem the Turbopause experiment used four rockets launched over a period of approximately two hours from Poker Flat Research Range, Alaska (64° N, 147° W on the night of 17–18 February 2009. All four rocket payloads released trimethyl aluminum trails for neutral wind and turbulence measurements, and two of the rockets carried ionization gauges and fixed-bias Langmuir probes measuring neutral and electron densities, small-scale fluctuations and neutral temperatures. Two lidars monitored temperature structure and sodium densities. The observations were made under quiet geomagnetic conditions and show persistence in the wind magnitudes and shears throughout the observing period while being modulated by inertia-gravity waves. High resolution temperature profiles show the winter polar mesosphere and lower thermosphere in a state of relatively low stability with several quasi-adiabatic layers between 74 and 103 km. Temperature and wind data were combined to calculate Richardson number profiles. Evidence for turbulence comes from simultaneous observations of density fluctuations and downward transport of sodium in a mixed layer near 75 km; the observation of turbulent fluctuations and energy dissipation from 87–90 km; and fast and irregular trail expansion at 90–93 km, and especially between 95 to 103 km. The regions of turbulent trails agree well with regions of quasi-adiabatic temperature gradients. Above 103 km, trail diffusion was mainly laminar; however, unusual features and vortices in the trail diffusion were observed up to 118 km that have not been as prevalent or as clearly evident in earlier trail releases.

  6. Essential roles of BCCIP in mouse embryonic development and structural stability of chromosomes.

    Directory of Open Access Journals (Sweden)

    Huimei Lu

    2011-09-01

    Full Text Available BCCIP is a BRCA2- and CDKN1A(p21-interacting protein that has been implicated in the maintenance of genomic integrity. To understand the in vivo functions of BCCIP, we generated a conditional BCCIP knockdown transgenic mouse model using Cre-LoxP mediated RNA interference. The BCCIP knockdown embryos displayed impaired cellular proliferation and apoptosis at day E7.5. Consistent with these results, the in vitro proliferation of blastocysts and mouse embryonic fibroblasts (MEFs of BCCIP knockdown mice were impaired considerably. The BCCIP deficient mouse embryos die before E11.5 day. Deletion of the p53 gene could not rescue the embryonic lethality due to BCCIP deficiency, but partially rescues the growth delay of mouse embryonic fibroblasts in vitro. To further understand the cause of development and proliferation defects in BCCIP-deficient mice, MEFs were subjected to chromosome stability analysis. The BCCIP-deficient MEFs displayed significant spontaneous chromosome structural alterations associated with replication stress, including a 3.5-fold induction of chromatid breaks. Remarkably, the BCCIP-deficient MEFs had a ∼20-fold increase in sister chromatid union (SCU, yet the induction of sister chromatid exchanges (SCE was modestly at 1.5 fold. SCU is a unique type of chromatid aberration that may give rise to chromatin bridges between daughter nuclei in anaphase. In addition, the BCCIP-deficient MEFs have reduced repair of irradiation-induced DNA damage and reductions of Rad51 protein and nuclear foci. Our data suggest a unique function of BCCIP, not only in repair of DNA damage, but also in resolving stalled replication forks and prevention of replication stress. In addition, BCCIP deficiency causes excessive spontaneous chromatin bridges via the formation of SCU, which can subsequently impair chromosome segregations in mitosis and cell division.

  7. Magnetically induced crystal structure and phase stability in Fe1-cCoc

    DEFF Research Database (Denmark)

    Abrikosov, I.A.; James, P.; Eriksson, O.

    1996-01-01

    We present an ab initio determination of the crystallographic phase stability of Fe-Co alloys as a function of concentration, using the coherent potential approximation. A bcc --> hcp phase transition is found at a concentration of 85 at.% of Co, in good agreement with the experimental phase...... diagram. We demonstrate that for the Pe-rich random alloys magnetism-stabilizes the bce phase relative to the close-packed fee and hcp phases. Magnetism also favors the partially ordered alpha' phase relative to the random bce alloy. This unique relation between magnetism and phase stability for the Fe...

  8. Beam Stability in the Drive-Beam Decelerator of CLIC Using Structures of High-Order Symmetry

    CERN Document Server

    Millich, Antonio; Schulte, Daniel

    1999-01-01

    The RF power necessary to accelerate the main beam of the Compact Linear Collider (CLIC) is produced by decelerating a high-current drive beam in Power Extraction and Transfer Structures (PETS). The reference structure is not cylindrically symmetric but has longitudinal waveguides carved into the inner surface. This gives rise to a transverse component of the main longitudinal mode which can not be damped, in contrast to the transverse dipole wake- field. The field is non-linear and couples the motion of the particles in the two planes. Limits of the stability of the decelerated beam are investigated for different structures.

  9. Construction of SnO2?Graphene Composite with Half-Supported Cluster Structure as Anode toward Superior Lithium Storage Properties

    OpenAIRE

    Zhu, Chengling; Chen, Zhixin; Zhu, Shenmin; Li, Yao; Pan, Hui; Meng, Xin; Imtiaz, Muhammad; Zhang, Di

    2017-01-01

    Inspired by nature, herein we designed a novel construction of SnO2 anodes with an extremely high lithium storage performance. By utilizing small sheets of graphene oxide, the partitioned-pomegranate-like structure was constructed (SnO2@C@half-rGO), in which the porous clusters of SnO2 nanoparticles are partially supported by reduced graphene oxide sheets while the rest part is exposed (half-supported), like partitioned pomegranates. When served as anode for lithium-ion batteries, SnO2@C@half...

  10. Low temperature stabilization process for production of carbon fiber having structural order

    Science.gov (United States)

    Rios, Orlando; McGuire, Michael Alan; More, Karren Leslie; Tenhaeff, Wyatt Evan; Menchhofer, Paul A.; Paulauskas, Felix Leonard

    2017-08-15

    A method for producing a carbon fiber, the method comprising: (i) subjecting a continuous carbon fiber precursor having a polymeric matrix in which strength-enhancing particles are incorporated to a stabilization process during which the carbon fiber precursor is heated to within a temperature range ranging from the glass transition temperature to no less than 20.degree. C. below the glass transition temperature of the polymeric matrix, wherein the maximum temperature employed in the stabilization process is below 400.degree. C., for a processing time within said temperature range of at least 1 hour in the presence of oxygen and in the presence of a magnetic field of at least 1 Tesla, while said carbon fiber precursor is held under an applied axial tension; and (ii) subjecting the stabilized carbon fiber precursor, following step (i), to a carbonization process. The stabilized carbon fiber precursor, resulting carbon fiber, and articles made thereof are also described.

  11. Exploration of minima on the C7H surface: Structural, stability- and ...

    Indian Academy of Sciences (India)

    index for aromaticity could distinguish well between aromatic, non-aromatic and anti-aromatic ... 7 isomers; cation stability; cation geometry; charge distribution; NICS; hybridization state; ..... resonance hybrid or as the most important canoni-.

  12. Experimental evidence, stability and proposed structure of protonated tetramethyl p-tert-butylcalix[4]arene tetraketone

    Czech Academy of Sciences Publication Activity Database

    Makrlík, E.; Dybal, Jiří; Budka, J.; Vaňura, P.

    2008-01-01

    Roč. 82, č. 7 (2008), s. 1441-1447 ISSN 0137- 5083 Institutional research plan: CEZ:AV0Z40500505 Keywords : calixarene * protonation * stability constant Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.518, year: 2008

  13. Micro-ring structures stabilize microdroplets to enable long term spheroid culture in 384 hanging drop array plates.

    Science.gov (United States)

    Hsiao, Amy Y; Tung, Yi-Chung; Kuo, Chuan-Hsien; Mosadegh, Bobak; Bedenis, Rachel; Pienta, Kenneth J; Takayama, Shuichi

    2012-04-01

    Using stereolithography, 20 different structural variations comprised of millimeter diameter holes surrounded by trenches, plateaus, or micro-ring structures were prepared and tested for their ability to stably hold arrays of microliter sized droplets within the structures over an extended period of time. The micro-ring structures were the most effective in stabilizing droplets against mechanical and chemical perturbations. After confirming the importance of micro-ring structures using rapid prototyping, we developed an injection molding tool for mass production of polystyrene 3D cell culture plates with an array of 384 such micro-ring surrounded through-hole structures. These newly designed and injection molded polystyrene 384 hanging drop array plates with micro-rings were stable and robust against mechanical perturbations as well as surface fouling-facilitated droplet spreading making them capable of long term cell spheroid culture of up to 22 days within the droplet array. This is a significant improvement over previously reported 384 hanging drop array plates which are susceptible to small mechanical shocks and could not reliably maintain hanging drops for longer than a few days. With enhanced droplet stability, the hanging drop array plates with micro-ring structures provide better platforms and open up new opportunities for high-throughput preparation of microscale 3D cell constructs for drug screening and cell analysis.

  14. Straightforward and accurate technique for post-coupler stabilization in drift tube linac structures

    CERN Document Server

    Khalvati, Mohammad Reza

    2016-01-01

    The axial electric field of Alvarez drift tube linacs (DTLs) is known to be susceptible to variations due to static and dynamic effects like manufacturing tolerances and beam loading. Post-couplers are used to stabilize the accelerating fields of DTLs against tuning errors. Tilt sensitivity and its slope have been introduced as measures for the stability right from the invention of post-couplers but since then the actual stabilization has mostly been done by tedious iteration. In the present article, the local tilt-sensitivity slope TS 0 n is established as the principal measure for stabilization instead of tilt sensitivity or some visual slope, and its significance is developed on the basis of an equivalent-circuit diagram of the DTL. Experimental and 3D simulation results are used to analyze its behavior and to define a technique for stabilization that allows finding the best post-coupler settings with just four tilt-sensitivity measurements. CERN ’ s Linac4 DTL Tank 2 and Tank 3 have been stabilized succ...

  15. Evaluation of the effect of non-B DNA structures on plasmid integrity via accelerated stability studies.

    Science.gov (United States)

    Ribeiro, S C; Monteiro, G A; Prazeres, D M F

    2009-04-01

    Plasmid biopharmaceuticals are a new class of medicines with an enormous potential. Attempts to increase the physical stability of highly purified supercoiled (SC) plasmid DNA in pharmaceutical aqueous solutions have relied on: (i) changing the DNA sequence, (ii) improving manufacturing to reduce deleterious impurities and initial DNA damage, and (iii) controlling the storage medium characteristics. In this work we analyzed the role of secondary structures on the degradation of plasmid molecules. Accelerated stability experiments were performed with SC, open circular (OC) and linear (L) isoforms of three plasmids which differed only in the "single-strandlike" content of their polyadenylation (poly A) signals. We have proved that the presence of more altered or interrupted (non-B) DNA secondary structures did not directly translate into an easier strand scission of the SC isoforms. Rather, those unusual structures imposed a lower degree of SC in the plasmids, leading to an increase in their resistance to thermal degradation. However, this behavior was reversed when the relaxed or L isoforms were tested, in which case the absence of SC rendered the plasmids essentially double-stranded. Overall, this work suggests that plasmid DNA sequence and secondary structures should be taken into account in future investigations of plasmid stability during prolonged storage.

  16. Higher order structural effects stabilizing the reverse watson-crick guanine-cytosine base pair in functional RNAs

    KAUST Repository

    Chawla, Mohit

    2013-10-10

    The G:C reverse Watson-Crick (W:W trans) base pair, also known as Levitt base pair in the context of tRNAs, is a structurally and functionally important base pair that contributes to tertiary interactions joining distant domains in functional RNA molecules and also participates in metabolite binding in riboswitches. We previously indicated that the isolated G:C W:W trans base pair is a rather unstable geometry, and that dicationic metal binding to the Guanine base or posttranscriptional modification of the Guanine can increase its stability. Herein, we extend our survey and report on other H-bonding interactions that can increase the stability of this base pair. To this aim, we performed a bioinformatics search of the PDB to locate all the occurencies of G:C trans base pairs. Interestingly, 66% of the G:C trans base pairs in the PDB are engaged in additional H-bonding interactions with other bases, the RNA backbone or structured water molecules. High level quantum mechanical calculations on a data set of representative crystal structures were performed to shed light on the structural stability and energetics of the various crystallographic motifs. This analysis was extended to the binding of the preQ1 metabolite to a preQ1-II riboswitch. 2013 The Author(s).

  17. A first principles study of structural stability, electronic structure and mechanical properties of beryllium alanate BeAlH{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rajeswarapalanichamy@gmail.com; Priyanga, G. Sudha; Cinthia, A. Jemmy [Department of physics, N.M.S.S.V.N college, Madurai, Tamilnadu-625019 (India); Kanagaprabha, S. [Department of Physics, Kamaraj College, Tuticorin, Tamil Nadu 628003 (India); Iyakutti, K. [Department of Physics and Nanotechnology, SRM University, Chennai, Tamilnadu-603203 (India)

    2015-06-24

    Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of BeAlH{sub 5} for monoclinic crystal structures with two different types of space group namely P2{sub 1} and C{sub 2}/c. Among the considered structures monoclinic (P2{sub 1}) phase is found to be the most stable at ambient condition. The structural phase transition from monoclinic (P2{sub 1}) to monoclinic (C{sub 2}/c) phase is observed in BeAlH{sub 5}. The electronic structure reveals that this compound is insulator. The calculated elastic constants indicate that this material is mechanically stable at ambient condition.

  18. Correlation of structural stability with functional remodeling of high-density lipoproteins: the importance of being disordered.

    Science.gov (United States)

    Guha, Madhumita; Gao, Xuan; Jayaraman, Shobini; Gursky, Olga

    2008-11-04

    High-density lipoproteins (HDLs) are protein-lipid assemblies that remove excess cell cholesterol and prevent atherosclerosis. HDLs are stabilized by kinetic barriers that decelerate protein dissociation and lipoprotein fusion. We propose that similar barriers modulate metabolic remodeling of plasma HDLs; hence, changes in particle composition that destabilize HDLs and accelerate their denaturation may accelerate their metabolic remodeling. To test this notion, we correlate existing reports on HDL-mediated cell cholesterol efflux and esterification, which are obligatory early steps in cholesterol removal, with our kinetic studies of HDL stability. The results support our hypothesis and show that factors accelerating cholesterol efflux and esterification in model discoidal lipoproteins (including reduced protein size, reduced fatty acyl chain length, and/or increased level of cis unsaturation) destabilize lipoproteins and accelerate their fusion and apolipoprotein dissociation. Oxidation studies of plasma spherical HDLs show a similar trend: mild oxidation by Cu(2+) or OCl(-) accelerates cell cholesterol efflux, protein dissociation, and HDL fusion, while extensive oxidation inhibits these reactions. Consequently, moderate destabilization may be beneficial for HDL functions by facilitating insertion of cholesterol and lipophilic enzymes, promoting dissociation of lipid-poor apolipoproteins, which are primary acceptors of cell cholesterol, and thereby accelerating HDL metabolism. Therefore, HDL stability must be delicately balanced to maintain the structural integrity of the lipoprotein assembly and ensure structural specificity necessary for interactions of HDL with its metabolic partners, while facilitating rapid HDL remodeling and turnover at key junctures of cholesterol transport. The inverse correlation between HDL stability and remodeling illustrates the functional importance of structural disorder in macromolecular assemblies stabilized by kinetic barriers.

  19. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions.

    Science.gov (United States)

    Feng, Zhenxing; Hong, Wesley T; Fong, Dillon D; Lee, Yueh-Lin; Yacoby, Yizhak; Morgan, Dane; Shao-Horn, Yang

    2016-05-17

    Electrocatalysts play an important role in catalyzing the kinetics for oxygen reduction and oxygen evolution reactions for many air-based energy storage and conversion devices, such as metal-air batteries and fuel cells. Although noble metals have been extensively used as electrocatalysts, their limited natural abundance and high costs have motivated the search for more cost-effective catalysts. Oxides are suitable candidates since they are relatively inexpensive and have shown reasonably high activity for various electrochemical reactions. However, a lack of fundamental understanding of the reaction mechanisms has been a major hurdle toward improving electrocatalytic activity. Detailed studies of the oxide surface atomic structure and chemistry (e.g., cation migration) can provide much needed insights for the design of highly efficient and stable oxide electrocatalysts. In this Account, we focus on recent advances in characterizing strontium (Sr) cation segregation and enrichment near the surface of Sr-substituted perovskite oxides under different operating conditions (e.g., high temperature, applied potential), as well as their influence on the surface oxygen exchange kinetics at elevated temperatures. We contrast Sr segregation, which is associated with Sr redistribution in the crystal lattice near the surface, with Sr enrichment, which involves Sr redistribution via the formation of secondary phases. The newly developed coherent Bragg rod analysis (COBRA) and energy-modulated differential COBRA are uniquely powerful ways of providing information about surface and interfacial cation segregation at the atomic scale for these thin film electrocatalysts. In situ ambient pressure X-ray photoelectron spectroscopy (APXPS) studies under electrochemical operating conditions give additional insights into cation migration. Direct COBRA and APXPS evidence for surface Sr segregation was found for La1-xSrxCoO3-δ and (La1-ySry)2CoO4±δ/La1-xSrxCoO3-δ oxide thin films, and

  20. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions

    KAUST Repository

    Feng, Zhenxing

    2016-05-05

    Conspectus Electrocatalysts play an important role in catalyzing the kinetics for oxygen reduction and oxygen evolution reactions for many air-based energy storage and conversion devices, such as metal–air batteries and fuel cells. Although noble metals have been extensively used as electrocatalysts, their limited natural abundance and high costs have motivated the search for more cost-effective catalysts. Oxides are suitable candidates since they are relatively inexpensive and have shown reasonably high activity for various electrochemical reactions. However, a lack of fundamental understanding of the reaction mechanisms has been a major hurdle toward improving electrocatalytic activity. Detailed studies of the oxide surface atomic structure and chemistry (e.g., cation migration) can provide much needed insights for the design of highly efficient and stable oxide electrocatalysts. In this Account, we focus on recent advances in characterizing strontium (Sr) cation segregation and enrichment near the surface of Sr-substituted perovskite oxides under different operating conditions (e.g., high temperature, applied potential), as well as their influence on the surface oxygen exchange kinetics at elevated temperatures. We contrast Sr segregation, which is associated with Sr redistribution in the crystal lattice near the surface, with Sr enrichment, which involves Sr redistribution via the formation of secondary phases. The newly developed coherent Bragg rod analysis (COBRA) and energy-modulated differential COBRA are uniquely powerful ways of providing information about surface and interfacial cation segregation at the atomic scale for these thin film electrocatalysts. In situ ambient pressure X-ray photoelectron spectroscopy (APXPS) studies under electrochemical operating conditions give additional insights into cation migration. Direct COBRA and APXPS evidence for surface Sr segregation was found for La1–xSrxCoO3−δ and (La1–ySry)2CoO4±δ/La1–xSrxCoO3