WorldWideScience

Sample records for solid theoretical base

  1. Theoretical solid state physics

    International Nuclear Information System (INIS)

    Anon.

    1977-01-01

    Research activities at ORNL in theoretical solid state physics are described. Topics covered include: surface studies; particle-solid interactions; electronic and magnetic properties; and lattice dynamics

  2. Theoretical solid state physics

    CERN Document Server

    Haug, Albert

    2013-01-01

    Theoretical Solid State Physics, Volume 1 focuses on the study of solid state physics. The volume first takes a look at the basic concepts and structures of solid state physics, including potential energies of solids, concept and classification of solids, and crystal structure. The book then explains single-electron approximation wherein the methods for calculating energy bands; electron in the field of crystal atoms; laws of motion of the electrons in solids; and electron statistics are discussed. The text describes general forms of solutions and relationships, including collective electron i

  3. Solid surfaces : some theoretical aspects

    International Nuclear Information System (INIS)

    Das, M.P.

    1978-01-01

    An appraisal of the current situation concerning some of the theoretical aspects of solid surfaces is presented. First of all the characterization of the surfaces that involves the surface geometry and atomic composition for both the clean and adsorbed surfaces is discussed. Under this, the methods for determining the surface structure (such as low energy electron diffraction, field electron and field ion microscopy, photo emission spectroscopy and atomic scattering) and methods for determining the surface composition by the Auger electron spectroscopy are outlined. In the second part, emphasis is on the electronic structure of the clean and adsorbed surfaces. The measurements of ultra-violet and X-ray photo electron spectra are shown to yield the information about the surface electronic structure. In this context the many body effects such as, shake-up and relaxation energy etc. are discussed. Finally the status of the theory in relation to the experiments on angular resolved and polarization dependent photo emission are presented. (auth.)

  4. Theoretical aspects of solid waste incineration

    International Nuclear Information System (INIS)

    Tarbell, J.M.

    1975-01-01

    Theoretical considerations that may be incorporated into the design basis of a prototype incinerator for solid transuranic wastes are described. It is concluded that primary pyrolysis followed by secondary afterburning is a very unattractive incineration strategy unless waste resource recovery is a process goal. The absence of primary combustion air leads to poor waste dispersion with associated diffusion and conduction limitations rendering the process inefficient. Single step oxidative incineration is most attractive when volume reduction is of primary importance. The volume of this type of incinerator (including afterburner) should be relatively much smaller than the pyrolysis type. Afterburning is limited by soot oxidation when preceded by pyrolysis, but limited by turbulent mixing when preceded by direct solid waste oxidation. In either case, afterburner temperatures above 1300 0 K are not warranted. Results based on a nominal solid waste composition and anticipated throughput indicate that NO/sub x/, HF, and SO 2 will not exceed the ambient air quality standards. Control of radioactive particulates, which can be achieved by multiple HEPA filtration, will reduce the conventional particulate emission to the vanishing point. Chemical equilibrium calculations also indicate that chlorine and to a lesser extent fluorine may be precipitated out in the ash as sodium salts if a sufficient flux of sodium is introduced into the incinerator

  5. Theoretical solid state physics, v.2

    CERN Document Server

    Haug, Albert

    2013-01-01

    Theoretical Solid State Physics, Volume 2 deals with the electron-lattice interaction and the effect of lattice imperfections. Conductivity, semiconductors, and luminescence are discussed, with emphasis on the basic physical problems and the various phenomena derived from them. The theoretical basis of interaction between electrons and lattices is considered, along with basic concepts of conduction theory, scattering of electrons by imperfections, and radiationless transitions. This volume is comprised of 19 chapters and begins with an overview of the coupling of electrons and the crystal latt

  6. Theoretical considerations in solid bowl centrifugation

    International Nuclear Information System (INIS)

    Hamilton, R.T.

    1979-01-01

    A combination of literature survey and independent analysis determined three relationships for the prediction of the critical (or minimum recoverable) particle size in a solid bowl centrifuge. The relationships were derived based on three different theories of fluid behavior within the centrifuge; (1) laminar film flow (laminar film model), (2) plug flow (Sharples Model), and parabolic flow (modified Sharples Model). The critical particle size for the centrifuge used in Cs-PTA recovery in the CAW process predicted by the three relationships range from 0.19 to 0.34 μm (1 μm = 10 -6 m). The laminar film model gives the most conservative estimate of critical particle size (0.34 μm) and the resulting relationship is recommended for use to predict solid bowl centrifuge performance. Three correction factors are incorporated into the predictive equations to account for the effects of fluid turbulence near the centrifuge feed point, fluid lag and hindered settling. Of these factors, turbulence near the feed point (which is accounted for by using an effective centrifuge length) has the greatest impact, increasing the predicted critical particle size by 15%, while the combination of fluid lag and hindered settling factors increase the recoverable particle size by 4%. The overall effect of the correction factors is an approximately 20% decrease in centrifuge effectivity. The fraction of solids smaller than the critical size range has not been reliably determined for laboratory or plant prepared Cs-PTA. In addition, the density of Cs-PTA crystals is reported to vary from 3.2 to 12 grams per cubic centimeter

  7. Solid Base Catalysis

    CERN Document Server

    Ono, Yoshio

    2011-01-01

    The importance of solid base catalysts has come to be recognized for their environmentally benign qualities, and much significant progress has been made over the past two decades in catalytic materials and solid base-catalyzed reactions. The book is focused on the solid base. Because of the advantages over liquid bases, the use of solid base catalysts in organic synthesis is expanding. Solid bases are easier to dispose than liquid bases, separation and recovery of products, catalysts and solvents are less difficult, and they are non-corrosive. Furthermore, base-catalyzed reactions can be performed without using solvents and even in the gas phase, opening up more possibilities for discovering novel reaction systems. Using numerous examples, the present volume describes the remarkable role solid base catalysis can play, given the ever increasing worldwide importance of "green" chemistry. The reader will obtain an overall view of solid base catalysis and gain insight into the versatility of the reactions to whic...

  8. Theoretical aspects of positrons in imperfect solids

    International Nuclear Information System (INIS)

    Puska, M.J.

    1987-01-01

    The efficient use of positron annihilation in defect studies requires a deep understanding of the basic processes of positron-imperfect solid interaction. Three stages, i.e. thermalization, trapping by a defect, and the annihilation can be separated during the evolution of the interaction. The last two processes are the most relevant ones for the positron lifetime spectroscopy and they will be discussed in detail in this review. The complete solution of the problem of a localized positron interacting with the electrons around a defect requires the simultaneous self-consistent calculation of the electronic structure and the positron state. This is in principle possible in the two component density functional theory. However, the approximation, in which the electronic structure without the positron influence is used and the electron-positron correlation effects are described by local enhancement factors, has turned out to be feasible in practice and also accurate enough in predicting positron annihilation characteristics. Moreover, a non-self-consistent electron structure is sufficient in many cases. This enables an efficient calculation method in which the positron wave function can be solved in three dimensions for arbitrary defect geometries. Enhancement models for simple metals, transition metals, and semiconductors are represented. Thereafter, applications to vacancies, vacancy clusters, and vacancy-impurity complexes are shown. The positron trapping by defects is mediated by the transfer of the positron binding energy to the solid in the form of electron-hole pairs and phonons. The trapping phenomenon is discussed in the case of metals and semiconductors. Semiconductors are especially challenging because the existence of the energy gap makes the low energy electron-hole excitations impossible and because the defects have different charge states effecting strongly on the trapping rate. (author)

  9. Theoretical prediction of morphotropic compositions in Na1/2Bi1/2TiO3-based solid solutions from transition pressures

    Science.gov (United States)

    Gröting, Melanie; Albe, Karsten

    2014-02-01

    In this article we present a method based on ab initio calculations to predict compositions at morphotropic phase boundaries in lead-free perovskite solid solutions. This method utilizes the concept of flat free energy surfaces and involves the monitoring of pressure-induced phase transitions as a function of composition. As model systems, solid solutions of Na1/2Bi1/2TiO3 with the alkali substituted Li1/2Bi1/2TiO3 and K1/2Bi1/2TiO3 and the alkaline earth substituted CaTiO3 and BaTiO3 are chosen. The morphotropic compositions are identified by determining the composition at which the phase transition pressure equals zero. In addition, we discuss the different effects of hydrostatic pressure (compression and tension) and chemical substitution on the antiphase tilts about the [111] axis (a-a-a-) present in pure Na1/2Bi1/2TiO3 and how they develop in the two solid solutions Na1/2Bi1/2TiO3-CaTiO3 and Na1/2Bi1/2TiO3-BaTiO3. Finally, we discuss the advantages and shortcomings of this simple computational approach.

  10. Theoretical Studies on Photoionization Cross Sections of Solid Gold

    International Nuclear Information System (INIS)

    Ma Xiaoguang; Sun Weiguo; Cheng Yansong

    2005-01-01

    Accurate expression for photoabsorption (photoionization) cross sections of high density system proposed recently is used to study the photoionization of solid gold. The results show that the present theoretical photoionization cross sections have good agreement both in structure and in magnitude with the experimental results of gold crystal. The studies also indicate that both the real part ε' and the imaginary part ε'' of the complex dielectric constant ε, and the dielectric influence function of a nonideal system have rich structures in low energy side with a range about 50 eV, and suggest that the influence of particle interactions of surrounding particles with the photoionized particle on the photoionization cross sections can be easily investigated using the dielectric influence function. The electron overlap effects are suggested to be implemented in the future studies to improve the accuracy of theoretical photoionization cross sections of a solid system.

  11. Theoretical studies on core-level spectra of solids

    International Nuclear Information System (INIS)

    Kotani, Akio

    1995-01-01

    I present a review on theoretical studies of core-level spectra (CLS) in solids. In CLS, the dynamical response of outer electrons to a core hole is reflected through the screening of core hole potential. Impurity Anderson model (IAM) or cluster model is successfully applied to the analysis of X-ray photoemission spectra (XPS) and X-ray absorption spectra (XAS) in f and d electron systems, where the f and d electron states are hybridized with the other valence or conduction electron states. The effect of the core-hole potential in the final state of XPS and XAS plays an important role, as well as the solid state hybridization and intra-atomic multiplet coupling effects. As typical examples, the calculated results for XPS of rare-earth compounds and transition metal compounds are shown, and some discussions are given. As a subject of remarkable progress with high brightness synchrotron radiation sources, I discuss some theoretical aspects of X-ray emission spectra (XES) and their resonant enhancement at the X-ray absorption threshold. Some experimental data and their theoretical analysis are also given. (author)

  12. Electron Scattering in Solid Matter A Theoretical and Computational Treatise

    CERN Document Server

    Zabloudil, Jan; Szunyogh, Laszlo

    2005-01-01

    Addressing graduate students and researchers, this book gives a very detailed theoretical and computational description of multiple scattering in solid matter. Particular emphasis is placed on solids with reduced dimensions, on full potential approaches and on relativistic treatments. For the first time approaches such as the Screened Korringa-Kohn-Rostoker method that have emerged during the last 5 – 10 years are reviewed, considering all formal steps such as single-site scattering, structure constants and screening transformations, and also the numerical point of view. Furthermore, a very general approach is presented for solving the Poisson equation, needed within density functional theory in order to achieve self-consistency. Going beyond ordered matter and translationally invariant systems, special chapters are devoted to the Coherent Potential Approximation and to the Embedded Cluster Method, used, for example, for describing nanostructured matter in real space. In a final chapter, physical properties...

  13. Theoretical interpretation of forbidden transitions in solid hydrogen

    International Nuclear Information System (INIS)

    Balasubramanian, T.K.

    1997-01-01

    In particular, solid hydrogen as the archetypical molecular quantum solid, seems to present endless opportunities and challenges to experimentalists and theorists alike. This chapter briefly reviews certain aspects of infrared spectrum of solid hydrogen and outline how the various spectral features may be interpreted

  14. Theoretical approaches to control spin dynamics in solid-state ...

    Indian Academy of Sciences (India)

    We present fundamental theories in the history of NMR, namely, the average Hamiltonian and Floquet theories. We also ..... The results are better illustrated in a double ...... Matter 17 4501. 94. Ernst M 2006 Germany: Solid-State NMR Summer.

  15. Theoretical description of high-order harmonic generation in solids

    International Nuclear Information System (INIS)

    Kemper, A F; Moritz, B; Devereaux, T P; Freericks, J K

    2013-01-01

    We consider several aspects of high-order harmonic generation in solids: the effects of elastic and inelastic scattering, varying pulse characteristics and inclusion of material-specific parameters through a realistic band structure. We reproduce many observed characteristics of high harmonic generation experiments in solids including the formation of only odd harmonics in inversion-symmetric materials, and the nonlinear formation of high harmonics with increasing field. We find that the harmonic spectra are fairly robust against elastic and inelastic scattering. Furthermore, we find that the pulse characteristics can play an important role in determining the harmonic spectra. (paper)

  16. Theoretical calculation of solid particles deposition from the air

    Directory of Open Access Journals (Sweden)

    Bobro Milan

    2002-03-01

    Full Text Available This paper presents the calculation of harmful substance deposition (air pollution from the point source (Slanèo, et al., 2001 using equation (1. The point source shall be understood as e.g. chimneys of factory, heat plant, incinerator, boiler plant, local heating plant, etc.The theoretical calculation of concentration (1, or deposition (8 is based on the study of transfer and dispersion of pollution in air (Slanèo, et al., 2000a. The movement of pollution in air consists of a movement of the air itself and a relative movement of pollution particles and air, while the movement of harmful substance in the smoke trail is under the influence of turbulent diffusion, convection and gravitation. Molecular diffusion is not important in this process. When calculating concentrations (1 and deposition (8 of air pollution on a particular place near the source, it is assumed that the air speed is constant, the direction of wind does not change with the height and the source of air pollution is time-constant. The change in the wind speed with the height depends on the stability class of atmosphere (temperature gradient (Slanèo, et al., 2000a and it is calculated using equation (10.The theoretical calculation of concentration and or deposition of harmful substance from the point source (1 and (8 shall be applied if the harmful substance particles, which leave the source, have the same density (composition, shape (spherical and size.The experimental observations of dust deposition showed the significance of 0.1-20 µm particles. The application of equation (1 to calculate the concentration is conditioned, in addition to the recognition of source parameters and meteorological conditions, by the recognition of the particle sedimentation speed, which changes with the size of particle radius (2.For a practical calculation of deposition it is therefore necessary to know the differential distribution function f(r of particle radii, which can be made on the basis

  17. Theoretical Predictions of the thermodynamic Properties of Solid Sorbents Capture CO2 Applications

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Yuhua; Sorescu, Dan; Luebke David; Pennline, Henry

    2012-05-02

    We are establishing a theoretical procedure to identify most potential candidates of CO{sub 2} solid sorbents from a large solid material databank to meet the DOE programmatic goal for energy conversion; and to explore the optimal working conditions for the promising CO{sub 2} solid sorbents, especially from room to warm T ranges with optimal energy usage, used for both pre- and post-combustion capture technologies.

  18. Experimental and theoretical study of solid solution stability under irradiation

    International Nuclear Information System (INIS)

    Cauvin, Richard.

    1981-08-01

    The behavior of dilute alloys (Al-Zn, Al-Ag, Al-Si, Al-Ge and Al-Mg) under 1 MeV electron irradiation has been studied in a high voltage electron microscope. A phenomenon of homogeneous precipitation induced by irradiation in undersaturated solid solutions (Al-Zn, Al-Ag and Al-Si) has been discovered; the observed precipitates are either coherent or incoherent, but never associated with point defect sinks. The solubility limit is a function of irradiation temperature and flux; but, under irradiation, it does not behave as a true thermal solubility limit (without irradiation). The existing theories (kinetic or strictly thermodynamic) do not account for this phenomenon. It is shown that the irreversibility of the mutual recombination between trapped vacancies and mixed interstitials is the driving force of this homogeneous precipitation. Using a dilute solid solution model, we show that, under irradiation, the homogeneous stationary state, stable from a strictly thermodynamic point of view, can be unstable when the recombination reaction is taken into account. The solubility limit under irradiation is calculated with a nucleation-growth model taking account for this effect; it is proportional to the thermal solubility limit without irradiation. This model explains all the experimental observations [fr

  19. Theoretical analyses of superconductivity in iron based ...

    African Journals Online (AJOL)

    This paper focuses on the theoretical analysis of superconductivity in iron based superconductor Ba1−xKxFe2As2. After reviewing the current findings on this system, we suggest that phononexciton combined mechanism gives a right order of superconducting transition temperature (TC) for Ba1−xKxFe2As2 . By developing ...

  20. Theoretical calculations of positron annihilation characteristics in inorganic solids -- Recent advances and problems

    Science.gov (United States)

    Sob, M.; Sormann, H.; Kuriplach, J.

    Principles and applications of positron annihilation spectroscopy to electronic structure and defect studies are briefly reviewed and some recent advances and pending problems are illustrated by specific examples. In particular, it turns out that the sensitivity of calculated momentum densities of electron-positron annihilation pairs (MDAP) to the choice of electron crystal potential is higher or comparable to its sensitivity with respect to the choice of description of the electron-positron interaction. As a result, it is very hard to distinguish between various electron-positron interaction theories on the basis of the comparison of theoretical and experimental MDAPs. Furthermore, the positron affinity is determined theorttically for several systems having a band gap (semiconductors, insulators). It appears that the calculated positron affinities are significantly underestimated when compared to experimental data and, apparently, electron-positron interactions in such systems are not described satisfactorily by contemporary theoretical approaches. The above examples are related rather to electronic structure studies, but positrons are often used to investigate various open-volume defects in solids, which is dealt with in the last illustration. A non-selfconsistent computational technique suitable for the theoretical examination of configurations having large number (thousands) of non-equivalent atoms has been updated recently to treat non-periodic solids. It is based on the superposition of atomic densities in order to approximate the electronic density of the system studied. Though the charge redistribution due to selfconsistency effects is neglected, positron annihilation characteristics are determined quite reasonably. This allows for studying properties of extended defects like grain boundaries (and other interfaces), dislocations, precipitates, etc., which is very helpful when interpreting experimental positron annihilation data. Our technique is

  1. Propagation of shock waves in elastic solids caused by cavitation microjet impact. I: Theoretical formulation.

    Science.gov (United States)

    Zhong, P; Chuong, C J

    1993-07-01

    To understand the physical process of the impingement of cavitation microjet and the resultant shock wave propagation in an elastic solid, a theoretical model using geometrical acoustics was developed. Shock waves induced in both the jet head (water) and the solid were analyzed during a tri-supersonic impact configuration when the contact edge between the jet head and the elastic boundary expands faster than the longitudinal wave speed in the solid. Impact pressure at the boundary was solved using continuity conditions along the boundary normal. Reflection and refraction of shock waves from a solid-water interface were also included in the model. With this model, the impact pressure at the solid boundary and the stress, strain as well as velocity discontinuities at the propagating shock fronts were calculated. A comparison with results from previous studies shows that this model provides a more complete and general solution for the jet impact problem.

  2. Theoretical solid-state physics. From the classical models to modern themes of research. 3. upd. ed.

    International Nuclear Information System (INIS)

    Czycholl, Gerd

    2008-01-01

    This book gives an introduction in methods, contents, and results of modern solid-state physics. It is based on the fundamental course of theoretical physics, i. e. presupposed are knowledges in classical mechanics, electrodynamics, and especially quantum mechanics and statistical physics, as they are mediated in the at all German-speaking universities usual course in theoretical physics generally until the end of the 6th special semester. The especially for the treatment of many-body effects unavoidable formalism of the 2nd quantization (occupation number representation) is introduced and used in the book. The content reaches from the classical fields of solid-state physics (phonons and electrons in the periodic potentia, Bloch theorem, Hartree-Fock approximation, electron-phonon interactions) through fields of applications as superconductivity and magnetism until fields, which are actual object of research (for instance quantum Hall effect, high-temperature superconductivity). The third editions was comprehensively revised [de

  3. Decision support models for solid waste management: Review and game-theoretic approaches

    International Nuclear Information System (INIS)

    Karmperis, Athanasios C.; Aravossis, Konstantinos; Tatsiopoulos, Ilias P.; Sotirchos, Anastasios

    2013-01-01

    Highlights: ► The mainly used decision support frameworks for solid waste management are reviewed. ► The LCA, CBA and MCDM models are presented and their strengths, weaknesses, similarities and possible combinations are analyzed. ► The game-theoretic approach in a solid waste management context is presented. ► The waste management bargaining game is introduced as a specific decision support framework. ► Cooperative and non-cooperative game-theoretic approaches to decision support for solid waste management are discussed. - Abstract: This paper surveys decision support models that are commonly used in the solid waste management area. Most models are mainly developed within three decision support frameworks, which are the life-cycle assessment, the cost–benefit analysis and the multi-criteria decision-making. These frameworks are reviewed and their strengths and weaknesses as well as their critical issues are analyzed, while their possible combinations and extensions are also discussed. Furthermore, the paper presents how cooperative and non-cooperative game-theoretic approaches can be used for the purpose of modeling and analyzing decision-making in situations with multiple stakeholders. Specifically, since a waste management model is sustainable when considering not only environmental and economic but also social aspects, the waste management bargaining game is introduced as a specific decision support framework in which future models can be developed

  4. Decision support models for solid waste management: Review and game-theoretic approaches

    Energy Technology Data Exchange (ETDEWEB)

    Karmperis, Athanasios C., E-mail: athkarmp@mail.ntua.gr [Sector of Industrial Management and Operational Research, School of Mechanical Engineering, National Technical University of Athens, Iroon Polytechniou 9, 15780 Athens (Greece); Army Corps of Engineers, Hellenic Army General Staff, Ministry of Defence (Greece); Aravossis, Konstantinos; Tatsiopoulos, Ilias P.; Sotirchos, Anastasios [Sector of Industrial Management and Operational Research, School of Mechanical Engineering, National Technical University of Athens, Iroon Polytechniou 9, 15780 Athens (Greece)

    2013-05-15

    Highlights: ► The mainly used decision support frameworks for solid waste management are reviewed. ► The LCA, CBA and MCDM models are presented and their strengths, weaknesses, similarities and possible combinations are analyzed. ► The game-theoretic approach in a solid waste management context is presented. ► The waste management bargaining game is introduced as a specific decision support framework. ► Cooperative and non-cooperative game-theoretic approaches to decision support for solid waste management are discussed. - Abstract: This paper surveys decision support models that are commonly used in the solid waste management area. Most models are mainly developed within three decision support frameworks, which are the life-cycle assessment, the cost–benefit analysis and the multi-criteria decision-making. These frameworks are reviewed and their strengths and weaknesses as well as their critical issues are analyzed, while their possible combinations and extensions are also discussed. Furthermore, the paper presents how cooperative and non-cooperative game-theoretic approaches can be used for the purpose of modeling and analyzing decision-making in situations with multiple stakeholders. Specifically, since a waste management model is sustainable when considering not only environmental and economic but also social aspects, the waste management bargaining game is introduced as a specific decision support framework in which future models can be developed.

  5. Theoretical Investigation of Bismuth-Based Semiconductors for Photocatalytic Applications

    KAUST Repository

    Laradhi, Shaikhah

    2017-11-01

    Converting solar energy to clean fuel has gained remarkable attention as an emerged renewable energy resource but optimum efficiency in photocatalytic applications has not yet been reached. One of the dominant factors is designing efficient photocatalytic semiconductors. The research reveals a theoretical investigation of optoelectronic properties of bismuth-based metal oxide and oxysulfide semiconductors using highly accurate first-principles quantum method based on density functional theory along with the range-separated hybrid HSE06 exchange-correlation functional. First, bismuth titanate compounds including Bi12TiO20, Bi4Ti3O12, and Bi2Ti2O7 were studied in a combined experimental and theoretical approach to prove its photocatalytic activity under UV light. They have unique bismuth layered structure, tunable electronic properties, high dielectric constant and low electron and effective masses in one crystallographic direction allowing for good charge separation and carrier diffusion properties. The accuracy of the investigation was determined by the good agreement between experimental and theoretical values. Next, BiVO4 with the highest efficiency for oxygen evolution was investigated. A discrepancy between the experimental and theoretical bandgap was reported and inspired a systematic study of all intrinsic defects of the material and the corresponding effect on the optical and transport properties. A candidate defective structure was proposed for an efficient photocatalytic performance. To overcome the carrier transport limitation, a mild hydrogen treatment was also introduced. Carrier lifetime was enhanced due to a significant reduction of trap-assisted recombination, either via passivation of deep trap states or reduction of trap state density. Finally, an accurate theoretical approach to design a new family of semiconductors with enhanced optoelectronic properties for water splitting was proposed. We simulated the solid solutions Bi1−xRExCuOS (RE = Y, La

  6. Theoretical prediction of ion conductivity in solid state HfO2

    Science.gov (United States)

    Zhang, Wei; Chen, Wen-Zhou; Sun, Jiu-Yu; Jiang, Zhen-Yi

    2013-01-01

    A theoretical prediction of ion conductivity for solid state HfO2 is carried out in analogy to ZrO2 based on the density functional calculation. Geometric and electronic structures of pure bulks exhibit similarity for the two materials. Negative formation enthalpy and negative vacancy formation energy are found for YSH (yttria-stabilized hafnia) and YSZ (yttria-stabilized zirconia), suggesting the stability of both materials. Low activation energies (below 0.7 eV) of diffusion are found in both materials, and YSH's is a little higher than that of YSZ. In addition, for both HfO2 and ZrO2, the supercells with native oxygen vacancies are also studied. The so-called defect states are observed in the supercells with neutral and +1 charge native vacancy but not in the +2 charge one. It can give an explanation to the relatively lower activation energies of yttria-doped oxides and +2 charge vacancy supercells. A brief discussion is presented to explain the different YSH ion conductivities in the experiment and obtained by us, and we attribute this to the different ion vibrations at different temperatures.

  7. Theoretical modelling and experimental study of air thermal conditioning process of a heat pump assisted solid desiccant cooling system

    DEFF Research Database (Denmark)

    Nie, Jinzhe; Li, Zan; Hu, Wenju

    2017-01-01

    purification aimed at improving indoor air quality and reducing building energy consumption. The heat and moisture transfer in adsorption desiccant rotor was theoretical modelled with one-dimensional partial differential equations. The theoretical model was validated with experimental measurements...... system, the energy performance of HP-SDC was more efficient mainly due to high efficient air purification capacity, reduction of cooling load and raised evaporation temperature. The energy performance of HP-SDC was sensitive to outdoor humidity ratio. Further improvements of HP-SDC energy efficiency......Taking the integrated gaseous contaminants and moisture adsorption potential of desiccant material, a new heat pump assisted solid desiccant cooling system (HP-SDC) was proposed based on the combination of desiccant rotor with heat pump. The HP-SDC was designed for dehumidification, cooling and air...

  8. Theoretical approach in optimization of stability of the multicomponent solid waste form

    International Nuclear Information System (INIS)

    Raicevic, S.; Plecas, I.; Mandic, M.

    1998-01-01

    Chemical precipitation of radionuclides and their immobilization into the solid matrix represents an important approach in the radioactive wastewater treatment. Unfortunately, because of the complexity of the system, optimization of this process in terms of its efficacy and safety represents a serious practical problem, even in treatment of the monocomponent nuclear waste. This situation is additionally complicated in the case of the polycomponent nuclear waste because of the synergic effects of interactions between the radioactive components and the solid matrix. Recently, we have proposed a general theoretical approach for optimization of the process of precipitation and immobilization of metal impurities by the solid matrix. One of the main advantages of this approach represents the possibility of treatment of the multicomponent liquid waste, immobilized by the solid matrix. This approach was used here for investigation of the stability of the system hydroxyapatite (HAP) - Pb/Cd, which was selected as a model multicomponent waste system. In this analysis, we have used a structurally dependent term of the cohesive energy as a stability criterion. (author)

  9. Ni-Based Solid Oxide Cell Electrodes

    DEFF Research Database (Denmark)

    Mogensen, Mogens Bjerg; Holtappels, Peter

    2013-01-01

    This paper is a critical review of the literature on nickel-based electrodes for application in solid oxide cells at temperature from 500 to 1000 _C. The applications may be fuel cells or electrolyser cells. The reviewed literature is that of experimental results on both model electrodes...... and practical composite cermet electrodes. A substantially longer three-phase boundary (TPB) can be obtained per unit area of cell in such a composite of nickel and electrolyte material, provided that two interwoven solid networks of the two solid and one gaseous phases are obtained to provide a three...

  10. Theoretical Semi-Empirical AM1 studies of Schiff Bases

    International Nuclear Information System (INIS)

    Arora, K.; Burman, K.

    2005-01-01

    The present communication reports the theoretical semi-empirical studies of schiff bases of 2-amino pyridine along with their comparison with their parent compounds. Theoretical studies reveal that it is the azomethine group, in the schiff bases under study, that acts as site for coordination to metals as it is reported by many coordination chemists. (author)

  11. Theoretical study on phase coexistence in ferroelectric solid solutions near the tricritical point

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Xiaoyan, E-mail: luxy@hit.edu.cn, E-mail: dzk@psu.edu; Li, Hui [Key Lab of Structures Dynamic Behavior and Control of the Ministry of Education, School of Civil Engineering, Harbin Institute of Technology, Harbin 150001 (China); Zheng, Limei [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150001 (China); Cao, Wenwu [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150001 (China); Department of Mathematics and Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2015-04-07

    Phase coexistence in ferroelectric solid solutions near the tricritical point has been theoretically analyzed by using the Landau-Devonshire theory. Results revealed that different phases having similar potential wells could coexist in a narrow composition range near the tricritical point in the classical Pb(Zr{sub 1−x}Ti{sub x})O{sub 3} system. The potential barrier between potential wells increases with the decrease of temperature. Coexisting phases or different domains of the same phase can produce adaptive strains to maintain atomic coherency at the interfaces or domain walls. Such compatibility strains have influence on the energy potential as well as the stability of relative phases, leading to the appearance of energetically unfavorable monoclinic phases. Those competing and coexisting phases also construct an easy phase transition path with small energy barrier in between, so that very small stimuli can produce large response in compositions near the morphotropic phase boundary, especially near the tricritical point.

  12. Theoretical study on phase coexistence in ferroelectric solid solutions near the tricritical point

    International Nuclear Information System (INIS)

    Lu, Xiaoyan; Li, Hui; Zheng, Limei; Cao, Wenwu

    2015-01-01

    Phase coexistence in ferroelectric solid solutions near the tricritical point has been theoretically analyzed by using the Landau-Devonshire theory. Results revealed that different phases having similar potential wells could coexist in a narrow composition range near the tricritical point in the classical Pb(Zr 1−x Ti x )O 3 system. The potential barrier between potential wells increases with the decrease of temperature. Coexisting phases or different domains of the same phase can produce adaptive strains to maintain atomic coherency at the interfaces or domain walls. Such compatibility strains have influence on the energy potential as well as the stability of relative phases, leading to the appearance of energetically unfavorable monoclinic phases. Those competing and coexisting phases also construct an easy phase transition path with small energy barrier in between, so that very small stimuli can produce large response in compositions near the morphotropic phase boundary, especially near the tricritical point

  13. Theoretical analysis for the specific heat and thermal parameters of solid C60

    Science.gov (United States)

    Soto, J. R.; Calles, A.; Castro, J. J.

    1997-08-01

    We present the results of a theoretical analysis for the thermal parameters and phonon contribution to the specific heat in solid C60. The phonon contribution to the specific heat is calculated through the solution of the corresponding dynamical matrix, for different points in the Brillouin zone, and the construccion of the partial and generalized phonon density of states. The force constants are obtained from a first principle calculation, using a SCF Hartree-Fock wave function from the Gaussian 92 program. The thermal parameters reported are the effective temperatures and vibrational amplitudes as a function of temperature. Using this model we present a parametization scheme in order to reproduce the general behaviour of the experimental specific heat for these materials.

  14. Experimental and theoretical studies on the gas/solid/gas transformation cycle in extraterrestrial environments

    Science.gov (United States)

    Cottin, Hervé; Gazeau, Marie-Claire; Chaquin, Patrick; Raulin, François; Bénilan, Yves

    2001-12-01

    The ubiquity of molecular material in the universe, from hydrogen to complex organic matter, is the result of intermixed physicochemical processes that have occurred throughout history. In particular, the gas/solid/gas phase transformation cycle plays a key role in chemical evolution of organic matter from the interstellar medium to planetary systems. This paper focuses on two examples that are representative of the diversity of environments where such transformations occur in the Solar System: (1) the photolytic evolution from gaseous to solid material in methane containing planetary atmospheres and (2) the degradation of high molecular weight compounds into gas phase molecules in comets. We are currently developing two programs which couple experimental and theoretical studies. The aim of this research is to provide data necessary to build models in order to better understand (1) the photochemical evolution of Titan's atmosphere, through a laboratory program to determine quantitative spectroscopic data on long carbon chain molecules (polyynes) obtained in the SCOOP program (French acronym for Spectroscopy of Organic Compounds Oriented for Planetology), and (2) the extended sources in comets, through a laboratory program of quantitative studies of photochemical and thermal degradation processes on relevant polymers (e.g., Polyoxymethylene) by the SEMAPhOrE Cometaire program (French acronym for Experimental Simulation and Modeling Applied to Organic Chemistry in Cometary Environment).

  15. Exploration of solids based on representation systems

    Directory of Open Access Journals (Sweden)

    Publio Suárez Sotomonte

    2011-01-01

    Full Text Available This article refers to some of the findings of a research project implemented as a teaching strategy to generate environments for the learning of platonic and archimedean solids, with a group of eighth grade students. This strategy was based on the meaningful learning approach and on the use of representation systems using the ontosemiotic approach in mathematical education, as a framework for the construction of mathematical concepts. This geometry teaching strategy adopts the stages of exploration, representation-modeling, formal construction and study of applications. It uses concrete, physical and tangible materials for origami, die making, and structures for the construction of threedimensional solids considered external tangible solid representation systems, as well as computer based educational tools to design dynamic geometry environments as intangible external representation systems.These strategies support both the imagination and internal systems of representation, fundamental to the comprehension of geometry concepts.

  16. Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells.

    Science.gov (United States)

    Kuklja, M M; Kotomin, E A; Merkle, R; Mastrikov, Yu A; Maier, J

    2013-04-21

    Solid oxide fuel cells (SOFC) are under intensive investigation since the 1980's as these devices open the way for ecologically clean direct conversion of the chemical energy into electricity, avoiding the efficiency limitation by Carnot's cycle for thermochemical conversion. However, the practical development of SOFC faces a number of unresolved fundamental problems, in particular concerning the kinetics of the electrode reactions, especially oxygen reduction reaction. We review recent experimental and theoretical achievements in the current understanding of the cathode performance by exploring and comparing mostly three materials: (La,Sr)MnO3 (LSM), (La,Sr)(Co,Fe)O3 (LSCF) and (Ba,Sr)(Co,Fe)O3 (BSCF). Special attention is paid to a critical evaluation of advantages and disadvantages of BSCF, which shows the best cathode kinetics known so far for oxides. We demonstrate that it is the combined experimental and theoretical analysis of all major elementary steps of the oxygen reduction reaction which allows us to predict the rate determining steps for a given material under specific operational conditions and thus control and improve SOFC performance.

  17. Development of hydrazinium nitroformate based solid propellants

    NARCIS (Netherlands)

    Schöyer, H.F.R.; Schnorhk, A.J.; Korting, P.A.O.G.; Lit, P.J. van; Mul, J.M.; Gadiot, G.; Meulenbrugge, J.J.

    1995-01-01

    The development of new high-performance propellant combinations requires the establishment of safety and handling characteristics and thermodynamic decomposition and explosive properties. This paper addresses the early development phases of a new composite solid propellant based on HNF as oxidizer

  18. Theoretical frameworks informing family-based child and adolescent obesity interventions

    DEFF Research Database (Denmark)

    Alulis, Sarah; Grabowski, Dan

    2017-01-01

    into focus. However, the use of theoretical frameworks to strengthen these interventions is rare and very uneven. OBJECTIVE AND METHOD: To conduct a qualitative meta-synthesis of family-based interventions for child and adolescent obesity to identify the theoretical frameworks applied, thus understanding how...... inconsistencies and a significant void between research results and health care practice. Based on the analysis, this article proposes three themes to be used as focus points when designing future interventions and when selecting theories for the development of solid, theory-based frameworks for application...... cognitive, self-efficacy and Family Systems Theory appeared most frequently. The remaining 24 were classified as theory-related as theoretical elements of self-monitoring; stimulus control, reinforcement and modelling were used. CONCLUSION: The designs of family-based interventions reveal numerous...

  19. Developing a theoretical framework for complex community-based interventions.

    Science.gov (United States)

    Angeles, Ricardo N; Dolovich, Lisa; Kaczorowski, Janusz; Thabane, Lehana

    2014-01-01

    Applying existing theories to research, in the form of a theoretical framework, is necessary to advance knowledge from what is already known toward the next steps to be taken. This article proposes a guide on how to develop a theoretical framework for complex community-based interventions using the Cardiovascular Health Awareness Program as an example. Developing a theoretical framework starts with identifying the intervention's essential elements. Subsequent steps include the following: (a) identifying and defining the different variables (independent, dependent, mediating/intervening, moderating, and control); (b) postulating mechanisms how the independent variables will lead to the dependent variables; (c) identifying existing theoretical models supporting the theoretical framework under development; (d) scripting the theoretical framework into a figure or sets of statements as a series of hypotheses, if/then logic statements, or a visual model; (e) content and face validation of the theoretical framework; and (f) revising the theoretical framework. In our example, we combined the "diffusion of innovation theory" and the "health belief model" to develop our framework. Using the Cardiovascular Health Awareness Program as the model, we demonstrated a stepwise process of developing a theoretical framework. The challenges encountered are described, and an overview of the strategies employed to overcome these challenges is presented.

  20. Solid electroytes for CNT-based actuators

    Science.gov (United States)

    Riemenschneider, Johannes; Geier, Sebastian; Mahrholz, Thorsten; Mosch, Jürgen; Monner, Hans Peter; Sinapius, Michael

    2009-03-01

    Actuators based on carbon nanotubes (CNT) have the potential to generate high forces at very low voltages. The density of the raw material is just 1330 kg/m3, which makes them well applicable for lightweight applications. Moreover, active strains of up to 1% can be achieved - due to the CNTs dimensional changes on charge injection. Therefore the nanotubes have to be arranged and electrically wired like electrodes of a capacitor. In previous works the system's response of the Nanotubes comprising a liquid electrolyte was studied in detail. The major challenge is to repeat such experiments with solid electrolytes, which is a prerequisite for structural integration. In this paper a method is proposed which makes sure the expansion is not based on thermal expansion. This is done by analysing the electrical system response. As thermal expansion is dominated by ohmic resistance the CNT based actuators show a strong capacitive behavior. This behavior is referable to the constitution of the electrochemical double layer around the nanotubes, which causes the tubes to expand. Also a novel test setup is described, which guarantees that the displacement which is measured will not be caused by bending of a bimorph but due to expansion of a single layer of nanotubes. This paper also presents experimental results demonstrating both, the method of electrical characterization of CNT based actuators with implemented solid electrolytes and the novel test setup which is used to measure the needed data. The actuators which were characterized are hybrids of CNT and the solid electrolyte NAFION which is supplying the ions needed to constitute the electrochemical double layer. The manufacturing, processing of these actuators and also some first experimental results are shown. Unfortunately, the results are not as clear as those for liquid electrolytes, which depend on the hybrid character of the analyzed devices. In the liquid electrolyte based case the CNTs are the only source of

  1. Preparation and characterization of a novel polymeric based solid-solid phase change heat storage material

    International Nuclear Information System (INIS)

    Xi Peng; Gu Xiaohua; Cheng Bowen; Wang Yufei

    2009-01-01

    Here we reported a two-step procedure for preparing a novel polymeric based solid-solid phase change heat storage material. Firstly, a copolymer monomer containing a polyethylene glycol monomethyl ether (MPEG) phase change unit and a vinyl unit was synthesized via the modification of hydrogen group of MPEG. Secondly, by copolymerization of the copolymer monomer and phenyl ethylene, a novel polymeric based solid-solid phase change heat storage material was prepared. The composition, structure and properties of the novel polymeric based solid-solid phase change material were characterized by IR, 1 H NMR, DSC, WAXD, and POM, respectively. The results show that the novel polymeric based solid-solid phase change material possesses of excellent crystal properties and high phase change enthalpy.

  2. Theoretical voltammetric response of electrodes coated by solid polymer electrolyte membranes.

    Science.gov (United States)

    Gómez-Marín, Ana M; Hernández-Ortíz, Juan P

    2014-09-24

    A model for the differential capacitance of metal electrodes coated by solid polymer electrolyte membranes, with acid/base groups attached to the membrane backbone, and in contact with an electrolyte solution is developed. With proper model parameters, the model is able to predict a limit response, given by Mott-Schottky or Gouy-Chapman-Stern theories depending on the dissociation degree and the density of ionizable acid/base groups. The model is also valid for other ionic membranes with proton donor/acceptor molecules as membrane counterions. Results are discussed in light of the electron transfer rate at membrane-coated electrodes for electrochemical reactions that strongly depend on the double layer structure. In this sense, the model provides a tool towards the understanding of the electro-catalytic activity on modified electrodes. It is shown that local maxima and minima in the differential capacitance as a function of the electrode potential may occur as consequence of the dissociation of acid/base molecular species, in absence of specific adsorption of immobile polymer anions on the electrode surface. Although the model extends the conceptual framework for the interpretation of cyclic voltammograms for these systems and the general theory about electrified interfaces, structural features of real systems are more complex and so, presented results only are qualitatively compared with experiments. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Inference-based procedural modeling of solids

    KAUST Repository

    Biggers, Keith

    2011-11-01

    As virtual environments become larger and more complex, there is an increasing need for more automated construction algorithms to support the development process. We present an approach for modeling solids by combining prior examples with a simple sketch. Our algorithm uses an inference-based approach to incrementally fit patches together in a consistent fashion to define the boundary of an object. This algorithm samples and extracts surface patches from input models, and develops a Petri net structure that describes the relationship between patches along an imposed parameterization. Then, given a new parameterized line or curve, we use the Petri net to logically fit patches together in a manner consistent with the input model. This allows us to easily construct objects of varying sizes and configurations using arbitrary articulation, repetition, and interchanging of parts. The result of our process is a solid model representation of the constructed object that can be integrated into a simulation-based environment. © 2011 Elsevier Ltd. All rights reserved.

  4. Theoretical bases analysis of scientific prediction on marketing principles

    OpenAIRE

    A.S. Rosohata

    2012-01-01

    The article presents an overview categorical apparatus of scientific predictions and theoretical foundations results of scientific forecasting. They are integral part of effective management of economic activities. The approaches to the prediction of scientists in different fields of Social science and the categories modification of scientific prediction, based on principles of marketing are proposed.

  5. Theoretical voltammetric response of electrodes coated by solid polymer electrolyte membranes

    International Nuclear Information System (INIS)

    Gómez-Marín, Ana M.; Hernández-Ortíz, Juan P.

    2014-01-01

    Highlights: • Discretized model for an interface of covered electrodes. • Two limiting behaviors are capture: double-layer and conductive interfaces. • Additional phenomena are included easily: acid/base equilibrium, ion mobility. • The model provides explanations to observed phenomena that is vaguely explained in the literature. • Implications on electrodes in fuel cells are given and it opens avenues to understand and design such systems. - Abstract: A model for the differential capacitance of metal electrodes coated by solid polymer electrolyte membranes, with acid/base groups attached to the membrane backbone, and in contact with an electrolyte solution is developed. With proper model parameters, the model is able to predict a limit response, given by Mott–Schottky or Gouy–Chapman–Stern theories depending on the dissociation degree and the density of ionizable acid/base groups. The model is also valid for other ionic membranes with proton donor/acceptor molecules as membrane counterions. Results are discussed in light of the electron transfer rate at membrane-coated electrodes for electrochemical reactions that strongly depend on the double layer structure. In this sense, the model provides a tool towards the understanding of the electro-catalytic activity on modified electrodes. It is shown that local maxima and minima in the differential capacitance as a function of the electrode potential may occur as consequence of the dissociation of acid/base molecular species, in absence of specific adsorption of immobile polymer anions on the electrode surface. Although the model extends the conceptual framework for the interpretation of cyclic voltammograms for these systems and the general theory about electrified interfaces, structural features of real systems are more complex and so, presented results only are qualitatively compared with experiments

  6. Solid radiation curable polyene compositions containing liquid polythiols and solid styrene-allyl copolymer based polyenes

    International Nuclear Information System (INIS)

    Morgan, C.R.

    1977-01-01

    Novel styrene-allyl alcohol copolymer based solid polyene compositions which when mixed with liquid polythiols can form solid curable polyene-polythiol systems are claimed. These solid polyenes, containing at least two reactive carbon-to-carbon unsaturated bonds, are urethane or ester derivatives of styrene-allyl alcohol copolymers. The solid polyenes are prepared by treating the hydroxyl groups of a styrene-allyl alcohol copolymer with a reactive unsaturated isocyanate, e.g., allyl isocyanate or a reactive unsaturated carboxylic acid, e.g., acrylic acid. Upon exposure to a free radical generator, e.g., actinic radiation, the solid polyene-polythiol compositions cure to solid, insoluble, chemically resistant, cross-linked polythioether products. Since the solid polyene-liquid polythiol composition can be cured in a solid state, such a curable system finds particular use in preparation of coatings, imaged surfaces such as photoresists, particularly solder-resistant photoresists, printing plates, etc

  7. Theoretical model of droplet wettability on a low-surface-energy solid under the influence of gravity.

    Science.gov (United States)

    Yonemoto, Yukihiro; Kunugi, Tomoaki

    2014-01-01

    The wettability of droplets on a low surface energy solid is evaluated experimentally and theoretically. Water-ethanol binary mixture drops of several volumes are used. In the experiment, the droplet radius, height, and contact angle are measured. Analytical equations are derived that incorporate the effect of gravity for the relationships between the droplet radius and height, radius and contact angle, and radius and liquid surface energy. All the analytical equations display good agreement with the experimental data. It is found that the fundamental wetting behavior of the droplet on the low surface energy solid can be predicted by our model which gives geometrical information of the droplet such as the contact angle, droplet radius, and height from physical values of liquid and solid.

  8. Theoretical and experimental studies of optical feedback on solid-state lasers

    International Nuclear Information System (INIS)

    Kervevan, L.

    2006-12-01

    The main objective of this Phd thesis was to implement solid-state lasers based on codoped Yb 3+ :Er 3+ phosphate glasses pumped by laser diode and to study their behavior when submitted to an optical feedback. This kind of lasers presents as main advantages a very high sensibility to the optical feedback due to the optical properties of the Er 3+ ion enhancing the relaxation oscillations. Moreover, the emission wavelength around 1,535 μm belongs to the eye safe spectral domain. First, we have established the rate equations of the population inversion and the electric field for a three-level laser (Yb:Er) submitted to an optical feedback. We have done a comparative study of the influence of the amplifying medium (three-level system Yb:Er or four-level system LNA:Nd) and cavity parameters on the sensitivity due to the optical feedback. The home-made lasers were implemented in optical feedback experiments allowing original measurement of speed, absolute distance or vibration for optical detection of sound restitution. The fourth part of this thesis deals with the behavior a dual frequency laser submitted to a optical feedback. Such a laser oscillates simultaneously on two polarization eigenstates whose optical frequencies are slightly different. The beating mode between these two eigenstates allows self-heterodyne detection. (author)

  9. Electrochemical hydrogen isotope sensor based on solid electrolytes

    International Nuclear Information System (INIS)

    Matsumoto, Hiroshige; Hayashi, Hiroyuki; Iwahara, Hiroyasu

    2002-01-01

    An electrochemical sensor of hydrogen isotopes based on solid electrolytes for determining the hydrogen isotope ratios and/or total hydrogen pressures in gases has been developed. This paper describes the methodology of the hydrogen isotope sensing together with experimental results. When hydrogen isotope gases are introduced to an electrochemical cell using a proton-conducting electrolyte (hydrogen isotope cell), the electromotive force (EMF) of the cell agrees with that theoretically estimated. The EMF signals can be used for the determination of the hydrogen isotope ratio in gases if the total hydrogen pressure is predetermined. By supplementary use of an oxide ion conductor cell, both the ratio and total pressure of the hydrogen isotopes can be simultaneously determined. (author)

  10. Simulation based engineering in solid mechanics

    CERN Document Server

    Rao, J S

    2017-01-01

    This book begins with a brief historical perspective of the advent of rotating machinery in 20th century Solid Mechanics and the development of the discipline of the Strength of Materials. High Performance Computing (HPC) and Simulation Based Engineering Science (SBES) have gradually replaced the conventional approach in Design bringing science directly into engineering without approximations. A recap of the required mathematical principles is given. The science of deformation, strain and stress at a point under the application of external traction loads is next presented. Only one-dimensional structures classified as Bars (axial loads), Rods (twisting loads) and Beams (bending loads) are considered in this book. The principal stresses and strains and von Mises stress and strain that used in design of structures are next presented. Lagrangian solution was used to derive the governing differential equations consistent with assumed deformation field and solution for deformations, strains and stresses were obtai...

  11. Comparison of subset-based local and FE-based global digital image correlation: Theoretical error analysis and validation

    KAUST Repository

    Pan, B.

    2016-03-22

    Subset-based local and finite-element-based (FE-based) global digital image correlation (DIC) approaches are the two primary image matching algorithms widely used for full-field displacement mapping. Very recently, the performances of these different DIC approaches have been experimentally investigated using numerical and real-world experimental tests. The results have shown that in typical cases, where the subset (element) size is no less than a few pixels and the local deformation within a subset (element) can be well approximated by the adopted shape functions, the subset-based local DIC outperforms FE-based global DIC approaches because the former provides slightly smaller root-mean-square errors and offers much higher computation efficiency. Here we investigate the theoretical origin and lay a solid theoretical basis for the previous comparison. We assume that systematic errors due to imperfect intensity interpolation and undermatched shape functions are negligibly small, and perform a theoretical analysis of the random errors or standard deviation (SD) errors in the displacements measured by two local DIC approaches (i.e., a subset-based local DIC and an element-based local DIC) and two FE-based global DIC approaches (i.e., Q4-DIC and Q8-DIC). The equations that govern the random errors in the displacements measured by these local and global DIC approaches are theoretically derived. The correctness of the theoretically predicted SD errors is validated through numerical translation tests under various noise levels. We demonstrate that the SD errors induced by the Q4-element-based local DIC, the global Q4-DIC and the global Q8-DIC are 4, 1.8-2.2 and 1.2-1.6 times greater, respectively, than that associated with the subset-based local DIC, which is consistent with our conclusions from previous work. © 2016 Elsevier Ltd. All rights reserved.

  12. Theoretical bases on thermal stability of layered metallic systems

    International Nuclear Information System (INIS)

    Kadyrzhanov, K.K.; Rusakov, V.S.; Turkebaev, T.Eh.; Zhankadamova, A.M.; Ensebaeva, M.Z.

    2003-01-01

    The paper is dedicated to implementation of the theoretical bases for layered metallic systems thermal stabilization. The theory is based on the stabilization mechanism expense of the intermediate two-phase field formation. As parameters of calculated model are coefficients of mutual diffusion and inclusions sizes of generated phases in two-phase fields. The stabilization time dependence for beryllium-iron (Be (1.1 μm)-Fe(5.5 μm)) layered system from iron and beryllium diffusion coefficients, and inclusions sizes is shown as an example. Conclusion about possible mechanisms change at transition from microscopic consideration to the nano-crystal physics level is given

  13. Theoretical analysis of municipal solid waste treatment by leachate recirculation under anaerobic and aerobic conditions

    NARCIS (Netherlands)

    van Turnhout, A.G.; Brandstätter, Christian; Kleerebezem, R.; Fellner, Johann; Heimovaara, T.J.

    2018-01-01

    Long-term emissions of Municipal Solid Waste (MSW) landfills are a burden for future generations because of the required long-term aftercare. To shorten aftercare, treatment methods have to be developed that reduce long-term emissions. A treatment method that reduces emissions at a lysimeter

  14. Model study on transesterification of soybean oil to biodiesel with methanol using solid base catalyst.

    Science.gov (United States)

    Liu, Xuejun; Piao, Xianglan; Wang, Yujun; Zhu, Shenlin

    2010-03-25

    Modeling of the transesterification of vegetable oils to biodiesel using a solid base as a catalyst is very important because the mutual solubilities of oil and methanol will increase with the increasing biodiesel yield. The heterogeneous liquid-liquid-solid reaction system would become a liquid-solid system when the biodiesel reaches a certain content. In this work, we adopted a two-film theory and a steady state approximation assumption, then established a heterogeneous liquid-liquid-solid model in the first stage. After the diffusion coefficients on the liquid-liquid interface and the liquid-solid interface were calculated on the basis of the properties of the system, the theoretical value of biodiesel productivity changing with time was obtained. The predicted values were very near the experimental data, which indicated that the proposed models were suitable for the transesterification of soybean oil to biodiesel when solid bases were used as catalysts. Meanwhile, the model indicated that the transesterification reaction was controlled by both mass transfer and reaction. The total resistance will decrease with the increase in biodiesel yield in the liquid-liquid-solid stage. The solid base catalyst exhibited an activation energy range of 9-20 kcal/mol, which was consistent with the reported activation energy range of homogeneous catalysts.

  15. Introduction to solid supported membrane based electrophysiology.

    Science.gov (United States)

    Bazzone, Andre; Costa, Wagner Steuer; Braner, Markus; Călinescu, Octavian; Hatahet, Lina; Fendler, Klaus

    2013-05-11

    The electrophysiological method we present is based on a solid supported membrane (SSM) composed of an octadecanethiol layer chemisorbed on a gold coated sensor chip and a phosphatidylcholine monolayer on top. This assembly is mounted into a cuvette system containing the reference electrode, a chlorinated silver wire. After adsorption of membrane fragments or proteoliposomes containing the membrane protein of interest, a fast solution exchange is used to induce the transport activity of the membrane protein. In the single solution exchange protocol two solutions, one non-activating and one activating solution, are needed. The flow is controlled by pressurized air and a valve and tubing system within a faraday cage. The kinetics of the electrogenic transport activity is obtained via capacitive coupling between the SSM and the proteoliposomes or membrane fragments. The method, therefore, yields only transient currents. The peak current represents the stationary transport activity. The time dependent transporter currents can be reconstructed by circuit analysis. This method is especially suited for prokaryotic transporters or eukaryotic transporters from intracellular membranes, which cannot be investigated by patch clamp or voltage clamp methods.

  16. Effect of bulky substituents on thiopyrylium polymethine aggregation in the solid state: A theoretical evaluation of the implications for all-optical switching applications

    KAUST Repository

    Gieseking, Rebecca L.; Mukhopadhyay, Sukrit; Risko, Chad; Marder, Seth R.; Bredas, Jean-Luc

    2014-01-01

    and limit their utility. Here, we examine the impact of a series of bulky substituents on the solid-state molecular packing of thiopyrylium polymethines by using a theoretical approach combining molecular-dynamics simulations and quantum

  17. Inference-based procedural modeling of solids

    KAUST Repository

    Biggers, Keith; Keyser, John

    2011-01-01

    As virtual environments become larger and more complex, there is an increasing need for more automated construction algorithms to support the development process. We present an approach for modeling solids by combining prior examples with a simple

  18. Theoretical aspects of the Semkow fractal model in the radon emanation in solids

    International Nuclear Information System (INIS)

    Cruz G, H.S.

    1997-01-01

    The basic elements of the Fractals theory are developed. The physical basis of radon emission in solids are described briefly. It is obtained that the emanation power E R of mineral grains is scaled as r 0 D-3 (r 0 : grain radius). From a logarithmic graph E R versus grain size is deduced the fractal dimension of the emanation surface. The experimental data of different materials give an interval in the fractal dimension D between 2.1 and 2.8 (Author)

  19. Theoretical performance of hydrogen-bromine rechargeable SPE fuel cell. [Solid Polymer Electrolyte

    Science.gov (United States)

    Savinell, R. F.; Fritts, S. D.

    1988-01-01

    A mathematical model was formulated to describe the performance of a hydrogen-bromine fuel cell. Porous electrode theory was applied to the carbon felt flow-by electrode and was coupled to theory describing the solid polymer electrolyte (SPE) system. Parametric studies using the numerical solution to this model were performed to determine the effect of kinetic, mass transfer, and design parameters on the performance of the fuel cell. The results indicate that the cell performance is most sensitive to the transport properties of the SPE membrane. The model was also shown to be a useful tool for scale-up studies.

  20. Unsupervised active learning based on hierarchical graph-theoretic clustering.

    Science.gov (United States)

    Hu, Weiming; Hu, Wei; Xie, Nianhua; Maybank, Steve

    2009-10-01

    Most existing active learning approaches are supervised. Supervised active learning has the following problems: inefficiency in dealing with the semantic gap between the distribution of samples in the feature space and their labels, lack of ability in selecting new samples that belong to new categories that have not yet appeared in the training samples, and lack of adaptability to changes in the semantic interpretation of sample categories. To tackle these problems, we propose an unsupervised active learning framework based on hierarchical graph-theoretic clustering. In the framework, two promising graph-theoretic clustering algorithms, namely, dominant-set clustering and spectral clustering, are combined in a hierarchical fashion. Our framework has some advantages, such as ease of implementation, flexibility in architecture, and adaptability to changes in the labeling. Evaluations on data sets for network intrusion detection, image classification, and video classification have demonstrated that our active learning framework can effectively reduce the workload of manual classification while maintaining a high accuracy of automatic classification. It is shown that, overall, our framework outperforms the support-vector-machine-based supervised active learning, particularly in terms of dealing much more efficiently with new samples whose categories have not yet appeared in the training samples.

  1. Solids-based concentrated solar power receiver

    Science.gov (United States)

    None

    2018-04-10

    A concentrated solar power (CSP) system includes channels arranged to convey a flowing solids medium descending under gravity. The channels form a light-absorbing surface configured to absorb solar flux from a heliostat field. The channels may be independently supported, for example by suspension, and gaps between the channels are sized to accommodate thermal expansion. The light absorbing surface may be sloped so that the inside surfaces of the channels proximate to the light absorbing surface define downward-slanting channel floors, and the flowing solids medium flows along these floors. Baffles may be disposed inside the channels and oriented across the direction of descent of the flowing solids medium. The channels may include wedge-shaped walls forming the light-absorbing surface and defining multiple-reflection light paths for solar flux from the heliostat field incident on the light-absorbing surface.

  2. Theoretical concepts of fractal geometry semkow by radon emanation in solids

    International Nuclear Information System (INIS)

    Cruz G, H.

    1996-01-01

    The objective of this work is to introduce the fractal geometry concept to the study of gaseous emanations in solids, specially with reference to radon emission in mineral grains. The basic elements of fractals theory are developed. A fractal is defined as an auto similar subassembly, which fractal dimension is greater than the topological dimension. Starting from this, and making a brief description of the physicals basis of radon emission in solids, a model between emanation power (E R ) and the ratio s/v (surface to volume), is founded. A Gaussian model is assumed for extent of recoil from alpha decay of Ra-226. Using the results of Pfeifer it is obtained that distribution of pore size is scaled like Br -D-1 , where D: fractal[dimension, B: constant and r: pore radius. After an adequate mathematics expansion, it is found that the expression for emanation power is scaled like r 0 D-3 (r 0 grain radius). We may concluded that if we have a logarithmic graph of E R vs size of grain we can deduce the fractal dimension of the emanation surface. The experimental data of different materials provides an interval into fractal dimension D , between 2.1 to 2.86. (author). 5 refs., 1 tab

  3. FT-Raman and FTIR spectra of photoactive aminobenzazole derivatives in the solid state: A combined experimental and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Alves, Rodrigo Martins [Universidade Federal do Pampa, Campus Bagé, Grupo de Pesquisa em Espectroscopia de Materiais Fotônicos, 96400-970 Bagé, RS (Brazil); Rodembusch, Fabiano Severo [Universidade Federal do Rio Grande do Sul, Grupo de Pesquisa em Fotoquímica Orgânica Aplicada, Av. Bento Gonçalves 9500, CEP 91501-970 Porto Alegre, RS (Brazil); Habis, Charles [Northern Virginia Community College, Manassas, VA (United States); Moreira, Eduardo Ceretta, E-mail: eduardomoreira@unipampa.edu.br [Universidade Federal do Pampa, Campus Bagé, Grupo de Pesquisa em Espectroscopia de Materiais Fotônicos, 96400-970 Bagé, RS (Brazil)

    2014-12-15

    This study reports the experimental investigation of two photoactive aminobenzazole derivatives in the solid state by FT-Raman and Infrared Spectroscopies (FTIR) and its comparison with theoretical models. The optimized molecular structure, vibrational frequencies, and corresponding vibrational assignments of these compounds have been investigated experimentally and theoretically using Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA) and Gaussian03 Software Package. The FT-Raman and FTIR spectra were acquired with high resolution and emission frequencies identified by simulating the vibrational modes. The most intense peak observed in the FT-Raman spectra is the in-plane deformation vibrational of O–H bond that could be related to the vibrational region responsible for the stabilization of the enol conformer in the ground state which undergoes ESIPT to form a keto tautomer in the excited state. Additionally, the position of the amino group played an important role on the vibrational characteristics of the studied compounds. Also, the simulations proved to be a good approach in undertaking the FTIR and FT-Raman experiments. The use of graphic correlations helps us to determine the method and basis that best fit the experimental results. - Highlights: • Structural and vibrational properties of two aminobenzazoles were reported. • Comparison between experimental techniques and theoretical models. • The position of the amino group played an important role on the vibrational characteristics of the studied compounds.

  4. Reference Electrodes Based on Solid Amalgams

    Czech Academy of Sciences Publication Activity Database

    Josypčuk, Bohdan; Novotný, Ladislav

    2004-01-01

    Roč. 16, č. 3 (2004), s. 238-241 ISSN 1040-0397 Grant - others:GIT(AR) 101/02/U111/CZ Institutional research plan: CEZ:AV0Z4040901 Keywords : solid amalgam * reference electrode * voltammetry Subject RIV: CG - Electrochemistry Impact factor: 2.038, year: 2004

  5. Ceramic membrane fuel cells based on solid proton electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Guangyao; Ma, Qianli; Peng, Ranran; Liu, Xingqin [USTC Lab. for Solid State Chemistry and Inorganic Membranes, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Ma, Guilin [School of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215123 (China)

    2007-04-15

    The development of solid oxide fuel cells (SOFCs) has reached its new stage characterized with thin electrolytes on porous electrode support, and the most important fabrication techniques developed in which almost all are concerned with inorganic membranes, and so can be named as ceramic membrane fuel cells (CMFCs). CMFCs based on proton electrolytes (CMFC-H) may exhibit more advantages than CMFCs based on oxygen-ion electrolytes (CMFC-O) in many respects, such as energy efficiency and avoiding carbon deposit. Ammonia fuelled CMFC with proton-conducting BaCe{sub 0.8}Gd{sub 0.2}O{sub 2.9} (BCGO) electrolyte (50 {mu}m in thickness) is reported in this works, which showed the open current voltage (OCV) values close to theoretical ones and rather high power density. And also, we have found that the well known super oxide ion conductor, La{sub 0.9}Sr{sub 0.1}Ga{sub 0.8}Mg{sub 0.2}O{sub 3-{alpha}} (LSGM), is a pure proton conductor in H{sub 2} and mixed proton and oxide ion conductor in wet air, while it is a pure oxide ion conductor in oxygen or dry air. To demonstrate the CMFC-H concept to get high performance fuel cells the techniques for thin membranes, chemical vapor deposition (CVD), particularly novel CVD techniques, should be given more attention because of their many advantages. (author)

  6. Experimental and theoretical study of heavy ion slowing down in solid targets

    International Nuclear Information System (INIS)

    Mehana, A.

    1993-06-01

    Heavy ion energy losses in C, Al, Cu, Ag, Ta and Au solid targets have been measured at high energy (0.2 to 5 MeV/u), using the backward secondary ion technique, and at low energy (0.1 to 0.25 MeV/u) for the C, N and O ions, using the particle backscatter method. A brief review of the various matter-induced charged particle slowing down theories, and especially the Lindhard dielectric theory, is first presented. Then, the various models for the evaluation of the effective charge and of the high order correction, are discussed and compared. Experimental techniques and data processing methods are described, and the experimental results are compared to calculations derived from the dielectric theory. In particular, the effective charges and the high order corrections (Barkas-Bloch) are examined and compared to the models for the determination of the z 3 and z 4 terms for heavy ions

  7. A solid state actuator based on polypyrrole (PPy) and a solid electrolyte NBR working in air

    Science.gov (United States)

    Cho, Misuk; Nam, Jaedo; Choi, Hyouk Ryeol; Koo, Jachoon; Lee, Youngkwan

    2005-05-01

    The solid polymer electrolyte based conducting polymer actuator was presented. In the preparation of acutuator module, an ionic liquid impregnated a synthetic rubber (NBR) and PPy were used as a solid polymer electrolyte and conducting polymer, respectively. An ionic liquid, 1-butyl-3-methylimidazolium bis (trifluoromethyl sulfonyl)imide (BMITFSI) is gradually dispersed into the NBR film and the conducting polymer, PPy was synthesized on the surface of NBR. The ionic conductivity of new type solid polymer electrolyte as a function of the immersion time was investigated. The cyclic voltammetry responsed and the redox switching dynamics of PEDOT in NBR matrix were studied. The displacement of the actuator was measured by laser beam.

  8. Theoretical multi-physics approaches to solid-solution strengthening of Al

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Duancheng; Friak, Martin; Raabe, Dierk; Neugebauer, Joerg [Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf (Germany)

    2009-07-01

    The strengthening of soft metallic materials has a long tradition and is an important metallurgical topic since the time when ancient smiths forged the first swords. Intense materials research revealed a combination of three mechanisms as decisive for solid-solution strengthening phenomena: (i) the size mismatch of components (Mott and Nabarro's parelastic concept), (ii) the elastic modulus mismatch of atoms (Fleischer's dielastic contribution), and (iii) the concentration of solutes (statistical concept of Friedel and Labusch). Combining density functional theory calculations and linear-elasticity theory, the key parameters that are essential for the classical strengthening theories are determined in order to test them and identify their possible validity limits. The strengthening of fcc aluminium is chosen as an example and a series of binary systems Al-X (with X=Ca,Sr,Ir,Li,Mg,Cu) was considered. Comparing our results with those obtained by applying classical theories we find clear deviations. These deviations originate from non-classical lattice distortions due to the size mismatch of solute atoms in their first coordination shells.

  9. Experimental and theoretical burnup investigations on model arrangements with solid burnable poisons

    International Nuclear Information System (INIS)

    Ahlf, J.; Anders, D.; Greim, L.; Knoth, J.; Kolb, M.; Mittelstaedt, B.; Mueller, A.; Schwenke, H.

    1975-01-01

    It is the scope of the two experiments here to improve the methods for computation and measurement as well as the experimental technique appropriate to predict the burnable poison rod burn-up with sufficient accuracy. In the first experiment two nine-rod bundles in a 3 x 3 arrangement are irradiated during several irradiation periods in the research reactor Geesthacht. Each bundle consists of eight outer rods containing fuel and one inner rod containing poison (B 10 or Cd 113). The burn-up of the fuel and the burnable poison is measured by non-destructive methods after each irradiation period and then compared with results of a burn-up calculation. In the second experiment two poison rods with different cadmium concentrations and one rod containing boron are irradiated during several irradiation periods in the research reactor Geesthacht. The burn-up is determined after each irradiation period by reactivity measurements and its result compared to computed effective absorption cross-sections of the rods by aid of a calibration curve. For both experiments the experimental and theoretical results for the poison burn-up are found to be within the error limits of the measurements. (orig.) [de

  10. Experimental and theoretical investigations on solid burnable poison burnup of model arrangements

    International Nuclear Information System (INIS)

    Ahlf, J.; Anders, D.; Greim, L.; Knoth, J.; Kolb, M.; Mittelstaedt, B.; Mueller, A.; Schwenke, H.

    1975-01-01

    It is the scope of the two experiments reported here to improve the methods for computation and measurement as well as the experimental technique appropriate to predict the burnable poison rod burn-up with sufficient accuracy. In the first experiment two nine-rod bundles in a 3 x 3 arrangement are irradiated during several irradiation periods in the research reactor Geesthacht. Each bundle consists of eight outer rods containing fuel and one inner rod containing poison (B 10 or Cd 113). The burn-up of the fuel and the burnable poison is measured by non-destructive methods after each irradiation period and then compared with results of a burn-up calculation. In the second experiment two poison rods with different cadmium concentrations and one rod containing boron are irradiated during several irradiation periods in the research reactor Geesthacht. The burn-up is determined after each irradiation period by reactivity measurements and its result compared to computed effective absorption cross-sections of the rods by aid of a calibration curve. For both experiments the experimental and theoretical results for the poison burn-up are found to be within the error limits of the measurements. (orig.) [de

  11. Experimental and theoretical study on Raman spectra of magnesium fluoride clusters and solids.

    Science.gov (United States)

    Neelamraju, S; Bach, A; Schön, J C; Fischer, D; Jansen, M

    2012-11-21

    In this study, the Raman and IR spectra of a large number of isomers of MgF(2) clusters and of possible bulk polymorphs of MgF(2) are calculated and compared with experimental data observed using a low-temperature atom beam deposition. The bulk polymorphs were taken from earlier work, while the cluster modifications for the neutral (MgF(2))(n) (n = 1-10) clusters and charged clusters (up to the trimer anion and cation, (Mg(3)F(7))(-) and (Mg(3)F(5))(+), respectively) are determined in the present work by global energy landscape explorations using simulated annealing. These theoretical calculations are complemented by an experimental study on both the vapor phase and the deposited films of MgF(2), which are generated in a low-temperature atom beam deposition setup for the synthesis of MgF(2) bulk phases. The MgF(2) vapor and film are characterized via Raman spectroscopy of the MgF(2) gas phase species embedded in an Ar-matrix and of the MgF(2)-films deposited onto a cooled substrate, respectively. We find that, in the vapor phase, there are monomers and dimers and charged species to be present in our experimental setup. Furthermore, the results suggest that in the amorphous bulk MgF(2), rutile-like domains are present and MgF(2) clusters similar to those in the matrix. Finally, peaks at about 800 cm(-1), which are in the same range as the A(g) modes of clusters with dangling fluorine atoms connected to three-coordinated Mg atoms, indicate that such dangling bonds are also present in amorphous MgF(2).

  12. Theoretical analysis of the axial growth of nanowires starting with a binary eutectic droplet via vapor-liquid-solid mechanism

    Science.gov (United States)

    Liu, Qing; Li, Hejun; Zhang, Yulei; Zhao, Zhigang

    2018-06-01

    A series of theoretical analysis is carried out for the axial vapor-liquid-solid (VLS) growth of nanowires starting with a binary eutectic droplet. The growth model considering the entire process of axial VLS growth is a development of the approaches already developed by previous studies. In this model, the steady and unsteady state growth are considered both. The amount of solute species in a variable liquid droplet, the nanowire length, radius, growth rate and all other parameters during the entire axial growth process are treated as functions of growth time. The model provides theoretical predictions for the formation of nanowire shape, the length-radius and growth rate-radius dependences. It is also suggested by the model that the initial growth of single nanowire is significantly affected by Gibbs-Thompson effect due to the shape change. The model was applied on predictions of available experimental data of Si and Ge nanowires grown from Au-Si and Au-Ge systems respectively reported by other works. The calculations with the proposed model are in satisfactory agreement with the experimental results of the previous works.

  13. Strengthening Theoretical Testing in Criminology Using Agent-based Modeling.

    Science.gov (United States)

    Johnson, Shane D; Groff, Elizabeth R

    2014-07-01

    The Journal of Research in Crime and Delinquency ( JRCD ) has published important contributions to both criminological theory and associated empirical tests. In this article, we consider some of the challenges associated with traditional approaches to social science research, and discuss a complementary approach that is gaining popularity-agent-based computational modeling-that may offer new opportunities to strengthen theories of crime and develop insights into phenomena of interest. Two literature reviews are completed. The aim of the first is to identify those articles published in JRCD that have been the most influential and to classify the theoretical perspectives taken. The second is intended to identify those studies that have used an agent-based model (ABM) to examine criminological theories and to identify which theories have been explored. Ecological theories of crime pattern formation have received the most attention from researchers using ABMs, but many other criminological theories are amenable to testing using such methods. Traditional methods of theory development and testing suffer from a number of potential issues that a more systematic use of ABMs-not without its own issues-may help to overcome. ABMs should become another method in the criminologists toolbox to aid theory testing and falsification.

  14. Electrical conduction in solid materials physicochemical bases and possible applications

    CERN Document Server

    Suchet, J P

    2013-01-01

    Electrical Conduction in Solid Materials (Physicochemical Bases and Possible Applications) investigates the physicochemical bases and possible applications of electrical conduction in solid materials, with emphasis on conductors, semiconductors, and insulators. Topics range from the interatomic bonds of conductors to the effective atomic charge in conventional semiconductors and magnetic transitions in switching semiconductors. Comprised of 10 chapters, this volume begins with a description of electrical conduction in conductors and semiconductors, metals and alloys, as well as interatomic bon

  15. Theoretical and experimental study on solid chemical reaction between BaCO3 and TiO2 in microwave field

    International Nuclear Information System (INIS)

    Liu Hanxing; Guo, Liling; Zou Long; Cao Minhe; Zhou Jian; Ouyang Shixi

    2004-01-01

    Solid-state chemical reaction mechanism for the reaction between BaCO 3 and TiO 2 in microwave field was investigated based on X-ray power diffraction (XRD) data and theory of diffusion. The compositions of the resultant after reaction under different conditions were studied by employing XRD. The quantitative analyses based on XRD data showed the reaction in microwave field was quite different from that in the conventional method. A model was proposed to explain the change of the ratio between the reactant BaCO 3 , TiO 2 and the resultant BaTiO 3 for the chemical reaction. The formation kinetic of BaTiO 3 from the BaCO 3 and TiO 2 was calculated by employing this theoretical model. The reaction rate between BaCO 3 and TiO 2 in microwave field was much higher than that in conventional method. The activation energy of the atomic diffusions in this solid chemical reaction is only 58 kJ/mol, which was only about 1/4 of 232 kJ/mol in the conventional value. The result suggests that the microwave field enhance atomic diffusion during the reaction

  16. Theoretical Investigation of Bismuth-Based Semiconductors for Photocatalytic Applications

    KAUST Repository

    Lardhi, Sheikha F.

    2017-01-01

    OS compositions. Starting from the thermodynamic stability of the solid solution, several properties were computed for each system including bandgaps, dielectric constants, effective masses and exciton binding energies. Several compositions with specific

  17. THEORETICAL BASES OF DIVERSIFICATION OF PENITENTIARY EDUCATIONAL SYSTEM

    Directory of Open Access Journals (Sweden)

    Нэилэ Каюмовна Щепкина

    2013-08-01

    Full Text Available The article deals with the main results of scientific research devoted to the question of theoretical bases of diversification of penitentiary educational system in institutions of confinement.The urgency of scientific research reveals through the social importance of convicts’ education.The article draws attention to the fact that the problem of diversification of penitentiary educational system hasn’t been considered in pedagogy yet.  It also identifies the main contradictions, tasks and methods of scientific research.Retrospective analysis of criminal system inRussiahelps to define the existing tendencies of convicts’ education, unsolved problems in this field of science and formulate perspective ideas to modernize the penitentiary educational system.The item tells about the main point of diversification of penitentiary educational system and presents it in a model. It gives detailed analysis of model’s components and depicts some practical ways of its embodiment in institutions of confinement. Moreover the article describes the determinants of diversification of penitentiary educational system which are seemed to be the factors and conditions of its effective development.DOI: http://dx.doi.org/10.12731/2218-7405-2013-6-20

  18. Organizing the public health-clinical health interface: theoretical bases.

    Science.gov (United States)

    St-Pierre, Michèle; Reinharz, Daniel; Gauthier, Jacques-Bernard

    2006-01-01

    This article addresses the issue of the interface between public health and clinical health within the context of the search for networking approaches geared to a more integrated delivery of health services. The articulation of an operative interface is complicated by the fact that the definition of networking modalities involves complex intra- and interdisciplinary and intra- and interorganizational systems across which a new transversal dynamics of intervention practices and exchanges between service structures must be established. A better understanding of the situation is reached by shedding light on the rationale underlying the organizational methods that form the bases of the interface between these two sectors of activity. The Quebec experience demonstrates that neither the structural-functionalist approach, which emphasizes remodelling establishment structures and functions as determinants of integration, nor the structural-constructivist approach, which prioritizes distinct fields of practice in public health and clinical health, adequately serves the purpose of networking and integration. Consequently, a theoretical reframing is imperative. In this regard, structuration theory, which fosters the simultaneous study of methods of inter-structure coordination and inter-actor cooperation, paves the way for a better understanding of the situation and, in turn, to the emergence of new integration possibilities.

  19. Theoretical bases of individualization of training in wrestling

    Directory of Open Access Journals (Sweden)

    S.V. Latyshev

    2013-04-01

    Full Text Available Theoretical bases of individualization of training in wrestling are developed. They include the structure of organization of research, positions of conception, system of individualization of training. The system of individualization of training is designed as an aggregate of elements and subsystems, which guided mutually assist an exposure, forming, development and perfection of own style of opposing. It is marked that in the system of training activity substantially more attention is spared development of the special endurance and attended directed qualities. In the system of after training and after a competition activity an accent was displaced toward the search of facilities of more effective renewal and stimulation of the special capacity, search of new optimum rations of feed and new food additions, search of new methods of decline of weight of fighters. Tactic of conduct of duels changed in the system of competition activity, which foresees yet more rational and economy expense of energy in a fight and in a competition on the whole.

  20. Kinetics of aging of metastable, zirconium-dioxide-based solid electrolytes

    International Nuclear Information System (INIS)

    Vlasov, A.N.; Inozemtsev, M.V.

    1985-01-01

    The kinetics of aging of zirconium-dioxide-based metastable solid oxide electrolytes stabilized with 8 to 10 mole % of yttrium, holmium, or scandium oxide were studied over the temperature range from 1200 to 1373 0 K. Kinetic equations were proposed which describe the conduction behavior of two-phase solid electrolytes in a wide time range. The processes were found to occur independently at the initial stage of aging in the cubic solution, viz., an increase in the number of nuclei of the new phase, and a growth in volume of nuclei of the new phase. After a long time the former process ceases, and the kinetics of aging of the electrolyte only are determined by the kinetics of volume growth of the inclusions of new phase. The time-dependent behavior of two-phase solid solutions is discussed theoretically and examined experimentally

  1. Carbon-based strong solid acid for cornstarch hydrolysis

    International Nuclear Information System (INIS)

    Nata, Iryanti Fatyasari; Irawan, Chairul; Mardina, Primata; Lee, Cheng-Kang

    2015-01-01

    Highly sulfonated carbonaceous spheres with diameter of 100–500 nm can be generated by hydrothermal carbonization of glucose in the presence of hydroxyethylsulfonic acid and acrylic acid at 180 °C for 4 h. The acidity of the prepared carbonaceous sphere C4-SO 3 H can reach 2.10 mmol/g. It was used as a solid acid catalyst for the hydrolysis of cornstarch. Total reducing sugar (TRS) concentration of 19.91 mg/mL could be obtained by hydrolyzing 20 mg/mL cornstarch at 150 °C for 6 h using C4-SO 3 H as solid acid catalyst. The solid acid catalyst demonstrated good stability that only 9% decrease in TRS concentration was observed after five repeat uses. The as-prepared carbon-based solid acid catalyst can be an environmentally benign replacement for homogeneous catalyst. - Highlights: • Carbon solid acid was successfully prepared by one-step hydrothermal carbonization. • The acrylic acid as monomer was effectively reduce the diameter size of particle. • The solid acid catalyst show good catalytic performance of starch hydrolysis. • The solid acid catalyst is not significantly deteriorated after repeated use

  2. Carbon-based strong solid acid for cornstarch hydrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Nata, Iryanti Fatyasari, E-mail: yanti_tkunlam@yahoo.com [Chemical Engineering Study Program, Faculty of Engineering, Lambung Mangkurat University, Jl. A. Yani Km. 36 Banjarbaru, South Kalimantan 70714 (Indonesia); Irawan, Chairul; Mardina, Primata [Chemical Engineering Study Program, Faculty of Engineering, Lambung Mangkurat University, Jl. A. Yani Km. 36 Banjarbaru, South Kalimantan 70714 (Indonesia); Lee, Cheng-Kang, E-mail: cklee@mail.ntust.edu.tw [Department of Chemical Engineering, National Taiwan University of Science and Technology, 43 Keelung Rd. Sec.4, Taipei 106, Taiwan (China)

    2015-10-15

    Highly sulfonated carbonaceous spheres with diameter of 100–500 nm can be generated by hydrothermal carbonization of glucose in the presence of hydroxyethylsulfonic acid and acrylic acid at 180 °C for 4 h. The acidity of the prepared carbonaceous sphere C4-SO{sub 3}H can reach 2.10 mmol/g. It was used as a solid acid catalyst for the hydrolysis of cornstarch. Total reducing sugar (TRS) concentration of 19.91 mg/mL could be obtained by hydrolyzing 20 mg/mL cornstarch at 150 °C for 6 h using C4-SO{sub 3}H as solid acid catalyst. The solid acid catalyst demonstrated good stability that only 9% decrease in TRS concentration was observed after five repeat uses. The as-prepared carbon-based solid acid catalyst can be an environmentally benign replacement for homogeneous catalyst. - Highlights: • Carbon solid acid was successfully prepared by one-step hydrothermal carbonization. • The acrylic acid as monomer was effectively reduce the diameter size of particle. • The solid acid catalyst show good catalytic performance of starch hydrolysis. • The solid acid catalyst is not significantly deteriorated after repeated use.

  3. Series-, Parallel-, and Inter-Connection of Solid-State Arbitrary Fractional-Order Capacitors: Theoretical Study and Experimental Verification

    KAUST Repository

    Kartci, Aslihan

    2018-02-26

    In the paper, general analytical formulas are introduced for the determination of equivalent impedance, magnitude, and phase, i.e. order, for n arbitrary fractional-order capacitors (FoCs) connected in series, parallel, and their interconnection. The approach presented helps to evaluate these relevant quantities in the fractional domain since the order of each element has a significant effect on the impedance of each FoC and their equivalent capacitance cannot be considered. Three types of solid-state fractional-order passive capacitors of different orders, using ferroelectric polymer and reduced Graphene Oxide-percolated P(VDF-TrFE-CFE) composite structures, are fabricated and characterized. Using an impedance analyzer, the behavior of the devices was found to be stable in the frequency range 0.2MHz–20MHz, with a phase angle deviation of ±4 degrees. Multiple numerical and experimental case studies are given, in particular for two and three connected FoCs. The fundamental issues of the measurement units of the FoCs connected in series and parallel are derived. A MATLAB open access source code is given in Appendix sec:append for easy calculation of the equivalent FoC magnitude and phase. The experimental results are in good agreement with the theoretical assumptions.

  4. Carbon-based strong solid acid for cornstarch hydrolysis

    Science.gov (United States)

    Nata, Iryanti Fatyasari; Irawan, Chairul; Mardina, Primata; Lee, Cheng-Kang

    2015-10-01

    Highly sulfonated carbonaceous spheres with diameter of 100-500 nm can be generated by hydrothermal carbonization of glucose in the presence of hydroxyethylsulfonic acid and acrylic acid at 180 °C for 4 h. The acidity of the prepared carbonaceous sphere C4-SO3H can reach 2.10 mmol/g. It was used as a solid acid catalyst for the hydrolysis of cornstarch. Total reducing sugar (TRS) concentration of 19.91 mg/mL could be obtained by hydrolyzing 20 mg/mL cornstarch at 150 °C for 6 h using C4-SO3H as solid acid catalyst. The solid acid catalyst demonstrated good stability that only 9% decrease in TRS concentration was observed after five repeat uses. The as-prepared carbon-based solid acid catalyst can be an environmentally benign replacement for homogeneous catalyst.

  5. Application progress of solid 29Si, 27Al NMR in the research of cement-based materials

    International Nuclear Information System (INIS)

    Feng Chunhua; Wang Xijian; Li Dongxu

    2014-01-01

    Background: The solid-state Nuclear Magnetic Resonance (NMR) is an effective method for the research of cement-based materials. Now it focuses on using solid 29 Si and 27 Al NMR to research the hydration structure of the cement-based materials in cement chemistry. Purpose: A theoretical guidance is proposed for solid 29 Si and 27 Al NMR technology used in cement chemistry research. Methods: We reviewed the application of solid 29 Si and 27 Al NMR in the cement-based materials and analyzed the problem among the researches. Results: This paper introduced an fundamental, relevant-conditions and basic parameters of NMR, and studied the technical parameters of solid 29 Si and 27 Ai NMR together with the relationship among the hydration structure of cement based material. Moreover, this paper reviewed the related domestic and overseas achievements in the research of hydration structure of the cement-based materials using solid 29 Si and 27 Al NMR. Conclusion: There were some problems in the research on cement-based materials by technology of solid 29 Si and 27 Al NMR. NMR will promote the Hydration theory of cement-based material greatly. (authors)

  6. Rocket Solid Propellant Alternative Based on Ammonium Dinitramide

    Directory of Open Access Journals (Sweden)

    Grigore CICAN

    2017-03-01

    Full Text Available Due to the continuous run for a green environment the current article proposes a new type of solid propellant based on the fairly new synthesized oxidizer, ammonium dinitramide (ADN. Apart of having a higher specific impulse than the worldwide renowned oxidizer, ammonium perchlorate, ADN has the advantage, of leaving behind only nitrogen, oxygen and water after decomposing at high temperatures and therefore totally avoiding the formation of hydrogen chloride fumes. Based on the oxidizer to fuel ratios of the current formulations of the major rocket solid booster (e.g. Space Shuttle’s SRB, Ariane 5’s SRB which comprises mass variations of ammonium perchlorate oxidizer (70-75%, atomized aluminum powder (10-18% and polybutadiene binder (12-20% a new solid propellant was formulated. As previously stated, the new propellant formula and its variations use ADN as oxidizer and erythritol tetranitrate as fuel, keeping the same polybutadiene as binder.

  7. Electricity and combined heat and power from municipal solid waste; theoretically optimal investment decision time and emissions trading implications.

    Science.gov (United States)

    Tolis, Athanasios; Rentizelas, Athanasios; Aravossis, Konstantin; Tatsiopoulos, Ilias

    2010-11-01

    Waste management has become a great social concern for modern societies. Landfill emissions have been identified among the major contributors of global warming and climate changes with significant impact in national economies. The energy industry constitutes an additional greenhouse gas emitter, while at the same time it is characterized by significant costs and uncertain fuel prices. The above implications have triggered different policies and measures worldwide to address the management of municipal solid wastes on the one hand and the impacts from energy production on the other. Emerging methods of energy recovery from waste may address both concerns simultaneously. In this work a comparative study of co-generation investments based on municipal solid waste is presented, focusing on the evolution of their economical performance over time. A real-options algorithm has been adopted investigating different options of energy recovery from waste: incineration, gasification and landfill biogas exploitation. The financial contributors are identified and the impact of greenhouse gas trading is analysed in terms of financial yields, considering landfilling as the baseline scenario. The results indicate an advantage of combined heat and power over solely electricity production. Gasification, has failed in some European installations. Incineration on the other hand, proves to be more attractive than the competing alternatives, mainly due to its higher power production efficiency, lower investment costs and lower emission rates. Although these characteristics may not drastically change over time, either immediate or irreversible investment decisions might be reconsidered under the current selling prices of heat, power and CO(2) allowances.

  8. PROCESS-BASED LEARNING: TOWARDS THEORETICAL AND LECTURE-BASED COURSEWORK IN STUDIO STYLE

    Directory of Open Access Journals (Sweden)

    Hatem Ezzat Nabih

    2010-07-01

    Full Text Available This article presents a process-based learning approach to design education where theoretical coursework is taught in studio-style. Lecture-based coursework is sometimes regarded as lacking in challenge and broadening the gap between theory and practice. Furthermore, lecture-based curricula tend to be detached from the studio and deny students from applying their theoretically gained knowledge. Following the belief that student motivation is increased by establishing a higher level of autonomy in the learning process, I argue for a design education that links theory with applied design work within the studio setting. By synthesizing principles of Constructivist Learning and Problem-Based Learning, PBL students are given greater autonomy by being actively involved in their education. Accordingly, I argue for a studio setting that incorporates learning in studio style by presenting three design applications involving students in investigation and experimentation in order to self-experience the design process.

  9. Theoretical comparison between solar combisystems based on bikini tanks and tank-in-tank solar combisystems

    DEFF Research Database (Denmark)

    Yazdanshenas, Eshagh; Furbo, Simon; Bales, Chris

    2008-01-01

    Theoretical investigations have shown that solar combisystems based on bikini tanks for low energy houses perform better than solar domestic hot water systems based on mantle tanks. Tank-in-tank solar combisystems are also attractive from a thermal performance point of view. In this paper......, theoretical comparisons between solar combisystems based on bikini tanks and tank-in-tank solar combisystems are presented....

  10. Environmentally Benign Bifunctional Solid Acid and Base Catalysts

    NARCIS (Netherlands)

    Elmekawy, A.; Shiju, N.R.; Rothenberg, G.; Brown, D.R.

    2014-01-01

    Solid bifunctional acid-​base catalysts were prepd. in two ways on an amorphous silica support: (1) by grafting mercaptopropyl units (followed by oxidn. to propylsulfonic acid) and aminopropyl groups to the silica surface (NH2-​SiO2-​SO3H)​, and (2) by grafting only aminopropyl groups and then

  11. Community-Based Solid Waste Management: A Training Facilitator's Guide.

    Science.gov (United States)

    Peace Corps, Washington, DC. Information Collection and Exchange Div.

    Urban environmental management and environmental health issues are of increasing concern worldwide. The need for urban environmental management work at the local level where the Peace Corps works most effectively is significant, but training materials dedicated specifically to community-based solid waste management work in urban areas are lacking.…

  12. Modified calcium oxide as stable solid base catalyst for Aldol

    Indian Academy of Sciences (India)

    A highly efficient and stable solid-base catalyst for Aldol condensation was prepared by modifying commercial CaO with benzyl bromide in a simple way. It was found that modified CaO can effectively catalyse the Aldol condensation of cyclohexanone and benzaldehyde, as well as various benzaldehydes, to produce ...

  13. Modified calcium oxide as stable solid base catalyst for Aldol ...

    Indian Academy of Sciences (India)

    A highly efficient and stable solid-base catalyst for Aldol condensation was ... was bonded on surface of CaO chemically and almost no Ca(OH)2 formed during the modification process. ... cation, corrosion and waste generation attract great.

  14. Theoretical Investigations of Plasma-Based Accelerators and Other Advanced Accelerator Concepts

    International Nuclear Information System (INIS)

    Shuets, G.

    2004-01-01

    Theoretical investigations of plasma-based accelerators and other advanced accelerator concepts. The focus of the work was on the development of plasma based and structure based accelerating concepts, including laser-plasma, plasma channel, and microwave driven plasma accelerators

  15. Theoretical and methodological bases of the cooperation and the cooperative

    Directory of Open Access Journals (Sweden)

    Claudio Alberto Rivera Rodríguez

    2013-12-01

    Full Text Available The present work has the purpose to approach the theoretical and methodological foundations of the rise of the cooperatives. In this article are studied the logical antecedents of the cooperativism, the premises  establish by  the Industrial Revolution for the emergence of the first modern cooperative “The Pioneers of Rochdale”  that  is  the inflection point of  cooperativism, until analyzing the contributions of the whole thinking  of the time that maintain this process.

  16. Density functional and theoretical study of the temperature and pressure dependency of the plasmon energy of solids

    International Nuclear Information System (INIS)

    Attarian Shandiz, M.; Gauvin, R.

    2014-01-01

    The temperature and pressure dependency of the volume plasmon energy of solids was investigated by density functional theory calculations. The volume change of crystal is the major factor responsible for the variation of valence electron density and plasmon energy in the free electron model. Hence, to introduce the effect of temperature and pressure for the density functional theory calculations of plasmon energy, the temperature and pressure dependency of lattice parameter was used. Also, by combination of the free electron model and the equation of state based on the pseudo-spinodal approach, the temperature and pressure dependency of the plasmon energy was modeled. The suggested model is in good agreement with the results of density functional theory calculations and available experimental data for elements with the free electron behavior.

  17. Investigation of samarium solubility in the magnesium based solid solution

    International Nuclear Information System (INIS)

    Rokhlin, L.L.; Padezhnova, E.M.; Guzej, L.S.

    1976-01-01

    Electric resistance measurements and microscopic analysis were used to investigate the solubility of samarium in a magnesium-based solid solution. The constitutional diagram Mg-Sm on the magnesium side is of an eutectic type with the temperature of the eutectic transformation of 542 deg C. Samarium is partly soluble in solid magnesium, the less so, the lower is the temperature. The maximum solubility of samarium in magnesium (at the eutectic transformation point) is 5.8 % by mass (0.99 at. %). At 200 deg C, the solubility of samarium in magnesium is 0.4 % by mass (0.063 at. %)

  18. Theoretical analysis of noncanonical base pairing interactions in ...

    Indian Academy of Sciences (India)

    PRAKASH KUMAR

    Noncanonical base pairs in RNA have strong structural and functional implications but are currently not considered ..... Full optimizations of the systems were also carried out using ... of the individual bases in the base pair through the equation.

  19. Surface phase transitions in cu-based solid solutions

    Science.gov (United States)

    Zhevnenko, S. N.; Chernyshikhin, S. V.

    2017-11-01

    We have measured surface energy in two-component Cu-based systems in H2 + Ar gas atmosphere. The experiments on solid Cu [Ag] and Cu [Co] solutions show presence of phase transitions on the surfaces. Isotherms of the surface energy have singularities (the minimum in the case of copper solid solutions with silver and the maximum in the case of solid solutions with cobalt). In both cases, the surface phase transitions cause deficiency of surface miscibility: formation of a monolayer (multilayer) (Cu-Ag) or of nanoscale particles (Cu-Co). At the same time, according to the volume phase diagrams, the concentration and temperature of the surface phase transitions correspond to the solid solution within the volume. The method permits determining the rate of diffusional creep in addition to the surface energy. The temperature and concentration dependence of the solid solutions' viscosity coefficient supports the fact of the surface phase transitions and provides insights into the diffusion properties of the transforming surfaces.

  20. Theoretic base of Edge Local Mode triggering by vertical displacements

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Z. T. [Southwestern Institute of Physics, Chengdu 610041 (China); College of Physics Science and Technology, Sichuan University, Chengdu 610065 (China); He, Z. X.; Wang, Z. H. [Southwestern Institute of Physics, Chengdu 610041 (China); Wu, N.; Tang, C. J. [College of Physics Science and Technology, Sichuan University, Chengdu 610065 (China)

    2015-05-15

    Vertical instability is studied with R-dependent displacement. For Solovev's configuration, the stability boundary of the vertical instability is calculated. The pressure gradient is a destabilizing factor which is contrary to Rebhan's result. Equilibrium parallel current density, j{sub //}, at plasma boundary is a drive of the vertical instability similar to Peeling-ballooning modes; however, the vertical instability cannot be stabilized by the magnetic shear which tends towards infinity near the separatrix. The induced current observed in the Edge Local Mode (ELM) triggering experiment by vertical modulation is derived. The theory provides some theoretic explanation for the mitigation of type-I ELMS on ASDEX Upgrade. The principle could be also used for ITER.

  1. Optimization of Investment Planning Based on Game-Theoretic Approach

    Directory of Open Access Journals (Sweden)

    Elena Vladimirovna Butsenko

    2018-03-01

    Full Text Available The game-theoretic approach has a vast potential in solving economic problems. On the other hand, the theory of games itself can be enriched by the studies of real problems of decision-making. Hence, this study is aimed at developing and testing the game-theoretic technique to optimize the management of investment planning. This technique enables to forecast the results and manage the processes of investment planning. The proposed method of optimizing the management of investment planning allows to choose the best development strategy of an enterprise. This technique uses the “game with nature” model, and the Wald criterion, the maximum criterion and the Hurwitz criterion as criteria. The article presents a new algorithm for constructing the proposed econometric method to optimize investment project management. This algorithm combines the methods of matrix games. Furthermore, I show the implementation of this technique in a block diagram. The algorithm includes the formation of initial data, the elements of the payment matrix, as well as the definition of maximin, maximal, compromise and optimal management strategies. The methodology is tested on the example of the passenger transportation enterprise of the Sverdlovsk Railway in Ekaterinburg. The application of the proposed methodology and the corresponding algorithm allowed to obtain an optimal price strategy for transporting passengers for one direction of traffic. This price strategy contributes to an increase in the company’s income with minimal risk from the launch of this direction. The obtained results and conclusions show the effectiveness of using the developed methodology for optimizing the management of investment processes in the enterprise. The results of the research can be used as a basis for the development of an appropriate tool and applied by any economic entity in its investment activities.

  2. Value-based management: Theoretical base, shareholders' request and the concept

    Directory of Open Access Journals (Sweden)

    Kaličanin Đorđe M.

    2005-01-01

    Full Text Available The pressure of financial markets, which is a consequence of shareholder revolution, directly affects the solution to the following dilemma: is the mission of corporations to maximize shareholders' wealth or to satisfy interests of other stakeholders? The domination of shareholder theory has caused the appearance of the valuebased management concept. Value-based management is a relevant concept and a process of management in modern environment. The importance of shareholder value requires transformation of traditional enterprise into value driven enterprise. This paper addresses theoretical base, shareholder revolution and the main characteristics of value-based management.

  3. Numerical simulation of polishing U-tube based on solid-liquid two-phase

    Science.gov (United States)

    Li, Jun-ye; Meng, Wen-qing; Wu, Gui-ling; Hu, Jing-lei; Wang, Bao-zuo

    2018-03-01

    As the advanced technology to solve the ultra-precision machining of small hole structure parts and complex cavity parts, the abrasive grain flow processing technology has the characteristics of high efficiency, high quality and low cost. So this technology in many areas of precision machining has an important role. Based on the theory of solid-liquid two-phase flow coupling, a solid-liquid two-phase MIXTURE model is used to simulate the abrasive flow polishing process on the inner surface of U-tube, and the temperature, turbulent viscosity and turbulent dissipation rate in the process of abrasive flow machining of U-tube were compared and analyzed under different inlet pressure. In this paper, the influence of different inlet pressure on the surface quality of the workpiece during abrasive flow machining is studied and discussed, which provides a theoretical basis for the research of abrasive flow machining process.

  4. Effect of bulky substituents on thiopyrylium polymethine aggregation in the solid state: A theoretical evaluation of the implications for all-optical switching applications

    KAUST Repository

    Gieseking, Rebecca L.

    2014-11-25

    Polymethine dyes in dilute solutions display many of the optical properties required for all-optical switching applications. However, in thin films, aggregation and polymethine-counterion interactions can substantially modify their properties and limit their utility. Here, we examine the impact of a series of bulky substituents on the solid-state molecular packing of thiopyrylium polymethines by using a theoretical approach combining molecular-dynamics simulations and quantum-chemical calculations. Importantly, it is found that the positions of the substituents near the center and/or ends of the dye determine the extent to which aggregation is reduced; in particular, substituents near the polymethine center primarily modify the type of aggregation that is observed, while substituents near the polymethine ends reduce aggregation and aid in maintaining solution-like properties in the solid state. Our theoretical study elucidates relationships between molecular structure and bulk optical properties and provides design guidelines for all-optical switching materials.

  5. THE THEORETICAL ASTROPHYSICAL OBSERVATORY: CLOUD-BASED MOCK GALAXY CATALOGS

    Energy Technology Data Exchange (ETDEWEB)

    Bernyk, Maksym; Croton, Darren J.; Tonini, Chiara; Hodkinson, Luke; Hassan, Amr H.; Garel, Thibault; Duffy, Alan R.; Mutch, Simon J.; Poole, Gregory B.; Hegarty, Sarah [Centre for Astrophysics and Supercomputing, Swinburne University of Technology, P.O. Box 218, Hawthorn, Victoria, 3122 (Australia)

    2016-03-15

    We introduce the Theoretical Astrophysical Observatory (TAO), an online virtual laboratory that houses mock observations of galaxy survey data. Such mocks have become an integral part of the modern analysis pipeline. However, building them requires expert knowledge of galaxy modeling and simulation techniques, significant investment in software development, and access to high performance computing. These requirements make it difficult for a small research team or individual to quickly build a mock catalog suited to their needs. To address this TAO offers access to multiple cosmological simulations and semi-analytic galaxy formation models from an intuitive and clean web interface. Results can be funnelled through science modules and sent to a dedicated supercomputer for further processing and manipulation. These modules include the ability to (1) construct custom observer light cones from the simulation data cubes; (2) generate the stellar emission from star formation histories, apply dust extinction, and compute absolute and/or apparent magnitudes; and (3) produce mock images of the sky. All of TAO’s features can be accessed without any programming requirements. The modular nature of TAO opens it up for further expansion in the future.

  6. THE THEORETICAL ASTROPHYSICAL OBSERVATORY: CLOUD-BASED MOCK GALAXY CATALOGS

    International Nuclear Information System (INIS)

    Bernyk, Maksym; Croton, Darren J.; Tonini, Chiara; Hodkinson, Luke; Hassan, Amr H.; Garel, Thibault; Duffy, Alan R.; Mutch, Simon J.; Poole, Gregory B.; Hegarty, Sarah

    2016-01-01

    We introduce the Theoretical Astrophysical Observatory (TAO), an online virtual laboratory that houses mock observations of galaxy survey data. Such mocks have become an integral part of the modern analysis pipeline. However, building them requires expert knowledge of galaxy modeling and simulation techniques, significant investment in software development, and access to high performance computing. These requirements make it difficult for a small research team or individual to quickly build a mock catalog suited to their needs. To address this TAO offers access to multiple cosmological simulations and semi-analytic galaxy formation models from an intuitive and clean web interface. Results can be funnelled through science modules and sent to a dedicated supercomputer for further processing and manipulation. These modules include the ability to (1) construct custom observer light cones from the simulation data cubes; (2) generate the stellar emission from star formation histories, apply dust extinction, and compute absolute and/or apparent magnitudes; and (3) produce mock images of the sky. All of TAO’s features can be accessed without any programming requirements. The modular nature of TAO opens it up for further expansion in the future

  7. Dashboard auditing of ABC (Activity-Based Costing). Theoretical approaches

    OpenAIRE

    Căpuşneanu, Sorinel/I

    2009-01-01

    This article aims to define the dashboard auditing according to the specifics of Activity-Based Costing method (ABC). It describes the main objectives of dashboard auditing, the criteria that a dashboard auditor should meet and the step-by-step stages of the entire dashboard auditing process of an enterprise from steel industry according to the Activity-Based Costing method (ABC).

  8. Zirconia-based solid state chemical gas sensors

    CERN Document Server

    Zhuiykov, S

    2000-01-01

    This paper presents an overview of chemical gas sensors, based on solid state technology, that are sensitive to environmental gases, such as O sub 2 , SO sub x , NO sub x , CO sub 2 and hydrocarbons. The paper is focussed on performance of electrochemical gas sensors that are based on zirconia as a solid electrolyte. The paper considers sensor structures and selection of electrode materials. Impact of interfaces on sensor performance is discussed. This paper also provides a brief overview of electrochemical properties of zirconia and their effect on sensor performance. Impact of auxiliary materials on sensors performance characteristics, such as sensitivity, selectivity, response time and recovery time, is also discussed. Dual gas sensors that can be applied for simultaneous monitoring of the concentration of both oxygen and other gas phase components, are briefly considered

  9. Solid-State Quantum Computer Based on Scanning Tunneling Microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Berman, G. P.; Brown, G. W.; Hawley, M. E.; Tsifrinovich, V. I.

    2001-08-27

    We propose a solid-state nuclear-spin quantum computer based on application of scanning tunneling microscopy (STM) and well-developed silicon technology. It requires the measurement of tunneling-current modulation caused by the Larmor precession of a single electron spin. Our envisioned STM quantum computer would operate at the high magnetic field ({approx}10 T) and at low temperature {approx}1 K .

  10. Solid-State Quantum Computer Based on Scanning Tunneling Microscopy

    International Nuclear Information System (INIS)

    Berman, G. P.; Brown, G. W.; Hawley, M. E.; Tsifrinovich, V. I.

    2001-01-01

    We propose a solid-state nuclear-spin quantum computer based on application of scanning tunneling microscopy (STM) and well-developed silicon technology. It requires the measurement of tunneling-current modulation caused by the Larmor precession of a single electron spin. Our envisioned STM quantum computer would operate at the high magnetic field (∼10 T) and at low temperature ∼1 K

  11. Theoretical study of GC+/GC base pair derivatives

    International Nuclear Information System (INIS)

    Meng Fancui; Wang Huanjie; Xu Weiren; Liu Chengbu

    2005-01-01

    The geometries of R (R=CH 3 , CH 3 O, F, NO 2 ) substituted GC base pair derivatives and their cations have been optimized at B3LYP/6-31G* level and the substituent effects on the neutral and cationic geometric structures and energies have been discussed. The inner reorganization energies of various base pair derivatives and the native GC base pair have been calculated to discuss the substituent effects on the reorganization energy. NBO (natural bond orbital) analysis has been carried out on both the neutral and the cationic systems to investigate the differences of the charge distributions and the electronic structures. The outcomes indicate that 8-CH 3 O-G:C has the greatest reorganization energy and 8-NO 2 -G:C has the least, while the other substituted base pairs have a reorganization energy close to that of G:C. The one charge is mostly localized on guanine part after ionization and as high as 0.95e. The bond distances of N1-N3'andN2-O2' in the cationic base pair derivatives shortened and that of O6-N4' elongated as compared with the corresponding bond distances of the neutral GC base pair derivatives

  12. Audiovisual Rehabilitation in Hemianopia: A Model-Based Theoretical Investigation.

    Science.gov (United States)

    Magosso, Elisa; Cuppini, Cristiano; Bertini, Caterina

    2017-01-01

    stimuli into short-latency saccades, possibly moving the stimuli into visual detection regions. The retina-SC-extrastriate circuit is related to restitutive effects: visual stimuli can directly elicit visual detection with no need for eye movements. Model predictions and assumptions are critically discussed in view of existing behavioral and neurophysiological data, forecasting that other oculomotor compensatory mechanisms, beyond short-latency saccades, are likely involved, and stimulating future experimental and theoretical investigations.

  13. Complementary Theoretical Perspectives on Task-Based Classroom Realities

    Science.gov (United States)

    Jackson, Daniel O.; Burch, Alfred Rue

    2017-01-01

    Tasks are viewed as a principled foundation for classroom teaching, social interaction, and language development. This special issue sheds new light on how task-based classroom practices are supported by a diverse range of principles. This introduction describes current trends in classroom practice and pedagogic research in relation to task-based…

  14. Proto-ribosome: a theoretical approach based on RNA relics

    OpenAIRE

    Demongeot, Jacques

    2017-01-01

    We describe in this paper, based on already published articles, a contribution to the theory postulating the existence of a proto-ribosome, which could have appeared early at the origin of life and we discuss the interest of this notion in an evolutionary perspective, taking into account the existence of possible RNA relics of this proto-ribosome.

  15. Novel solidsolid phase change material based on polyethylene glycol and cellulose used for temperature stabilisation

    Directory of Open Access Journals (Sweden)

    Wojda Marta

    2014-01-01

    Full Text Available Thermal management is one of crucial issues in the development of modern electronic devices. In the recent years interest in phase change materials (PCMs as alternative cooling possibility has increased significantly. Preliminary results concerning the research into possibility of the use of solid-solid phase change materials (S-S PCMs for stabilisation temperature of electronic devices has been presented in the paper. Novel solid-solid phase change material based on polyethylene glycol and cellulose has been synthesized. Attempt to improve its thermal conductivity has been taken. Material has been synthesized for the purpose of stabilisation of temperature of electronic devices.

  16. Solid formation in piperazine rate-based simulation

    DEFF Research Database (Denmark)

    Gaspar, Jozsef; Thomsen, Kaj; von Solms, Nicolas

    2014-01-01

    of view but also from a modeling perspective. The present work develops a rate-based model for CO2 absorption and desorption modeling for gas-liquid-solid systems and it is demonstrated for the piperazine CO2 capture process. This model is an extension of the DTU CAPCO2 model to precipitating systems....... It uses the extended UNIQUAC thermodynamic model for phase equilibria and thermal properties estimation. The mass and heat transfer phenomena is implemented in a film model approach, based on second order reactions kinetics. The transfer fluxes are calculated using the concentration of the dissolved...

  17. Experimental and Theoretical Study of Microturbine-Based BCHP System

    International Nuclear Information System (INIS)

    Fairchild, P.D.

    2001-01-01

    On-site and near-site distributed power generation (DG), as part of a Buildings Cooling, Heating and Power (BCHP) system, brings both electricity and waste heat from the DG sources closer to the end user's electric and thermal loads. Consequently, the waste heat can be used as input power for heat-activated air conditioners, chillers, and desiccant dehumidification systems; to generate steam for space heating; or to provide hot water for laundry, kitchen, cleaning services and/or rest rooms. By making use of what is normally waste heat, BCHP systems meet a building's electrical and thermal loads with a lower input of fossil fuel, yielding resource efficiencies of 40 to 70% or more. To ensure the success of BCHP systems, interactions of a DG system-such as a microturbine and thermal heat recovery units under steady-state modes of operation with various exhaust back pressures-must be considered. This article studies the performance and emissions of a 30-kW microturbine over a range of design and off-design conditions in steady-state operating mode with various back pressures. In parallel with the experimental part of the project, a BCHP mathematical model was developed describing basic thermodynamic and hydraulic processes in the system, heat and material balances, and the relationship of the balances. to the system configuration. The model can determine the efficiency of energy conversion both for an individual microturbine unit and for the entire BCHP system for various system configurations and external loads. Based on actual data Tom a 30-kW microturbine, linear analysis was used to obtain an analytical relationship between the changes in the thermodynamic and hydraulic parameters of the system. The actual data show that, when the backpressure at the microturbine exhaust outlet is increased to the maximum of 7 in. WC (0.017 atm), the microturbine's useful power output decreases by from 3.5% at a full power setting of 30 kW to 5.5% at a one-third power setting (10

  18. Imitative Modeling as a Theoretical Base for Instructing Language-Disordered Children

    Science.gov (United States)

    Courtright, John A.; Courtright, Illene C.

    1976-01-01

    A modification of A. Bandura's social learning theory (imitative modeling) was employed as a theoretical base for language instruction with eight language disordered children (5 to 10 years old). (Author/SBH)

  19. Awareness-based game-theoretic space resource management

    Science.gov (United States)

    Chen, Genshe; Chen, Huimin; Pham, Khanh; Blasch, Erik; Cruz, Jose B., Jr.

    2009-05-01

    Over recent decades, the space environment becomes more complex with a significant increase in space debris and a greater density of spacecraft, which poses great difficulties to efficient and reliable space operations. In this paper we present a Hierarchical Sensor Management (HSM) method to space operations by (a) accommodating awareness modeling and updating and (b) collaborative search and tracking space objects. The basic approach is described as follows. Firstly, partition the relevant region of interest into district cells. Second, initialize and model the dynamics of each cell with awareness and object covariance according to prior information. Secondly, explicitly assign sensing resources to objects with user specified requirements. Note that when an object has intelligent response to the sensing event, the sensor assigned to observe an intelligent object may switch from time-to-time between a strong, active signal mode and a passive mode to maximize the total amount of information to be obtained over a multi-step time horizon and avoid risks. Thirdly, if all explicitly specified requirements are satisfied and there are still more sensing resources available, we assign the additional sensing resources to objects without explicitly specified requirements via an information based approach. Finally, sensor scheduling is applied to each sensor-object or sensor-cell pair according to the object type. We demonstrate our method with realistic space resources management scenario using NASA's General Mission Analysis Tool (GMAT) for space object search and track with multiple space borne observers.

  20. Game-Theoretic Models for Usage-based Maintenance Contract

    Science.gov (United States)

    Husniah, H.; Wangsaputra, R.; Cakravastia, A.; Iskandar, B. P.

    2018-03-01

    A usage-based maintenance contracts with coordination and non coordination between two parties is studied in this paper. The contract is applied to a dump truck operated in a mining industry. The situation under study is that an agent offers service contract to the owner of the truck after warranty ends. This contract has only a time limit but no usage limit. If the total usage per period exceeds the maximum usage allowed in the contract, then the owner will be charged an additional cost. In general, the agent (Original Equipment Manufacturer/OEM) provides a full coverage of maintenance, which includes PM and CM under the lease contract. The decision problem for the owner is to select the best option offered that fits to its requirement, and the decision problem for the agent is to find the optimal maintenance efforts for a given price of the service option offered. We first find the optimal decisions using coordination scheme and then with non coordination scheme for both parties.

  1. Theoretical study of impurity effects in iron-based superconductors

    Science.gov (United States)

    Navarro Gastiasoro, Maria; Hirschfeld, Peter; Andersen, Brian

    2013-03-01

    Several open questions remain unanswered for the iron-based superconductors (FeSC), including the importance of electronic correlations and the symmetry of the superconducting order parameter. Motivated by recent STM experiments which show a fascinating variety of resonant defect states in FeSC, we adopt a realistic five-band model including electronic Coulomb correlations to study local effects of disorder in the FeSC. In order to minimize the number of free parameters, we use the pairing interactions obtained from spin-fluctuation exchange to determine the homogeneous superconducting state. The ability of local impurity potentials to induce resonant states depends on their scattering strength Vimp; in addition, for appropriate Vimp, such states are associated with local orbital- and magnetic order. We investigate the density of states near such impurities and show how tunneling experiments may be used to probe local induced order. In the SDW phase, we show how C2 symmetry-breaking dimers are naturally formed around impurities which also form cigar-like (pi,pi) structures embedded in the (pi,0) magnetic bulk phase. Such electronic dimers have been shown to be candidates for explaining the so-called nematogens observed previously by QPI in Co-doped CaFe2As2.

  2. Novel Nanostructured Solid Materials for Modulating Oral Drug Delivery from Solid-State Lipid-Based Drug Delivery Systems.

    Science.gov (United States)

    Dening, Tahnee J; Rao, Shasha; Thomas, Nicky; Prestidge, Clive A

    2016-01-01

    Lipid-based drug delivery systems (LBDDS) have gained significant attention in recent times, owing to their ability to overcome the challenges limiting the oral delivery of poorly water-soluble drugs. Despite the successful commercialization of several LBDDS products over the years, a large discrepancy exists between the number of poorly water-soluble drugs displaying suboptimal in vivo performances and the application of LBDDS to mitigate their various delivery challenges. Conventional LBDDS, including lipid solutions and suspensions, emulsions, and self-emulsifying formulations, suffer from various drawbacks limiting their widespread use and commercialization. Accordingly, solid-state LBDDS, fabricated by adsorbing LBDDS onto a chemically inert solid carrier material, have attracted substantial interest as a viable means of stabilizing LBDDS whilst eliminating some of the various limitations. This review describes the impact of solid carrier choice on LBDDS performance and highlights the importance of appropriate solid carrier material selection when designing hybrid solid-state LBDDS. Specifically, emphasis is placed on discussing the ability of the specific solid carrier to modulate drug release, control lipase action and lipid digestion, and enhance biopharmaceutical performance above the original liquid-state LBDDS. To encourage the interested reader to consider their solid carrier choice on a higher level, various novel materials with the potential for future use as solid carriers for LBDDS are described. This review is highly significant in guiding future research directions in the solid-state LBDDS field and fostering the translation of these delivery systems to the pharmaceutical marketplace.

  3. Theoretical study on volatile organic compound removal and energy performance of a novel heat pump assisted solid desiccant cooling system

    DEFF Research Database (Denmark)

    Nie, Jinzhe; Fang, Lei; Zhang, Ge

    2015-01-01

    for cooling, dehumidification and indoor air cleaning in normal office, commercial or residential buildings. The desiccant rotor was used for dehumidification and indoor air cleaning; the heat pump provided sensible cooling and regeneration heat for the desiccant rotor. The theoretical model consisted of two...... and predicted. The theoretical model was validated by experimental data. Validating results showed that the model could be used to predict the performance of HP-SDC. The results also showed that the HP-SDC could clean air borne contaminants effectively and could provide an energy efficient choice...

  4. Theoretical study of the transmission of low-energy (0-10 eV) electrons through thin-film organic molecular solids: benzene

    International Nuclear Information System (INIS)

    Goulet, T.; Jay-Gerin, J.-P.

    1986-01-01

    A theoretical study of the transmission of low-energy (0 to 10 eV) electrons incident from vacuum through thin-film organic molecular solids deposited on a cold metal substrate is presented and developed for the specific case of solid benzene. In essence, using a semiclassical description of electron transport in solids with an energy-independent scattering mean free path and assuming an isotropic electron scattering, the behavior of a penetrating electron in the film is simulated when a large number of scattering events are present. The good agreement between the calculated electron transmission spectra and those obtained experimentally indicates that our study provides a realistic description of the electron transport in the film, and accounts for the influence of the various electron-molecule scattering processes upon the energy dependence of the transmitted current. In particular, we show that the excitonic subionization energy losses are at the origin of the main structures of the observed electron transmission spectra. It is also shown that our study can successfully be used to estimate the probabilities of the various electron scattering processes which occur in the film, as well as the electron mean free path (l). For solid benzene, l is about 8 A in the considered electron energy range. (author)

  5. All-solid-state reference electrodes based on conducting polymers.

    Science.gov (United States)

    Kisiel, Anna; Marcisz, Honorata; Michalska, Agata; Maksymiuk, Krzysztof

    2005-12-01

    A novel construction of solution free (pseudo)reference electrodes, compatible with all-solid-state potentiometric indicator electrodes, has been proposed. These electrodes use conducting polymers (CP): polypyrrole (PPy) or poly(3,4-ethylenedioxythiophene) (PEDOT). Two different arrangements have been tested: solely based on CP and those where the CP phase is covered with a poly(vinyl chloride) based outer membrane of tailored composition. The former arrangement was designed to suppress or compensate cation- and anion-exchange, using mobile perchlorate ions and poly(4-styrenesulfonate) or dodecylbenzenesulfonate anions as immobilized dopants. The following systems were used: (i) polypyrrole layers doped simultaneously by two kinds of anions, both mobile and immobilized in the polymer layer; (ii) bilayers of polypyrrole with anion exchanging inner layer and cation-exchanging outer layer; (iii) polypyrrole doped by surfactant dodecylbenzenesulfonate ions, which inhibit ion exchange on the polymer/solution interface. For the above systems, recorded potentials have been found to be practically independent of electrolyte concentration. The best results, profound stability of potentials, have been obtained for poly(3,4-ethylenedioxythiophene) or polypyrrole doped by poly(4-styrenesulfonate) anions covered by a poly(vinyl chloride) based membrane, containing both anion- and cation-exchangers as well as solid potassium chloride and silver chloride with metallic silver. Differently to the cases (i)-(iii) these electrodes are much less sensitive to the influence of redox and pH interferences. This arrangement has been also characterized using electrochemical impedance spectroscopy and chronopotentiometry.

  6. Theoretical investigations on the elastic and thermodynamic properties of Ti2AlC0.5N0.5 solid solution

    International Nuclear Information System (INIS)

    Du, Y.L.; Sun, Z.M.; Hashimoto, H.; Barsoum, M.W.

    2009-01-01

    We have performed theoretical studies on the elastic and thermodynamic properties of the solid solution: Ti 2 AlC 0.5 N 0.5 . The lattice parameters, elastic constants, bulk, shear, Young's moduli, Poisson's ratio and Debye temperature were calculated and compared with those of the end members, Ti 2 AlC and Ti 2 AlN. The temperature dependence of the bulk moduli, thermal expansion coefficient and specific heats of Ti 2 AlC 0.5 N 0.5 were obtained from the quasi-harmonic Debye model. The calculated elastic and thermodynamic properties were compared with experimental data.

  7. Theromdynamics of carbon in nickel-based multicomponent solid solutions

    International Nuclear Information System (INIS)

    Bradley, D.J.

    1978-04-01

    The activity coefficient of carbon in nickel, nickel-titanium, nickel-titanium-chromium, nickel-titanium-molybdenum and nickel-titanium-molybdenum-chromium alloys has been measured at 900, 1100 and 1215 0 C. The results indicate that carbon obeys Henry's Law over the range studied (0 to 2 at. percent). The literature for the nickel-carbon and iron-carbon systems are reviewed and corrected. For the activity of carbon in iron as a function of composition, a new relationship based on re-evaluation of the thermodynamics of the CO/CO 2 equilibrium is proposed. Calculations using this relationship reproduce the data to within 2.5 percent, but the accuracy of the calibrating standards used by many investigators to analyze for carbon is at best 5 percent. This explains the lack of agreement between the many precise sets of data. The values of the activity coefficient of carbon in the various solid solutions are used to calculate a set of parameters for the Kohler-Kaufman equation. The calculations indicate that binary interaction energies are not sufficient to describe the thermodynamics of carbon in some of the nickel-based solid solutions. The results of previous workers for carbon in nickel-iron alloys are completely described by inclusion of ternary terms in the Kohler-Kaufman equation. Most of the carbon solid solution at high temperatures in nickel and nickel-titantium alloys precipitates from solution on quenching in water. The precipitate is composed of very small particles (greater than 2.5 nm) of elemental carbon. The results of some preliminary thermomigration experiments are discussed and recommendations for further work are presented

  8. Heterogeneous all-solid multicore fiber based multipath Michelson interferometer for high temperature sensing.

    Science.gov (United States)

    Duan, Li; Zhang, Peng; Tang, Ming; Wang, Ruoxu; Zhao, Zhiyong; Fu, Songnian; Gan, Lin; Zhu, Benpeng; Tong, Weijun; Liu, Deming; Shum, Perry Ping

    2016-09-05

    A compact high temperature sensor utilizing a multipath Michelson interferometer (MI) structure based on weak coupling multicore fiber (MCF) is proposed and experimentally demonstrated. The device is fabricated by program-controlled tapering the spliced region between single mode fiber (SMF) and a segment of MCF. After that, a spherical reflective structure is formed by arc-fusion splicing the end face of MCF. Theoretical analysis has been implemented for this specific multipath MI structure; beam propagation method based simulation and corresponding experiments were performed to investigate the effect of taper and spherical end face on system's performance. Benefiting from the multipath interferences and heterogeneous structure between the center core and surrounding cores of the all-solid MCF, an enhanced temperature sensitivity of 165 pm/°C up to 900°C and a high-quality interference spectrum with 25 dB fringe visibility were achieved.

  9. Theoretical and experimental analysis of the contact between a solid-rubber tire and a chassis dynamometer

    Science.gov (United States)

    Belkin, A. E.; Semenov, V. K.

    2016-05-01

    We consider the problem of modeling the test where a solid-rubber tire runs on a chassis dynamometer for determining the tire rolling resistance characteristics.We state the problem of free steady-state rolling of the tire along the test drum with the energy scattering in the rubber in the course of cyclic deformation taken into account. The viscoelastic behavior of the rubber is described by the Bergströ m-Boyce model whose numerical parameters are experimentally determined from the results of compression tests with specimens. The finite element method is used to obtain the solution of the three-dimensional viscoelasticity problem. To estimate the adequacy of the constructed model, we compare the numerical results with the results obtained in the solid-rubber tire tests on the Hasbach stand from the values of the rolling resistance forces for various loads on the tire.

  10. Solid tritium breeder materials-Li2O and LiAlO2: a data base review

    International Nuclear Information System (INIS)

    Liu, Y.Y.; Billone, M.C.; Clemmer, R.G.; Fischer, A.K.; Hollenberg, G.W.; Tam, S.W.

    1985-01-01

    The fabrication, properties, and irradiation behavior of Li 2 O and γ-LiAlO 2 are reviewed and assessed to determine the potential of these materials to satisfy the basic solid breeder blanket performance requirements. Based on the data analysis and theoretical modeling, a set of major technical uncertainties is identified. These uncertainties include: fabricability of sphere-pac solid breeders; high fluence and burnup effects on thermal conductivity and microstructural stability; high fluence and burnup effects on tritium diffusion coefficients at low temperature; relationship among purge flow chemistry, surface adsorption, and species of released tritium; and mechanical properties and the loads imposed on the structural materials by the breeder during blanket operation. Resolution of these issues is important in assuring that solid breeder blankets can be designed with confidence

  11. Application of the thermal step method to space charge measurements in inhomogeneous solid insulating structures: A theoretical approach

    International Nuclear Information System (INIS)

    Cernomorcenco, Andrei; Notingher, Petru Jr.

    2008-01-01

    The thermal step method is a nondestructive technique for determining electric charge distribution across solid insulating structures. It consists in measuring and analyzing a transient capacitive current due to the redistribution of influence charges when the sample is crossed by a thermal wave. This work concerns the application of the technique to inhomogeneous insulating structures. A general equation of the thermal step current appearing in such a sample is established. It is shown that this expression is close to the one corresponding to a homogeneous sample and allows using similar techniques for calculating electric field and charge distribution

  12. The persuasive aims of Metal Gear Solid: A discourse theoretical approach to the study of argumentation in video games

    DEFF Research Database (Denmark)

    Stamenkovic, Dusan; Jacevic, Milan; Wildfeuer, Janina

    2017-01-01

    in a representative video game combine so as to convince the player to act, play, and perhaps think accordingly. The multimodal approach employed in the paper combines the notion of discourse aims and the rhetorical and argumentative structure of Metal Gear Solid (Kojima, 1998), and analyses different narrative...... strategies and verbal cues, as well as the overall interface, control, and gameplay. The results suggest that verbal and textual cues combine with audio-visual elements and highly specific gameplay strategies in order to refrain the player from killing enemies. This might indicate that video games are likely...

  13. Theoretical Model for the Performance of Liquid Ring Pump Based on the Actual Operating Cycle

    Directory of Open Access Journals (Sweden)

    Si Huang

    2017-01-01

    Full Text Available Liquid ring pump is widely applied in many industry fields due to the advantages of isothermal compression process, simple structure, and liquid-sealing. Based on the actual operating cycle of “suction-compression-discharge-expansion,” a universal theoretical model for performance of liquid ring pump was established in this study, to solve the problem that the theoretical models deviated from the actual performance in operating cycle. With the major geometric parameters and operating conditions of a liquid ring pump, the performance parameters such as the actual capacity for suction and discharge, shaft power, and global efficiency can be conveniently predicted by the proposed theoretical model, without the limitation of empiric range, performance data, or the detailed 3D geometry of pumps. The proposed theoretical model was verified by experimental performances of liquid ring pumps and could provide a feasible tool for the application of liquid ring pump.

  14. The research of hourglass worm dynamic balancing simulation based on SolidWorks motion

    Science.gov (United States)

    Wang, Zhuangzhuang; Yang, Jie; Liu, Pingyi; Zhao, Junpeng

    2018-02-01

    Hourglass worm is extensively used in industry due to its characteristic of heavy-load and a large reduction ratio. Varying sizes of unbalanced mass distribution appeared in the design of a single head worm. With machines developing towards higher speed and precision, the vibration and shock caused by the unbalanced mass distribution of rotating parts must be considered. Therefore, the balance grade of these parts must meet higher requirements. A method based on theoretical analysis and SolidWorks motion software simulation is presented in this paper; the virtual dynamic balance simulation test of the hourglass worm was carried out during the design of the product, so as to ensure that the hourglass worm meet the requirements of dynamic balance in the design process. This can effectively support the structural design of the hourglass worm and provide a way of thinking and designing the same type of products.

  15. Mathematical modeling of ethanol production in solid-state fermentation based on solid medium' dry weight variation.

    Science.gov (United States)

    Mazaheri, Davood; Shojaosadati, Seyed Abbas; Zamir, Seyed Morteza; Mousavi, Seyyed Mohammad

    2018-04-21

    In this work, mathematical modeling of ethanol production in solid-state fermentation (SSF) has been done based on the variation in the dry weight of solid medium. This method was previously used for mathematical modeling of enzyme production; however, the model should be modified to predict the production of a volatile compound like ethanol. The experimental results of bioethanol production from the mixture of carob pods and wheat bran by Zymomonas mobilis in SSF were used for the model validation. Exponential and logistic kinetic models were used for modeling the growth of microorganism. In both cases, the model predictions matched well with the experimental results during the exponential growth phase, indicating the good ability of solid medium weight variation method for modeling a volatile product formation in solid-state fermentation. In addition, using logistic model, better predictions were obtained.

  16. Theoretical and Experimental Analysis of Adsorption in Surface-based Biosensors

    DEFF Research Database (Denmark)

    Hansen, Rasmus

    The present Ph.D. dissertation concerns the application of surface plasmon resonance (SPR) spectroscopy, which is a surface-based biosensor technology, for studies of adsorption dynamics. The thesis contains both experimental and theoretical work. In the theoretical part we develop the theory...... cell of the surface-based biosensor, in addition to the sensor surface, is investigated. In the experimental part of the thesis we use a Biacore SPR sensor to study lipase adsorption on model substrate surfaces, as well as competitive adsorption of lipase and surfactants. A part of the experimental...

  17. Theoretical study of coupling mechanisms between oxygen diffusion, chemical reaction, mechanical stresses in a solid-gas reactive system

    International Nuclear Information System (INIS)

    Creton, N.; Optasanu, V.; Montesin, T.; Garruchet, S.

    2008-01-01

    This paper offers a study of oxygen dissolution into a solid, and its consequences on the mechanical behaviour of the material. In fact, mechanical strains strongly influence the oxidation processes and may be, in some materials, responsible for cracking. To realize this study, mechanical considerations are introduced into the classical diffusion laws. Simulations were made for the particular case of uranium dioxide, which undergoes the chemical fragmentation. According to our simulations, the hypothesis of a compression stress field into the oxidised UO 2 compound near the internal interface is consistent with some oxidation mechanisms of oxidation experimentally observed. More generally, this work will be extended to the simulation to an oxide layer growth on a metallic substrate. (authors)

  18. A Model of Solid Waste Management Based Multilateral Co-Operation in Semi-Urban Community

    Science.gov (United States)

    Kanchanabhandhu, Chanchai; Woraphong, Seree

    2016-01-01

    The purpose of this research was to construct a model of solid waste management based on multilateral cooperation in semi-urban community. Its specific objectives were to 1) study the solid waste situation and involvement of community in the solid waste management in Wangtaku Sub-district, Muang District, Nakhon Pathom Province; 2) construct a…

  19. Theoretical and empirical bases for dialect-neutral language assessment: contributions from theoretical and applied linguistics to communication disorders.

    Science.gov (United States)

    Pearson, Barbara Zurer

    2004-02-01

    Three avenues of theoretical research provide insights for discovering abstract properties of language that are subject to disorder and amenable to assessment: (1) the study of universal grammar and its acquisition; (2) descriptions of African American English (AAE) Syntax, Semantics, and Phonology within theoretical linguistics; and (3) the study of specific language impairment (SLI) cross-linguistically. Abstract linguistic concepts were translated into a set of assessment protocols that were used to establish normative data on language acquisition (developmental milestones) in typically developing AAE children ages 4 to 9 years. Testing AAE-speaking language impaired (LI) children and both typically developing (TD) and LI Mainstream American English (MAE)-learning children on these same measures provided the data to select assessments for which (1) TD MAE and AAE children performed the same, and (2) TD performance was reliably different from LI performance in both dialect groups.

  20. Substituent effif ects on hydrogen bonding in Watson-Crick base pairs. A theoretical study

    NARCIS (Netherlands)

    Fonseca Guerra, C.; van der Wijst, T.; Bickelhaupt, F.M.

    2005-01-01

    We have theoretically analyzed Watson-Crick AT and GC base pairs in which purine C8 and/or pyrimidine C6 positions carry a substituent X = H, F, Cl or Br, using the generalized gradient approximation (GGA) of density functional theory at BP86/TZ2P. The purpose is to study the effects on structure

  1. Study on the Theoretical Foundation of Business English Curriculum Design Based on ESP and Needs Analysis

    Science.gov (United States)

    Zhu, Wenzhong; Liu, Dan

    2014-01-01

    Based on a review of the literature on ESP and needs analysis, this paper is intended to offer some theoretical supports and inspirations for BE instructors to develop BE curricula for business contexts. It discusses how the theory of need analysis can be used in Business English curriculum design, and proposes some principles of BE curriculum…

  2. Theoretical and practical bases of transfer pricing formation at the microlevel in terms of national economy

    OpenAIRE

    Oksana Desyatniuk; Olga Cherevko

    2015-01-01

    The theoretical and methodological bases of transfer pricing formation at microlevel are studied. The factors acting upon transfer pricing are analysed and the algorithm to form transfer price at an enterprise is suggested. The model example to choose the method of transfer pricing and calculate the profitability interval meeting modern legal requirements is considered.

  3. Rheokinetic Analysis of Hydroxy Terminated Polybutadiene Based Solid Propellant Slurry

    Directory of Open Access Journals (Sweden)

    Abhay K Mahanta

    2010-01-01

    Full Text Available The cure kinetics of propellant slurry based on hydroxy-terminated polybutadiene (HTPB and toluene diisocyanate (TDI polyurethane reaction has been studied by viscosity build up method. The viscosity (ɳ–time (t plots conform to the exponential function ɳ = aebt, where a & b are empirical constants. The rate constants (k for viscosity build up at various shear rate (rpm, evaluated from the slope of dɳ/dt versus ɳ plots at different temperatures, were found to vary from 0.0032 to 0.0052 min-1. It was observed that the increasing shear rate did not have significant effect on the reaction rate constants for viscosity build up of the propellant slurry. The activation energy (Eɳ, calculated from the Arrhenius plots, was found to be 13.17±1.78 kJ mole-1, whereas the activation enthalpy (∆Hɳ* and entropy (∆Sɳ* of the propellant slurry, calculated from Eyring relationship, were found to be 10.48±1.78 kJ mole-1 and –258.51± 5.38 J mole-1K-1, respectively. The reaction quenching temperature of the propellant slurry was found to be -9 ° C, based upon the experimental data. This opens up an avenue for a “freeze-and-store”, then “warm-up and cast”, mode of manufacturing of very large solid rocket propellant grains.

  4. High temperature fuel cell with ceria-based solid electrolyte

    International Nuclear Information System (INIS)

    Arai, H.; Eguchi, K.; Yahiro, H.; Baba, Y.

    1987-01-01

    Cation-doped ceria is investigated as an electrolyte for the solid oxide fuel cell. As for application to the fuel cells, the electrolyte are desired to have high ionic conductivity in deriving a large electrical power. A series of cation-doped ceria has higher ionic conductivity than zirconia-based oxides. In the present study, the basic electrochemical properties of cation-doped ceria were studied in relation to the application of fuel cells. The performance of fuel cell with yttria-doped ceria electrolyte was evaluated. Ceria-based oxides were prepared by calcination of oxide mixtures of the components or calcination of co-precipitated hydroxide mixtures from the metal nitrate solution. The oxide mixtures thus obtained were sintered at 1650 0 C for 15 hr in air into disks. Ionic transference number, t/sub i/, was estimated from emf of oxygen concentration cell. Electrical conductivities were measured by dc-4 probe method by varying the oxygen partial pressure. The fuel cell was operated by oxygen and hydrogen

  5. Theoretical and Experimental Study on Secondary Piezoelectric Effect Based on PZT-5

    International Nuclear Information System (INIS)

    Zhang, Z H; Sun, B Y; Shi, L P

    2006-01-01

    The purpose of this paper is to confirm the existence of secondary and multiple piezoelectric effect theoretically and experimentally. Based on Heckmann model showing the relationship among mechanical, electric and heat energy and the physical model on mechanical, electric, heat, and magnetic energy, theoretical analysis of multiple piezoelectric effect is made through four kinds of piezoelectric equations. Experimental research of secondary direct piezoelectric effect is conducted through adopting PZT-5 piles. The result of the experiment indicates that charge generated by secondary direct piezoelectric effect as well as displacement caused by first converse piezoelectric effect keeps fine linearity with the applied voltage

  6. GaN based nanorods for solid state lighting

    Energy Technology Data Exchange (ETDEWEB)

    Li Shunfeng; Waag, Andreas [Institute of Semiconductor Technology, Braunschweig University of Technology, 38106 Braunschweig (Germany)

    2012-04-01

    In recent years, GaN nanorods are emerging as a very promising novel route toward devices for nano-optoelectronics and nano-photonics. In particular, core-shell light emitting devices are thought to be a breakthrough development in solid state lighting, nanorod based LEDs have many potential advantages as compared to their 2 D thin film counterparts. In this paper, we review the recent developments of GaN nanorod growth, characterization, and related device applications based on GaN nanorods. The initial work on GaN nanorod growth focused on catalyst-assisted and catalyst-free statistical growth. The growth condition and growth mechanisms were extensively investigated and discussed. Doping of GaN nanorods, especially p-doping, was found to significantly influence the morphology of GaN nanorods. The large surface of 3 D GaN nanorods induces new optical and electrical properties, which normally can be neglected in layered structures. Recently, more controlled selective area growth of GaN nanorods was realized using patterned substrates both by metalorganic chemical vapor deposition (MOCVD) and by molecular beam epitaxy (MBE). Advanced structures, for example, photonic crystals and DBRs are meanwhile integrated in GaN nanorod structures. Based on the work of growth and characterization of GaN nanorods, GaN nanoLEDs were reported by several groups with different growth and processing methods. Core/shell nanoLED structures were also demonstrated, which could be potentially useful for future high efficient LED structures. In this paper, we will discuss recent developments in GaN nanorod technology, focusing on the potential advantages, but also discussing problems and open questions, which may impose obstacles during the future development of a GaN nanorod based LED technology.

  7. The quaternary state of polymerized human hemoglobin regulates oxygenation of breast cancer solid tumors: A theoretical and experimental study

    Science.gov (United States)

    Ju, Julia A.; Baek, Jin Hyen; Yalamanoglu, Ayla; Buehler, Paul W.; Gilkes, Daniele M.; Palmer, Andre F.

    2018-01-01

    A major constraint in the treatment of cancer is inadequate oxygenation of the tumor mass, which can reduce chemotherapeutic efficacy. We hypothesize that polymerized human hemoglobin (PolyhHb) can be transfused into the systemic circulation to increase solid tumor oxygenation, and improve chemotherapeutic outcomes. By locking PolyhHb in the relaxed (R) quaternary state, oxygen (O2) offloading at low O2 tensions (20 mm Hg) is facilitated with tense (T) state PolyhHb. Therefore, R-state PolyhHb may deliver significantly more O2 to hypoxic tissues. Biophysical parameters of T and R-state PolyhHb were used to populate a modified Krogh tissue cylinder model to assess O2 transport in a tumor. In general, we found that increasing the volume of transfused PolyhHb decreased the apparent viscosity of blood in the arteriole. In addition, we found that PolyhHb transfusion decreased the wall shear stress at large arteriole diameters (>20 μm), but increased wall shear stress for small arteriole diameters (state PolyhHb may be more effective than T-state PolyhHb for O2 delivery at similar transfusion volumes. Reduction in the apparent viscosity resulting from PolyhHb transfusion may result in significant changes in flow distributions throughout the tumor microcirculatory network. The difference in wall shear stress implies that PolyhHb may have a more significant effect in capillary beds through mechano-transduction. Periodic top-load transfusions of PolyhHb into mice bearing breast tumors confirmed the oxygenation potential of both PolyhHbs via reduced hypoxic volume, vascular density, tumor growth, and increased expression of hypoxia inducible genes. Tissue section analysis demonstrated primary PolyhHb clearance occurred in the liver and spleen indicating a minimal risk for renal damage. PMID:29414985

  8. Transparency in Transcribing: Making Visible Theoretical Bases Impacting Knowledge Construction from Open-Ended Interview Records

    Directory of Open Access Journals (Sweden)

    Audra Skukauskaite

    2012-01-01

    Full Text Available This article presents a reflexive analysis of two transcripts of an open-ended interview and argues for transparency in transcribing processes and outcomes. By analyzing ways in which a researcher's theories become consequential in producing and using transcripts of an open-ended interview, this paper makes visible the importance of examining and presenting theoretical bases of transcribing decisions. While scholars across disciplines have argued that transcribing is a theoretically laden process (GREEN, FRANQUIZ & DIXON, 1997; KVALE & BRINKMAN, 2009, few have engaged in reflexive analyses of the data history to demonstrate the consequences particular theoretical and methodological approaches pose in producing knowledge claims and inciting dialogues across traditions. The article demonstrates how theory-method-claim relationships in transcribing influence research transparency and warrantability. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs1201146

  9. Flow electrochemical biosensors based on enzymatic porous reactor and tubular detector of silver solid amalgam

    Czech Academy of Sciences Publication Activity Database

    Josypčuk, Bohdan; Barek, J.; Josypčuk, Oksana

    2013-01-01

    Roč. 778, MAY 2013 (2013), s. 24-30 ISSN 0003-2670 R&D Projects: GA ČR GAP206/11/1638 Institutional support: RVO:61388955 Keywords : flow analysis * amperometry * silver solid amalgam Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.517, year: 2013

  10. Controllable Solid Propulsion Combustion and Acoustic Knowledge Base Improvements

    Science.gov (United States)

    McCauley, Rachel; Fischbach, Sean; Fredrick, Robert

    2012-01-01

    Controllable solid propulsion systems have distinctive combustion and acoustic environments that require enhanced testing and analysis techniques to progress this new technology from development to production. In a hot gas valve actuating system, the movement of the pintle through the hot gas exhibits complex acoustic disturbances and flow characteristics that can amplify induced pressure loads that can damage or detonate the rocket motor. The geometry of a controllable solid propulsion gas chamber can set up unique unsteady flow which can feed acoustic oscillations patterns that require characterization. Research in this area aids in the understanding of how best to design, test, and analyze future controllable solid rocket motors using the lessons learned from past government programs as well as university research and testing. This survey paper will give the reader a better understanding of the potentially amplifying affects propagated by a controllable solid rocket motor system and the knowledge of the tools current available to address these acoustic disturbances in a preliminary design. Finally the paper will supply lessons learned from past experiences which will allow the reader to come away with understanding of what steps need to be taken when developing a controllable solid rocket propulsion system. The focus of this survey will be on testing and analysis work published by solid rocket programs and from combustion and acoustic books, conference papers, journal articles, and additionally from subject matter experts dealing currently with controllable solid rocket acoustic analysis.

  11. A generalized theoretical framework for the description of spin decoupling in solid-state MAS NMR: Offset effect on decoupling performance

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Kong Ooi; Meier, Beat H., E-mail: beme@ethz.ch, E-mail: maer@ethz.ch; Ernst, Matthias, E-mail: beme@ethz.ch, E-mail: maer@ethz.ch [Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich (Switzerland); Agarwal, Vipin [Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich (Switzerland); TIFR Centre for Interdisciplinary Sciences, 21 Brundavan Colony, Narsinghi, Hyderabad 500 075 (India)

    2016-09-07

    We present a generalized theoretical framework that allows the approximate but rapid analysis of residual couplings of arbitrary decoupling sequences in solid-state NMR under magic-angle spinning conditions. It is a generalization of the tri-modal Floquet analysis of TPPM decoupling [Scholz et al., J. Chem. Phys. 130, 114510 (2009)] where three characteristic frequencies are used to describe the pulse sequence. Such an approach can be used to describe arbitrary periodic decoupling sequences that differ only in the magnitude of the Fourier coefficients of the interaction-frame transformation. It allows a ∼100 times faster calculation of second-order residual couplings as a function of pulse sequence parameters than full spin-dynamics simulations. By comparing the theoretical calculations with full numerical simulations, we show the potential of the new approach to examine the performance of decoupling sequences. We exemplify the usefulness of this framework by analyzing the performance of commonly used high-power decoupling sequences and low-power decoupling sequences such as amplitude-modulated XiX (AM-XiX) and its super-cycled variant SC-AM-XiX. In addition, the effect of chemical-shift offset is examined for both high- and low-power decoupling sequences. The results show that the cross-terms between the dipolar couplings are the main contributions to the line broadening when offset is present. We also show that the SC-AM-XIX shows a better offset compensation.

  12. A generalized theoretical framework for the description of spin decoupling in solid-state MAS NMR: Offset effect on decoupling performance.

    Science.gov (United States)

    Tan, Kong Ooi; Agarwal, Vipin; Meier, Beat H; Ernst, Matthias

    2016-09-07

    We present a generalized theoretical framework that allows the approximate but rapid analysis of residual couplings of arbitrary decoupling sequences in solid-state NMR under magic-angle spinning conditions. It is a generalization of the tri-modal Floquet analysis of TPPM decoupling [Scholz et al., J. Chem. Phys. 130, 114510 (2009)] where three characteristic frequencies are used to describe the pulse sequence. Such an approach can be used to describe arbitrary periodic decoupling sequences that differ only in the magnitude of the Fourier coefficients of the interaction-frame transformation. It allows a ∼100 times faster calculation of second-order residual couplings as a function of pulse sequence parameters than full spin-dynamics simulations. By comparing the theoretical calculations with full numerical simulations, we show the potential of the new approach to examine the performance of decoupling sequences. We exemplify the usefulness of this framework by analyzing the performance of commonly used high-power decoupling sequences and low-power decoupling sequences such as amplitude-modulated XiX (AM-XiX) and its super-cycled variant SC-AM-XiX. In addition, the effect of chemical-shift offset is examined for both high- and low-power decoupling sequences. The results show that the cross-terms between the dipolar couplings are the main contributions to the line broadening when offset is present. We also show that the SC-AM-XIX shows a better offset compensation.

  13. Localized Ambient Solidity Separation Algorithm Based Computer User Segmentation

    Science.gov (United States)

    Sun, Xiao; Zhang, Tongda; Chai, Yueting; Liu, Yi

    2015-01-01

    Most of popular clustering methods typically have some strong assumptions of the dataset. For example, the k-means implicitly assumes that all clusters come from spherical Gaussian distributions which have different means but the same covariance. However, when dealing with datasets that have diverse distribution shapes or high dimensionality, these assumptions might not be valid anymore. In order to overcome this weakness, we proposed a new clustering algorithm named localized ambient solidity separation (LASS) algorithm, using a new isolation criterion called centroid distance. Compared with other density based isolation criteria, our proposed centroid distance isolation criterion addresses the problem caused by high dimensionality and varying density. The experiment on a designed two-dimensional benchmark dataset shows that our proposed LASS algorithm not only inherits the advantage of the original dissimilarity increments clustering method to separate naturally isolated clusters but also can identify the clusters which are adjacent, overlapping, and under background noise. Finally, we compared our LASS algorithm with the dissimilarity increments clustering method on a massive computer user dataset with over two million records that contains demographic and behaviors information. The results show that LASS algorithm works extremely well on this computer user dataset and can gain more knowledge from it. PMID:26221133

  14. Theoretical results on the tandem junction solar cell based on its Ebers-Moll transistor model

    Science.gov (United States)

    Goradia, C.; Vaughn, J.; Baraona, C. R.

    1980-01-01

    A one-dimensional theoretical model of the tandem junction solar cell (TJC) with base resistivity greater than about 1 ohm-cm and under low level injection has been derived. This model extends a previously published conceptual model which treats the TJC as an npn transistor. The model gives theoretical expressions for each of the Ebers-Moll type currents of the illuminated TJC and allows for the calculation of the spectral response, I(sc), V(oc), FF and eta under variation of one or more of the geometrical and material parameters and 1MeV electron fluence. Results of computer calculations based on this model are presented and discussed. These results indicate that for space applications, both a high beginning of life efficiency, greater than 15% AM0, and a high radiation tolerance can be achieved only with thin (less than 50 microns) TJC's with high base resistivity (greater than 10 ohm-cm).

  15. Study of network resource allocation based on market and game theoretic mechanism

    Science.gov (United States)

    Liu, Yingmei; Wang, Hongwei; Wang, Gang

    2004-04-01

    We work on the network resource allocation issue concerning network management system function based on market-oriented mechanism. The scheme is to model the telecommunication network resources as trading goods in which the various network components could be owned by different competitive, real-world entities. This is a multidisciplinary framework concentrating on the similarity between resource allocation in network environment and the market mechanism in economic theory. By taking an economic (market-based and game theoretic) approach in routing of communication network, we study the dynamic behavior under game-theoretic framework in allocating network resources. Based on the prior work of Gibney and Jennings, we apply concepts of utility and fitness to the market mechanism with an intention to close the gap between experiment environment and real world situation.

  16. Particle-based solid for nonsmooth multidomain dynamics

    Science.gov (United States)

    Nordberg, John; Servin, Martin

    2018-04-01

    A method for simulation of elastoplastic solids in multibody systems with nonsmooth and multidomain dynamics is developed. The solid is discretised into pseudo-particles using the meshfree moving least squares method for computing the strain tensor. The particle's strain and stress tensor variables are mapped to a compliant deformation constraint. The discretised solid model thus fit a unified framework for nonsmooth multidomain dynamics simulations including rigid multibodies with complex kinematic constraints such as articulation joints, unilateral contacts with dry friction, drivelines, and hydraulics. The nonsmooth formulation allows for impact impulses to propagate instantly between the rigid multibody and the solid. Plasticity is introduced through an associative perfectly plastic modified Drucker-Prager model. The elastic and plastic dynamics are verified for simple test systems, and the capability of simulating tracked terrain vehicles driving on a deformable terrain is demonstrated.

  17. Bulgarian ethnos according to A.Kh. Khalikov’ works: scientific concept and its theoretical bases

    Directory of Open Access Journals (Sweden)

    Izmaylov Iskander L.

    2017-02-01

    Full Text Available The article is devoted to the problems of Bulgar and Tatar ethnogenesis studied in the works of the prominent Kazan archaeologist A.Kh. Khalikov. His concept was based on the fact that a number of ethnic groups (Turkic, Finno-Ugric, and East Slavic participated in the formation of these peoples and that the key role in these processes was played by their mutual cultural influence. The concept of ethnogenesis and ethnic history of the Tatar people offered by A.Kh. Khalikov was a serious theoretical breakthrough against the background of both ideology-biased historical schemes of the Soviet era and the various nationalist ideas, differing from them by a comprehensive, integral scientific analysis of predominantly archaeological data. At present, however, when theoretical and factual bases of historical and ethnological research have considerably expanded, a number of conflicting issues have arisen in the framework of this concept, which, therefore, require new approaches to their solution.

  18. Laser Based Phosphor Converted Solid State White Light Emitters

    Science.gov (United States)

    Cantore, Michael

    Artificial lighting and as a consequence the ability to be productive when the sun does not shine may be a profound achievement in society that is largely taken for granted. As concerns arise due to our dependence on energy sources with finite lifespan or environmentally negative effects, efforts to reduce energy consumption and create clean renewable alternatives has become highly valued. In the scope of artificial lighting, the use of incandescent lamps has shifted to more efficient light sources. Fluorescent lighting made the first big gains in efficiency over incandescent lamps with peak efficiency for mature designs reaching luminous efficacy of approximately 90 lm/W; more than three times as efficient as an incandescent lamp. Lamps based on light emitting diodes (LEDs) which can produce light at even greater efficiency, color quality and without the potential for hazardous chemical release from lamp failure. There is a significant challenge with LED based light sources. Their peak efficiency occurs at low current densities and then droops as the current density increases. Laser diodes (LDs) do not suffer from decreasing efficiency due to increased current. An alternative solid state light source using LDs has potential to make further gains in efficiency as well as allow novel illuminant designs which may be impractical or even impossible even with LED or other conventional sources. While similar to LEDS, the use of LDs does present new challenges largely due to the increased optical power density which must be accommodated in optics and phosphor materials. Single crystal YAG:Ce has been shown to be capable of enduring this more extreme operating environment while retaining the optical and fluorescing qualities desired for use as a wavelength converter in phosphor converted LD based white emitting systems. The incorporation of this single crystal phosphor in a system with a commercial laser diode with peak wall plug efficiency of 31% resulted in emission of

  19. Theoretical bases and possibilities of program BRASIER for experimental data fitting and management

    International Nuclear Information System (INIS)

    Quintero, B.; Santos, J.; Garcia Yip, F.; Lopez, I.

    1992-01-01

    In the paper the theoretical bases and primary possibilities of the program BRASIER are shown. It was performed for the management and fitting of experimental data. Relevant characteristics are: Utilization of several regression methods, errors treatment, P oint-Drop Technique , multidimensional fitting, friendly interactivity, graphical possibilities and file management. The fact of using various regression methods has resulted in greater convergence possibility with respect to other similar programs that use an unique algorithm

  20. A quantum theoretical study of reactions of methyldiazonium ion with DNA base pairs

    International Nuclear Information System (INIS)

    Shukla, P.K.; Ganapathy, Vinay; Mishra, P.C.

    2011-01-01

    Graphical abstract: Reactions of methyldiazonium ion at the different sites of the DNA bases in the Watson-Crick GC and AT base pairs were investigated employing density functional and second order Moller-Plesset (MP2) perturbation theories. Display Omitted Highlights: → Methylation of the DNA bases is important as it can cause mutation and cancer. → Methylation reactions of the GC and AT base pairs with CH 3 N 2 + were not studied earlier theoretically. → Experimental observations have been explained using theoretical methods. - Abstract: Methylation of the DNA bases in the Watson-Crick GC and AT base pairs by the methyldiazonium ion was investigated employing density functional and second order Moller-Plesset (MP2) perturbation theories. Methylation at the N3, N7 and O6 sites of guanine, N1, N3 and N7 sites of adenine, O2 and N3 sites of cytosine and the O2 and O4 sites of thymine were considered. The computed reactivities for methylation follow the order N7(guanine) > N3(adenine) > O6(guanine) which is in agreement with experiment. The base pairing in DNA is found to play a significant role with regard to reactivities of the different sites.

  1. Broadband cross-polarization-based heteronuclear dipolar recoupling for structural and dynamic NMR studies of rigid and soft solids

    International Nuclear Information System (INIS)

    Kharkov, B. B.; Chizhik, V. I.; Dvinskikh, S. V.

    2016-01-01

    Dipolar recoupling is an essential part of current solid-state NMR methodology for probing atomic-resolution structure and dynamics in solids and soft matter. Recently described magic-echo amplitude- and phase-modulated cross-polarization heteronuclear recoupling strategy aims at efficient and robust recoupling in the entire range of coupling constants both in rigid and highly dynamic molecules. In the present study, the properties of this recoupling technique are investigated by theoretical analysis, spin-dynamics simulation, and experimentally. The resonance conditions and the efficiency of suppressing the rf field errors are examined and compared to those for other recoupling sequences based on similar principles. The experimental data obtained in a variety of rigid and soft solids illustrate the scope of the method and corroborate the results of analytical and numerical calculations. The technique benefits from the dipolar resolution over a wider range of coupling constants compared to that in other state-of-the-art methods and thus is advantageous in studies of complex solids with a broad range of dynamic processes and molecular mobility degrees

  2. Theoretical thermal dosimetry produced by an annular phased array system in CT-based patient models

    International Nuclear Information System (INIS)

    Paulsen, K.D.; Strohbehn, J.W.; Lynch, D.R.

    1984-01-01

    Theoretical calculations for the specific absorption rate (SAR) and the resulting temperature distributions produced by an annular phased array (APA) type system are made. The finite element numerical method is used in the formulation of both the electromagnetic (EM) and the thermal boundary value problems. A number of detailed patient models based on CT-scan data from the pelvic, visceral, and thoracic regions are generated to stimulate a variety of tumor locations and surrounding normal tissues. The SAR values from the EM solution are input into the bioheat transfer equation, and steady-rate temperature distributions are calculated for a wide variety of blood flow rates. Based on theoretical modeling, the APA shows no preferential heating of superficial over deep-seated tumors. However, in most cases satisfactory thermal profiles (therapeutic volume near 60%) are obtained in all three regions of the human trunk only for tumors with little or no blood flow. Unsatisfactory temperature patterns (therapeutic volume <50%) are found for tumors with moderate to high perfusion rates. These theoretical calculations should aid the clinician in the evaluation of the effectiveness of APA type devices in heating tumors located in the trunk region

  3. Knowledge-based immunosuppressive therapy for kidney transplant patients--from theoretical model to clinical integration.

    Science.gov (United States)

    Seeling, Walter; Plischke, Max; de Bruin, Jeroen S; Schuh, Christian

    2015-01-01

    Immunosuppressive therapy is a risky necessity after a patient received a kidney transplant. To reduce risks, a knowledge-based system was developed that determines the right dosage of the immunosuppresive agent Tacrolimus. A theoretical model, to classify medication blood levels as well as medication adaptions, was created using data from almost 500 patients, and over 13.000 examinations. This model was then translated into an Arden Syntax knowledge base, and integrated directly into the hospital information system of the Vienna General Hospital. In this paper we give an overview of the construction and integration of such a system.

  4. Substituent effect on redox potential of nitrido technetium complexes with Schiff base ligand. Theoretical calculations

    International Nuclear Information System (INIS)

    Takayama, T.; Sekine, T.; Kudo, H.

    2003-01-01

    Theoretical calculations based on the density functional theory (DFT) were performed to understand the effect of substituents on the molecular and electronic structures of technetium nitrido complexes with salen type Schiff base ligands. Optimized structures of these complexes are square pyramidal. The electron density on a Tc atom of the complex with electron withdrawing substituents is lower than that of the complex with electron donating substituents. The HOMO energy is lower in the complex with electron withdrawing substituents than that in the complex with electron donating substituents. The charge on Tc atoms is a good measure that reflects the redox potential of [TcN(L)] complex. (author)

  5. Technoeconomy of different solid oxide fuel cell based hybrid cycle

    DEFF Research Database (Denmark)

    Rokni, Masoud

    2014-01-01

    Gas turbine, steam turbine and heat engine (Stirling engine) is used as bottoming cycle for a solid oxide fuel cell plant to compare different plants efficiencies, CO2 emissionsand plants cost in terms of $/kW. Each plant is then integrated with biomass gasification and finally six plants...

  6. Interactions between lanthanum gallate based solid electrolyte and ceria

    Energy Technology Data Exchange (ETDEWEB)

    Hrovat, M.; Ahmad-Khanlou, A.; Samardzija, Z.; Holc, J.

    1999-10-01

    Possible interactions between La{sub 0.9}Sr{sub 0.1}Ga{sub 0.8}Mg{sub 0.2}O{sub 2.85} and Gd{sub 2}O{sub 3}-doped CeO{sub 2} (solid electrolyte and anode binding materials, respectively, for solid oxide fuel cells (SOFC)) at 1,300 C were studied with diffusion couples and fired powder mixtures. The SrLaGa{sub 3}O{sub 7} compound was detected and its formation was attributed to the diffusion of La{sub 2}O{sub 3} from La{sub 0.9}Sr{sub 0.1}Ga{sub 0.8}Mg{sub 0.2}O{sub 2.85} into Ce{sub 1{minus}x}La{sub x}O{sub 2{minus}x/2} solid solution. As the resistivity of SrLaGa{sub 3}O{sub 7} is rather high, around 1 M{center_dot}ohm at 800 C, its presence in the solid electrolyte/anode interface could significantly increase the internal resistivity of an SOFC.

  7. Developments on HNF based high performance and green solid propellants

    NARCIS (Netherlands)

    Keizers, H.L.J.; Heijden, A.E.D.M. van der; Vliet, L.D. van; Welland-Veltmans, W.H.M.; Ciucci, A.

    2001-01-01

    Worldwide developments are ongoing to develop new and more energetic composite solid propellant formulations for space transportation and military applications. Since the 90's, the use of HNF as a new high performance oxidiser is being reinvestigated. Within European development programmes,

  8. Theoretical model and optimization of a novel temperature sensor based on quartz tuning fork resonators

    International Nuclear Information System (INIS)

    Xu Jun; You Bo; Li Xin; Cui Juan

    2007-01-01

    To accurately measure temperatures, a novel temperature sensor based on a quartz tuning fork resonator has been designed. The principle of the quartz tuning fork temperature sensor is that the resonant frequency of the quartz resonator changes with the variation in temperature. This type of tuning fork resonator has been designed with a new doubly rotated cut work at flexural vibration mode as temperature sensor. The characteristics of the temperature sensor were evaluated and the results sufficiently met the target of development for temperature sensor. The theoretical model for temperature sensing has been developed and built. The sensor structure was analysed by finite element method (FEM) and optimized, including tuning fork geometry, tine electrode pattern and the sensor's elements size. The performance curve of output versus measured temperature is given. The results from theoretical analysis and experiments indicate that the sensor's sensitivity can reach 60 ppm 0 C -1 with the measured temperature range varying from 0 to 100 0 C

  9. Principles and software realization of a multimedia course on theoretical electrical engineering based on enterprise technology

    Directory of Open Access Journals (Sweden)

    Penev Krasimir

    2003-01-01

    Full Text Available The Department of Theoretical Electrical Engineering (TEE of Technical University of Sofia has been developing interactive enterprise-technologies based course on Theoretical Electrical Engineering. One side of the project is the development of multimedia teaching modules for the core undergraduate electrical engineering courses (Circuit Theory and Electromagnetic Fields and the other side is the development of Software Architecture of the web site on which modules are deployed. Initial efforts have been directed at the development of multimedia modules for the subject Electrical Circuits and on developing the web site structure. The objective is to develop teaching materials that will enhance lectures and laboratory exercises and will allow computerized examinations on the subject. This article outlines the framework used to develop the web site structure, the Circuit Theory teaching modules, and the strategy of their use as teaching tool.

  10. Theoretical Bound of CRLB for Energy Efficient Technique of RSS-Based Factor Graph Geolocation

    Science.gov (United States)

    Kahar Aziz, Muhammad Reza; Heriansyah; Saputra, EfaMaydhona; Musa, Ardiansyah

    2018-03-01

    To support the increase of wireless geolocation development as the key of the technology in the future, this paper proposes theoretical bound derivation, i.e., Cramer Rao lower bound (CRLB) for energy efficient of received signal strength (RSS)-based factor graph wireless geolocation technique. The theoretical bound derivation is crucially important to evaluate whether the energy efficient technique of RSS-based factor graph wireless geolocation is effective as well as to open the opportunity to further innovation of the technique. The CRLB is derived in this paper by using the Fisher information matrix (FIM) of the main formula of the RSS-based factor graph geolocation technique, which is lied on the Jacobian matrix. The simulation result shows that the derived CRLB has the highest accuracy as a bound shown by its lowest root mean squared error (RMSE) curve compared to the RMSE curve of the RSS-based factor graph geolocation technique. Hence, the derived CRLB becomes the lower bound for the efficient technique of RSS-based factor graph wireless geolocation.

  11. Experimental and theoretical investigation of Cr1-xScxN solid solutions for thermoelectrics

    DEFF Research Database (Denmark)

    Kerdsongpanya, Sit; Sun, Bo; Eriksson, Fredrik

    2016-01-01

    The ScN- and CrN-based transition-metal nitrides have recently emerged as a novel and unexpected class of materials for thermoelectrics. These materials constitute well-defined model systems for investigating mixing thermodynamics, phase stability, and band structure aiming for property tailoring......-factor improvement by Sc3d orbital delocalization on Cr3d electrons giving decreasing electrical resistivity, while localized Cr3d orbitals with a large DOS slope may yield an improved Seebeck coefficient. Sc-rich solid solutions show a large improvement in power factor compared to pure ScN, and all films have power...

  12. Theoretical Studies of Solid Nitromethane

    National Research Council Canada - National Science Library

    Sorescu, Dan

    2001-01-01

    .... The intermolecular potential used is of the Buckingham 6-exp form plus charge-charge Coulombic interactions and has been previously developed by us (Sorescu, D. C.; Rice, B. M.; Thompson, D. L. J: Phys. Chem. 1997, BlOl, 798...

  13. High-Efficiency Nitride-Based Solid-State Lighting

    Energy Technology Data Exchange (ETDEWEB)

    Paul T. Fini; Shuji Nakamura

    2005-07-30

    In this final technical progress report we summarize research accomplished during Department of Energy contract DE-FC26-01NT41203, entitled ''High-Efficiency Nitride-Based Solid-State Lighting''. Two teams, from the University of California at Santa Barbara (Principle Investigator: Dr. Shuji Nakamura) and the Lighting Research Center at Rensselaer Polytechnic Institute (led by Dr. N. Narendran), pursued the goals of this contract from thin film growth, characterization, and packaging/luminaire design standpoints. The UCSB team initially pursued the development of blue gallium nitride (GaN)-based vertical-cavity surface-emitting lasers, as well as ultraviolet GaN-based light emitting diodes (LEDs). In Year 2, the emphasis shifted to resonant-cavity light emitting diodes, also known as micro-cavity LEDs when extremely thin device cavities are fabricated. These devices have very directional emission and higher light extraction efficiency than conventional LEDs. Via the optimization of thin-film growth and refinement of device processing, we decreased the total cavity thickness to less than 1 {micro}m, such that micro-cavity effects were clearly observed and a light extraction efficiency of over 10% was reached. We also began the development of photonic crystals for increased light extraction, in particular for so-called ''guided modes'' which would otherwise propagate laterally in the device and be re-absorbed. Finally, we pursued the growth of smooth, high-quality nonpolar a-plane and m-plane GaN films, as well as blue light emitting diodes on these novel films. Initial nonpolar LEDs showed the expected behavior of negligible peak wavelength shift with increasing drive current. M-plane LEDs in particular show promise, as unpackaged devices had unsaturated optical output power of {approx} 3 mW at 200 mA drive current. The LRC's tasks were aimed at developing the subcomponents necessary for packaging UCSB's light

  14. Theoretical physics

    CERN Document Server

    Joos, Georg

    1986-01-01

    Among the finest, most comprehensive treatments of theoretical physics ever written, this classic volume comprises a superb introduction to the main branches of the discipline and offers solid grounding for further research in a variety of fields. Students will find no better one-volume coverage of so many essential topics; moreover, since its first publication, the book has been substantially revised and updated with additional material on Bessel functions, spherical harmonics, superconductivity, elastomers, and other subjects.The first four chapters review mathematical topics needed by theo

  15. Meta-Theoretical Contributions to the Constitution of a Model-Based Didactics of Science

    Science.gov (United States)

    Ariza, Yefrin; Lorenzano, Pablo; Adúriz-Bravo, Agustín

    2016-10-01

    There is nowadays consensus in the community of didactics of science (i.e. science education understood as an academic discipline) regarding the need to include the philosophy of science in didactical research, science teacher education, curriculum design, and the practice of science education in all educational levels. Some authors have identified an ever-increasing use of the concept of `theoretical model', stemming from the so-called semantic view of scientific theories. However, it can be recognised that, in didactics of science, there are over-simplified transpositions of the idea of model (and of other meta-theoretical ideas). In this sense, contemporary philosophy of science is often blurred or distorted in the science education literature. In this paper, we address the discussion around some meta-theoretical concepts that are introduced into didactics of science due to their perceived educational value. We argue for the existence of a `semantic family', and we characterise four different versions of semantic views existing within the family. In particular, we seek to contribute to establishing a model-based didactics of science mainly supported in this semantic family.

  16. Jet Fuel Based High Pressure Solid Oxide Fuel Cell System

    Science.gov (United States)

    Gummalla, Mallika (Inventor); Yamanis, Jean (Inventor); Olsommer, Benoit (Inventor); Dardas, Zissis (Inventor); Bayt, Robert (Inventor); Srinivasan, Hari (Inventor); Dasgupta, Arindam (Inventor); Hardin, Larry (Inventor)

    2015-01-01

    A power system for an aircraft includes a solid oxide fuel cell system which generates electric power for the aircraft and an exhaust stream; and a heat exchanger for transferring heat from the exhaust stream of the solid oxide fuel cell to a heat requiring system or component of the aircraft. The heat can be transferred to fuel for the primary engine of the aircraft. Further, the same fuel can be used to power both the primary engine and the SOFC. A heat exchanger is positioned to cool reformate before feeding to the fuel cell. SOFC exhaust is treated and used as inerting gas. Finally, oxidant to the SOFC can be obtained from the aircraft cabin, or exterior, or both.

  17. Carbon Powder Based Films on Traditional Solid Electrodes as an Alternative to Disposable Electrodes

    Czech Academy of Sciences Publication Activity Database

    Josypčuk, Bohdan; Barek, J.; Fojta, Miroslav

    2006-01-01

    Roč. 18, č. 11 (2006), s. 1126-1130 ISSN 1040-0397 R&D Projects: GA MPO 1H-PK/42; GA ČR GA203/03/0182; GA MŠk(CZ) LC06035 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z50040507 Keywords : voltammetry * solid electrodes * ink film * disposable sensor Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.444, year: 2006

  18. Theoretical and Empirical Analyses of an Improved Harmony Search Algorithm Based on Differential Mutation Operator

    Directory of Open Access Journals (Sweden)

    Longquan Yong

    2012-01-01

    Full Text Available Harmony search (HS method is an emerging metaheuristic optimization algorithm. In this paper, an improved harmony search method based on differential mutation operator (IHSDE is proposed to deal with the optimization problems. Since the population diversity plays an important role in the behavior of evolution algorithm, the aim of this paper is to calculate the expected population mean and variance of IHSDE from theoretical viewpoint. Numerical results, compared with the HSDE, NGHS, show that the IHSDE method has good convergence property over a test-suite of well-known benchmark functions.

  19. The neural mediators of kindness-based meditation: a theoretical model

    Directory of Open Access Journals (Sweden)

    Jennifer Streiffer Mascaro

    2015-02-01

    Full Text Available Although kindness-based contemplative practices are increasingly employed by clinicians and cognitive researchers to enhance prosocial emotions, social cognitive skills, and well-being, and as a tool to understand the basic workings of the social mind, we lack a coherent theoretical model with which to test the mechanisms by which kindness-based meditation may alter the brain and body. Here we link contemplative accounts of compassion and loving-kindness practices with research from social cognitive neuroscience and social psychology to generate predictions about how diverse practices may alter brain structure and function and related aspects of social cognition. Contingent on the nuances of the practice, kindness-based meditation may enhance the neural systems related to faster and more basic perceptual or motor simulation processes, simulation of another’s affective body state, slower and higher-level perspective-taking, modulatory processes such as emotion regulation and self/other discrimination, and combinations thereof. This theoretical model will be discussed alongside best practices for testing such a model and potential implications and applications of future work.

  20. Training-Based Interventions in Motor Rehabilitation after Stroke: Theoretical and Clinical Considerations

    Directory of Open Access Journals (Sweden)

    Annette Sterr

    2004-01-01

    Full Text Available Basic neuroscience research on brain plasticity, motor learning and recovery has stimulated new concepts in neurological rehabilitation. Combined with the development of set methodological standards in clinical outcome research, these findings have led to a double-paradigm shift in motor rehabilitation: (a the move towards evidence-based procedures for the assessment of clinical outcome & the employment of disablement models to anchor outcome parameters, and (b the introduction of practice-based concepts that are derived from testable models that specify treatment mechanisms. In this context, constraint-induced movement therapy (CIT has played a catalytic role in taking motor rehabilitation forward into the scientific arena. As a theoretically founded and hypothesis-driven intervention, CIT research focuses on two main issues. The first issue is the assessment of long-term clinical benefits in an increasing range of patient groups, and the second issue is the investigation of neuronal and behavioural treatment mechanisms and their interactive contribution to treatment success. These studies are mainly conducted in the research environment and will eventually lead to increased treatment benefits for patients in standard health care. However, gradual but presumably more immediate benefits for patients may be achieved by introducing and testing derivates of the CIT concept that are more compatible with current clinical practice. Here, we summarize the theoretical and empirical issues related to the translation of research-based CIT work into the clinical context of standard health care.

  1. The equivalence of information-theoretic and likelihood-based methods for neural dimensionality reduction.

    Directory of Open Access Journals (Sweden)

    Ross S Williamson

    2015-04-01

    Full Text Available Stimulus dimensionality-reduction methods in neuroscience seek to identify a low-dimensional space of stimulus features that affect a neuron's probability of spiking. One popular method, known as maximally informative dimensions (MID, uses an information-theoretic quantity known as "single-spike information" to identify this space. Here we examine MID from a model-based perspective. We show that MID is a maximum-likelihood estimator for the parameters of a linear-nonlinear-Poisson (LNP model, and that the empirical single-spike information corresponds to the normalized log-likelihood under a Poisson model. This equivalence implies that MID does not necessarily find maximally informative stimulus dimensions when spiking is not well described as Poisson. We provide several examples to illustrate this shortcoming, and derive a lower bound on the information lost when spiking is Bernoulli in discrete time bins. To overcome this limitation, we introduce model-based dimensionality reduction methods for neurons with non-Poisson firing statistics, and show that they can be framed equivalently in likelihood-based or information-theoretic terms. Finally, we show how to overcome practical limitations on the number of stimulus dimensions that MID can estimate by constraining the form of the non-parametric nonlinearity in an LNP model. We illustrate these methods with simulations and data from primate visual cortex.

  2. Patient centredness in integrated care: results of a qualitative study based on a systems theoretical framework

    Directory of Open Access Journals (Sweden)

    Daniel Lüdecke

    2014-11-01

    Full Text Available Introduction: Health care providers seek to improve patient-centred care. Due to fragmentation of services, this can only be achieved by establishing integrated care partnerships. The challenge is both to control costs while enhancing the quality of care and to coordinate this process in a setting with many organisations involved. The problem is to establish control mechanisms, which ensure sufficiently consideration of patient centredness. Theory and methods: Seventeen qualitative interviews have been conducted in hospitals of metropolitan areas in northern Germany. The documentary method, embedded into a systems theoretical framework, was used to describe and analyse the data and to provide an insight into the specific perception of organisational behaviour in integrated care. Results: The findings suggest that integrated care partnerships rely on networks based on professional autonomy in the context of reliability. The relationships of network partners are heavily based on informality. This correlates with a systems theoretical conception of organisations, which are assumed autonomous in their decision-making. Conclusion and discussion: Networks based on formal contracts may restrict professional autonomy and competition. Contractual bindings that suppress the competitive environment have negative consequences for patient-centred care. Drawbacks remain due to missing self-regulation of the network. To conclude, less regimentation of integrated care partnerships is recommended.

  3. Patient centredness in integrated care: results of a qualitative study based on a systems theoretical framework

    Directory of Open Access Journals (Sweden)

    Daniel Lüdecke

    2014-11-01

    Full Text Available Introduction: Health care providers seek to improve patient-centred care. Due to fragmentation of services, this can only be achieved by establishing integrated care partnerships. The challenge is both to control costs while enhancing the quality of care and to coordinate this process in a setting with many organisations involved. The problem is to establish control mechanisms, which ensure sufficiently consideration of patient centredness.Theory and methods: Seventeen qualitative interviews have been conducted in hospitals of metropolitan areas in northern Germany. The documentary method, embedded into a systems theoretical framework, was used to describe and analyse the data and to provide an insight into the specific perception of organisational behaviour in integrated care.Results: The findings suggest that integrated care partnerships rely on networks based on professional autonomy in the context of reliability. The relationships of network partners are heavily based on informality. This correlates with a systems theoretical conception of organisations, which are assumed autonomous in their decision-making.Conclusion and discussion: Networks based on formal contracts may restrict professional autonomy and competition. Contractual bindings that suppress the competitive environment have negative consequences for patient-centred care. Drawbacks remain due to missing self-regulation of the network. To conclude, less regimentation of integrated care partnerships is recommended.

  4. Theoretical analysis and experimental evaluation of a CsI(Tl) based electronic portal imaging system

    International Nuclear Information System (INIS)

    Sawant, Amit; Zeman, Herbert; Samant, Sanjiv; Lovhoiden, Gunnar; Weinberg, Brent; DiBianca, Frank

    2002-01-01

    This article discusses the design and analysis of a portal imaging system based on a thick transparent scintillator. A theoretical analysis using Monte Carlo simulation was performed to calculate the x-ray quantum detection efficiency (QDE), signal to noise ratio (SNR) and the zero frequency detective quantum efficiency [DQE(0)] of the system. A prototype electronic portal imaging device (EPID) was built, using a 12.7 mm thick, 20.32 cm diameter, CsI(Tl) scintillator, coupled to a liquid nitrogen cooled CCD TV camera. The system geometry of the prototype EPID was optimized to achieve high spatial resolution. The experimental evaluation of the prototype EPID involved the determination of contrast resolution, depth of focus, light scatter and mirror glare. Images of humanoid and contrast detail phantoms were acquired using the prototype EPID and were compared with those obtained using conventional and high contrast portal film and a commercial EPID. A theoretical analysis was also carried out for a proposed full field of view system using a large area, thinned CCD camera and a 12.7 mm thick CsI(Tl) crystal. Results indicate that this proposed design could achieve DQE(0) levels up to 11%, due to its order of magnitude higher QDE compared to phosphor screen-metal plate based EPID designs, as well as significantly higher light collection compared to conventional TV camera based systems

  5. Finite Element Analysis of Mechanical Characteristics of Dropped Eggs Based on Fluid-Solid Coupling Theory

    Directory of Open Access Journals (Sweden)

    Song Haiyan

    2017-01-01

    Full Text Available It is important to study the properties and mechanics of egg drop impacts in order to reduce egg loss during processing and logistics and to provide a basis for the protective packaging of egg products. In this paper, we present the results of our study of the effects of the structural parameters on the mechanical properties of an egg using a finite element model of the egg. Based on Fluid-Solid coupling theory, a finite element model of an egg was constructed using ADINA, a finite element calculation and analysis software package. To simplify the model, the internal fluid of the egg was considered to be a homogeneous substance. The egg drop impact was simulated by the coupling solution, and the feasibility of the model was verified by comparison with the experimental results of a drop test. In summary, the modeling scheme was shown to be feasible and the simulation results provide a theoretical basis for the optimum design of egg packaging and egg processing equipment.

  6. Theoretical study of solar combisystems based on bikini tanks and tank-in-tank stores

    DEFF Research Database (Denmark)

    Yazdanshenas, Eshagh; Furbo, Simon

    2012-01-01

    . Originality/value - Many different Solar Combisystem designs have been commercialized over the years. In the IEA-SHC Task 26, twenty one solar combisystems have been described and analyzed. Maybe the mantle tank approach also for solar combisystems can be used with advantage? This might be possible...... if the solar heating system is based on a so called bikini tank. Therefore the new developed solar combisystems based on bikini tanks is compared to the tank-in-tank solar combisystems to elucidate which one is suitable for three different houses with low energy heating demand, medium and high heating demand.......Purpose - Low flow bikini solar combisystems and high flow tank-in-tank solar combisystems have been studied theoretically. The aim of the paper is to study which of these two solar combisystem designs is suitable for different houses. The thermal performance of solar combisystems based on the two...

  7. Hurdles of CAR-T cell-based cancer immunotherapy directed against solid tumors.

    Science.gov (United States)

    Zhang, Bing-Lan; Qin, Di-Yuan; Mo, Ze-Ming; Li, Yi; Wei, Wei; Wang, Yong-Sheng; Wang, Wei; Wei, Yu-Quan

    2016-04-01

    Recent reports on the impressive efficacy of chimeric antigen receptor (CAR)-modified T cells against hematologic malignancies have inspired oncologists to extend these efforts for the treatment of solid tumors. Clinical trials of CAR-T-based cancer immunotherapy for solid tumors showed that the efficacies are not as remarkable as in the case of hematologic malignancies. There are several challenges that researchers must face when treating solid cancers with CAR-T cells, these include choosing an ideal target, promoting efficient trafficking and infiltration, overcoming the immunosuppressive microenvironment, and avoiding associated toxicity. In this review, we discuss the obstacles imposed by solid tumors on CAR-T cell-based immunotherapy and strategies adopted to improve the therapeutic potential of this approach. Continued investigations are necessary to improve therapeutic outcomes and decrease the adverse effects of CAR-T cell therapy in patients with solid malignancies in the future.

  8. Lanthanum Manganate Based Cathodes for Solid Oxide Fuel Cells

    DEFF Research Database (Denmark)

    Jørgensen, Mette Juhl

    Composite cathodes for solid oxide fuel cells were investigated using electrochemical impedance spectroscopy and scanning electron microscopy. The aim was to study the oxygen reduction process in the electrode in order to minimise the voltage drop in the cathode. The electrodes contained...... five processes were found to affect the impedance of LSM/YSZ composite electrodes. Two high frequency processes were ascribed to transport of oxide ions/oxygen intermediates across LSM/YSZ interfaces and through YSZ in the composite. Several competitive elementary reaction steps, which appear as one...

  9. Transport simulations TFTR: Theoretically-based transport models and current scaling

    International Nuclear Information System (INIS)

    Redi, M.H.; Cummings, J.C.; Bush, C.E.; Fredrickson, E.; Grek, B.; Hahm, T.S.; Hill, K.W.; Johnson, D.W.; Mansfield, D.K.; Park, H.; Scott, S.D.; Stratton, B.C.; Synakowski, E.J.; Tang, W.M.; Taylor, G.

    1991-12-01

    In order to study the microscopic physics underlying observed L-mode current scaling, 1-1/2-d BALDUR has been used to simulate density and temperature profiles for high and low current, neutral beam heated discharges on TFTR with several semi-empirical, theoretically-based models previously compared for TFTR, including several versions of trapped electron drift wave driven transport. Experiments at TFTR, JET and D3-D show that I p scaling of τ E does not arise from edge modes as previously thought, and is most likely to arise from nonlocal processes or from the I p -dependence of local plasma core transport. Consistent with this, it is found that strong current scaling does not arise from any of several edge models of resistive ballooning. Simulations with the profile consistent drift wave model and with a new model for toroidal collisionless trapped electron mode core transport in a multimode formalism, lead to strong current scaling of τ E for the L-mode cases on TFTR. None of the theoretically-based models succeeded in simulating the measured temperature and density profiles for both high and low current experiments

  10. Solid waste management based on cost-benefit analysis using the WAMED model

    Energy Technology Data Exchange (ETDEWEB)

    Mutavchi, Viacheslav

    2012-11-01

    Efficient waste management enables the protection of human health, reducing environmental pollution, saving of natural resources, and achieving sustainable and profitable management of energy. In many countries, the general guidelines for waste management are set by national or local waste management plans. Various models provide local authorities with decision-making tools in planning long-term waste management scenarios. This study aims at providing a special model framework for the evaluation of ecological-economic efficiency (ECO-EE) of waste management. This will serve as an information support tool for decision making by actors of a solid waste management (SWM) scheme, primarily at the municipal and regional levels. The objective of this study is to apply the waste management's efficient decision (WAMED) model along with the company statistical business tool for environmental recovery indicator (COSTBUSTER) model to SWM and municipal solid waste (MSW) schemes in general in order to evaluate and improve their ECO-EE. COSTBUSTER is a mathematical indicator for the size and extent of implementation costs of a certain SWM scheme, compared with the total size of the average financial budget of a SWM actor of a certain kind. In particular, WAMED is proposed for evaluating the suitability to invest in baling technology. Baling of solid waste is an emerging technology which is extensively used worldwide to temporarily store waste for either incineration or recovery of raw materials. The model for efficient use of resources for optimal production economy (the EUROPE model) is for the first time applied to emissions from baling facilities. It has been analysed how cost-benefit analysis (CBA) and full cost accounting (FCA) can facilitate environmental optimisation of SWM schemes. The effort in this work represents a continuation of such ambitions as an enlargement of the research area of CBAbased modelling within SWM. In the thesis, certain theoretical and economic

  11. MEMS-Based Solid Propellant Rocket Array Thruster

    Science.gov (United States)

    Tanaka, Shuji; Hosokawa, Ryuichiro; Tokudome, Shin-Ichiro; Hori, Keiichi; Saito, Hirobumi; Watanabe, Masashi; Esashi, Masayoshi

    The prototype of a solid propellant rocket array thruster for simple attitude control of a 10 kg class micro-spacecraft was completed and tested. The prototype has 10×10 φ0.8 mm solid propellant micro-rockets arrayed at a pitch of 1.2 mm on a 20×22 mm substrate. To realize such a dense array of micro-rockets, each ignition heater is powered from the backside of the thruster through an electrical feedthrough which passes along a propellant cylinder wall. Boron/potassium nitrate propellant (NAB) is used with/without lead rhodanide/potassium chlorate/nitrocellulose ignition aid (RK). Impulse thrust was measured by a pendulum method in air. Ignition required electric power of at least 3 4 W with RK and 4 6 W without RK. Measured impulse thrusts were from 2×10-5 Ns to 3×10-4 Ns after the calculation of compensation for air dumping.

  12. Mathematical Based Calculation of Drug Penetration Depth in Solid Tumors

    Directory of Open Access Journals (Sweden)

    Hamidreza Namazi

    2016-01-01

    Full Text Available Cancer is a class of diseases characterized by out-of-control cells’ growth which affect cells and make them damaged. Many treatment options for cancer exist. Chemotherapy as an important treatment option is the use of drugs to treat cancer. The anticancer drug travels to the tumor and then diffuses in it through capillaries. The diffusion of drugs in the solid tumor is limited by penetration depth which is different in case of different drugs and cancers. The computation of this depth is important as it helps physicians to investigate about treatment of infected tissue. Although many efforts have been made on studying and measuring drug penetration depth, less works have been done on computing this length from a mathematical point of view. In this paper, first we propose phase lagging model for diffusion of drug in the tumor. Then, using this model on one side and considering the classic diffusion on the other side, we compute the drug penetration depth in the solid tumor. This computed value of drug penetration depth is corroborated by comparison with the values measured by experiments.

  13. Theoretical and experimental studies on ionic currents in nanopore-based biosensors.

    Science.gov (United States)

    Liu, Lei; Li, Chu; Ma, Jian; Wu, Yingdong; Ni, Zhonghua; Chen, Yunfei

    2014-12-01

    Novel generation of analytical technology based on nanopores has provided possibilities to fabricate nanofluidic devices for low-cost DNA sequencing or rapid biosensing. In this paper, a simplified model was suggested to describe DNA molecule's translocation through a nanopore, and the internal potential, ion concentration, ionic flowing speed and ionic current in nanopores with different sizes were theoretically calculated and discussed on the basis of Poisson-Boltzmann equation, Navier-Stokes equation and Nernst-Planck equation by considering several important parameters, such as the applied voltage, the thickness and the electric potential distributions in nanopores. In this way, the basic ionic currents, the modulated ionic currents and the current drops induced by translocation were obtained, and the size effects of the nanopores were carefully compared and discussed based on the calculated results and experimental data, which indicated that nanopores with a size of 10 nm or so are more advantageous to achieve high quality ionic current signals in DNA sensing.

  14. Graph theoretical analysis and application of fMRI-based brain network in Alzheimer's disease

    Directory of Open Access Journals (Sweden)

    LIU Xue-na

    2012-08-01

    Full Text Available Alzheimer's disease (AD, a progressive neurodegenerative disease, is clinically characterized by impaired memory and many other cognitive functions. However, the pathophysiological mechanisms underlying the disease are not thoroughly understood. In recent years, using functional magnetic resonance imaging (fMRI as well as advanced graph theory based network analysis approach, several studies of patients with AD suggested abnormal topological organization in both global and regional properties of functional brain networks, specifically, as demonstrated by a loss of small-world network characteristics. These studies provide novel insights into the pathophysiological mechanisms of AD and could be helpful in developing imaging biomarkers for disease diagnosis. In this paper we introduce the essential concepts of complex brain networks theory, and review recent advances of the study on human functional brain networks in AD, especially focusing on the graph theoretical analysis of small-world network based on fMRI. We also propound the existent problems and research orientation.

  15. Theoretical study of the structure and reactivity of lanthanide and actinide based organometallic complexes

    International Nuclear Information System (INIS)

    Barros, N.

    2007-06-01

    In this PhD thesis, lanthanide and actinide based organometallic complexes are studied using quantum chemistry methods. In a first part, the catalytic properties of organo-lanthanide compounds are evaluated by studying two types of reactions: the catalytic hydro-functionalization of olefins and the polymerisation of polar monomers. The reaction mechanisms are theoretically determined and validated, and the influence of possible secondary non productive reactions is envisaged. A second part focuses on uranium-based complexes. Firstly, the electronic structure of uranium metallocenes is analysed. An analogy with the uranyl compounds is proposed. In a second chapter, two isoelectronic complexes of uranium IV are studied. After validating the use of DFT methods for describing the electronic structure and the reactivity of these compounds, it is shown that their reactivity difference can be related to a different nature of chemical bonding in these complexes. (author)

  16. Activity – based costing in sport organizations:Theoretical background & future prospects

    Directory of Open Access Journals (Sweden)

    PANAGIOTIS E. DIMITROPOULOS

    2007-01-01

    Full Text Available Costing systems in recent years have shown a significantdevelopment and activity-based costing (ABC specificallyhas been considered as a major contribution to cost management, particularly in service businesses. The sport sector is composed to a great extent of service functions, yet considerably less have been reported of the use of activity based costing to support cost management in sport organizations. Since the power of information becomes continuously crucial for the implementation of effective business administration, the traditional methods of cost measurementproved insufficient on this issue, leading to the invention ofABC. The aim of this paper is twofold. First of all we wantto present the main theoretical background of ABC and itssubstantiated benefits, and secondly to present some practical steps for the implementation of ABC in sport organizations.

  17. A theoretical global optimization method for vapor-compression refrigeration systems based on entransy theory

    International Nuclear Information System (INIS)

    Xu, Yun-Chao; Chen, Qun

    2013-01-01

    The vapor-compression refrigeration systems have been one of the essential energy conversion systems for humankind and exhausting huge amounts of energy nowadays. Surrounding the energy efficiency promotion of the systems, there are lots of effectual optimization methods but mainly relied on engineering experience and computer simulations rather than theoretical analysis due to the complex and vague physical essence. We attempt to propose a theoretical global optimization method based on in-depth physical analysis for the involved physical processes, i.e. heat transfer analysis for condenser and evaporator, through introducing the entransy theory and thermodynamic analysis for compressor and expansion valve. The integration of heat transfer and thermodynamic analyses forms the overall physical optimization model for the systems to describe the relation between all the unknown parameters and known conditions, which makes theoretical global optimization possible. With the aid of the mathematical conditional extremum solutions, an optimization equation group and the optimal configuration of all the unknown parameters are analytically obtained. Eventually, via the optimization of a typical vapor-compression refrigeration system with various working conditions to minimize the total heat transfer area of heat exchangers, the validity and superior of the newly proposed optimization method is proved. - Highlights: • A global optimization method for vapor-compression systems is proposed. • Integrating heat transfer and thermodynamic analyses forms the optimization model. • A mathematical relation between design parameters and requirements is derived. • Entransy dissipation is introduced into heat transfer analysis. • The validity of the method is proved via optimization of practical cases

  18. Calculating the Fee-Based Services of Library Institutions: Theoretical Foundations and Practical Challenges

    Directory of Open Access Journals (Sweden)

    Sysіuk Svitlana V.

    2017-05-01

    Full Text Available The article is aimed at highlighting features of the provision of the fee-based services by library institutions, identifying problems related to the legal and regulatory framework for their calculation, and the methods to implement this. The objective of the study is to develop recommendations to improve the calculation of the fee-based library services. The theoretical foundations have been systematized, the need to develop a Provision for the procedure of the fee-based services by library institutions has been substantiated. Such a Provision would protect library institution from errors in fixing the fee for a paid service and would be an informational source of its explicability. The appropriateness of applying the market pricing law based on demand and supply has been substantiated. The development and improvement of accounting and calculation, taking into consideration both industry-specific and market-based conditions, would optimize the costs and revenues generated by the provision of the fee-based services. In addition, the complex combination of calculation leverages with development of the system of internal accounting together with use of its methodology – provides another equally efficient way of improving the efficiency of library institutions’ activity.

  19. Measurements of Atomic Rayleigh Scattering Cross-Sections: A New Approach Based on Solid Angle Approximation and Geometrical Efficiency

    Science.gov (United States)

    Rao, D. V.; Takeda, T.; Itai, Y.; Akatsuka, T.; Seltzer, S. M.; Hubbell, J. H.; Cesareo, R.; Brunetti, A.; Gigante, G. E.

    Atomic Rayleigh scattering cross-sections for low, medium and high Z atoms are measured in vacuum using X-ray tube with a secondary target as an excitation source instead of radioisotopes. Monoenergetic Kα radiation emitted from the secondary target and monoenergetic radiation produced using two secondary targets with filters coupled to an X-ray tube are compared. The Kα radiation from the second target of the system is used to excite the sample. The background has been reduced considerably and the monochromacy is improved. Elastic scattering of Kα X-ray line energies of the secondary target by the sample is recorded with Hp Ge and Si (Li) detectors. A new approach is developed to estimate the solid angle approximation and geometrical efficiency for a system with experimental arrangement using X-ray tube and secondary target. The variation of the solid angle is studied by changing the radius and length of the collimators towards and away from the source and sample. From these values the variation of the total solid angle and geometrical efficiency is deduced and the optimum value is used for the experimental work. The efficiency is larger because the X-ray fluorescent source acts as a converter. Experimental results based on this system are compared with theoretical estimates and good agreement is observed in between them.

  20. Starch saccharification by carbon-based solid acid catalyst

    Science.gov (United States)

    Yamaguchi, Daizo; Hara, Michikazu

    2010-06-01

    The hydrolysis of cornstarch using a highly active solid acid catalyst, a carbon material bearing SO 3H, COOH and OH groups, was investigated at 353-393 K through an analysis of variance (ANOVA) and an artificial neural network (ANN). ANOVA revealed that reaction temperature and time are significant parameters for the catalytic hydrolysis of starch. The ANN model indicated that the reaction efficiency reaches a maximum at an optimal condition (water, 0.8-1.0 mL; starch, 0.3-0.4 g; catalyst, 0.3 g; reaction temperature, 373 K; reaction time, 3 h). The relationship between the reaction and these parameters is discussed on the basis of the reaction mechanism.

  1. Zn-based porous coordination solid as diclofenac sodium carrier

    Science.gov (United States)

    Lucena, Guilherme Nunes; Alves, Renata Carolina; Abuçafy, Marina Paiva; Chiavacci, Leila Aparecida; da Silva, Isabel Cristiane; Pavan, Fernando Rogério; Frem, Regina Célia Galvão

    2018-04-01

    Drug delivery systems produced with biocompatible components can be used to reduce adverse effects and improve therapy efficacy. Most of the carrier materials reported in the literature show poor drug loading and rapid release. However, porous hybrid solids, such as metal-organic frameworks, are well suited to serve as carriers for delivery and imaging applications. In this work, a luminescent and nontoxic porous Zn(II) coordination polymer with 4,4‧-biphenyl-dicarboxylic acid (BPDC) and adenine linkers (BioMOF-Zn) was synthesized by a solvothermal process and characterized by PXRD, TGA, SEM-FEG, and FTIR. Nitrogen adsorption measurements revealed the presence of micropores as well as mesopores in the framework after activation of the material. The blue-emitting BioMOF-Zn exhibited an outstanding loading capacity (1.72 g g-1) and satisfactory release capability (56% after two days) for diclofenac sodium.

  2. Enhanced solubility and bioavailability of sibutramine base by solid dispersion system with aqueous medium.

    Science.gov (United States)

    Li, Dong Xun; Jang, Ki-Young; Kang, Wonku; Bae, Kyoungjin; Lee, Mann Hyung; Oh, Yu-Kyoung; Jee, Jun-Pil; Park, Young-Joon; Oh, Dong Hoon; Seo, Youn Gee; Kim, Young Ran; Kim, Jong Oh; Woo, Jong Soo; Yong, Chul Soon; Choi, Han-Gon

    2010-01-01

    To develop a novel sibutramine base-loaded solid dispersion with improved solubility bioavailability, various solid dispersions were prepared with water, hydroxypropylmethyl cellulose (HPMC), poloxamer and citric acid using spray-drying technique. The effect of HPMC, poloxamer and citric acid on the aqueous solubility of sibutramine was investigated. The physicochemical properties of solid dispersion were investigated using scanning electron microscopy (SEM), differential scanning calorimetry (DSC) and X-ray powder diffraction. The dissolution and pharmacokinetics in rats of solid dispersion were evaluated compared to the sibutramine hydrochloride monohydrate-loaded commercial product (Reductil). The sibutramine base-loaded solid dispersion gave two type forms. Like conventional solid dispersion system, one type appeared as a spherical shape with smooth surface, as the carriers and drug with relatively low melting point were soluble in water and formed it. The other appeared as an irregular form with relatively rough surface. Unlike conventional solid dispersion system, this type changed no crystalline form of drug. Our results suggested that this type was formed by attaching hydrophilic carriers to the surface of drug without crystal change, resulting from changing the hydrophobic drug to hydrophilic form. The sibutramine-loaded solid dispersion at the weight ratio of sibutramine base/HPMC/poloxamer/citric acid of 5/3/3/0.2 gave the maximum drug solubility of about 3 mg/ml. Furthermore, it showed the similar plasma concentration, area under the curve (AUC) and C(max) of parent drug, metabolite I and II to the commercial product, indicating that it might give the similar drug efficacy compared to the sibutramine hydrochloride monohydrate-loaded commercial product in rats. Thus, this solid dispersion system would be useful to deliver poorly water-soluble sibutramine base with enhanced bioavailability.

  3. Energy-Tunable Sources of Entangled Photons: A Viable Concept for Solid-State-Based Quantum Relays

    Science.gov (United States)

    Trotta, Rinaldo; Martín-Sánchez, Javier; Daruka, Istvan; Ortix, Carmine; Rastelli, Armando

    2015-04-01

    We propose a new method of generating triggered entangled photon pairs with wavelength on demand. The method uses a microstructured semiconductor-piezoelectric device capable of dynamically reshaping the electronic properties of self-assembled quantum dots (QDs) via anisotropic strain engineering. Theoretical models based on k .p theory in combination with finite-element calculations show that the energy of the polarization-entangled photons emitted by QDs can be tuned in a range larger than 100 meV without affecting the degree of entanglement of the quantum source. These results pave the way towards the deterministic implementation of QD entanglement resources in all-electrically-controlled solid-state-based quantum relays.

  4. Metamaterial-based theoretical description of light scattering by metallic nano-hole array structures

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Mahi R. [Department of Physics and Astronomy, University of Western Ontario, London N6A 3K7 (Canada); Najiminaini, Mohamadreza; Carson, Jeffrey J. L. [Lawson Health Research Institute, St. Joseph' s Health Care, 268 Grosvenor Street, London N6A 4V2 (Canada); Department of Medical Biophysics, University of Western Ontario, London N6A 3K7 (Canada); Balakrishnan, Shankar [Department of Physics and Astronomy, University of Western Ontario, London N6A 3K7 (Canada); Lawson Health Research Institute, St. Joseph' s Health Care, 268 Grosvenor Street, London N6A 4V2 (Canada); Department of Medical Biophysics, University of Western Ontario, London N6A 3K7 (Canada)

    2015-05-14

    We have experimentally and theoretically investigated the light-matter interaction in metallic nano-hole array structures. The scattering cross section spectrum was measured for three samples each having a unique nano-hole array radius and periodicity. Each measured spectrum had several peaks due to surface plasmon polaritons. The dispersion relation and the effective dielectric constant of the structure were calculated using transmission line theory and Bloch's theorem. Using the effective dielectric constant and the transfer matrix method, the surface plasmon polariton energies were calculated and found to be quantized. Using these quantized energies, a Hamiltonian for the surface plasmon polaritons was written in the second quantized form. Working with the Hamiltonian, a theory of scattering cross section was developed based on the quantum scattering theory and Green's function method. For both theory and experiment, the location of the surface plasmon polariton spectral peaks was dependant on the array periodicity and radii of the nano-holes. Good agreement was observed between the experimental and theoretical results. It is proposed that the newly developed theory can be used to facilitate optimization of nanosensors for medical and engineering applications.

  5. Theoretical rationalization for reduced charge recombination in bulky carbazole-based sensitizers in solar cells.

    Science.gov (United States)

    Surakhot, Yaowarat; Laszlo, Viktor; Chitpakdee, Chirawat; Promarak, Vinich; Sudyoadsuk, Taweesak; Kungwan, Nawee; Kowalczyk, Tim; Irle, Stephan; Jungsuttiwong, Siriporn

    2017-05-05

    The search for greater efficiency in organic dye-sensitized solar cells (DSCs) and in their perovskite cousins is greatly aided by a more complete understanding of the spectral and morphological properties of the photoactive layer. This investigation resolves a discrepancy in the observed photoconversion efficiency (PCE) of two closely related DSCs based on carbazole-containing D-π-A organic sensitizers. Detailed theoretical characterization of the absorption spectra, dye adsorption on TiO 2 , and electronic couplings for charge separation and recombination permit a systematic determination of the origin of the difference in PCE. Although the two dyes produce similar spectral features, ground- and excited-state density functional theory (DFT) simulations reveal that the dye with the bulkier donor group adsorbs more strongly to TiO 2 , experiences limited π-π aggregation, and is more resistant to loss of excitation energy via charge recombination on the dye. The effects of conformational flexibility on absorption spectra and on the electronic coupling between the bright exciton and charge-transfer states are revealed to be substantial and are characterized through density-functional tight-binding (DFTB) molecular dynamics sampling. These simulations offer a mechanistic explanation for the superior open-circuit voltage and short-circuit current of the bulky-donor dye sensitizer and provide theoretical justification of an important design feature for the pursuit of greater photocurrent efficiency in DSCs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  6. A Game-theoretic Framework for Network Coding Based Device-to-Device Communications

    KAUST Repository

    Douik, Ahmed S.; Sorour, Sameh; Tembine, Hamidou; Al-Naffouri, Tareq Y.; Alouini, Mohamed-Slim

    2016-01-01

    This paper investigates the delay minimization problem for instantly decodable network coding (IDNC) based deviceto- device (D2D) communications. In D2D enabled systems, users cooperate to recover all their missing packets. The paper proposes a game theoretic framework as a tool for improving the distributed solution by overcoming the need for a central controller or additional signaling in the system. The session is modeled by self-interested players in a non-cooperative potential game. The utility functions are designed so as increasing individual payoff results in a collective behavior achieving both a desirable system performance in a shared network environment and the Nash equilibrium. Three games are developed whose first reduces the completion time, the second the maximum decoding delay and the third the sum decoding delay. The paper, further, improves the formulations by including a punishment policy upon collision occurrence so as to achieve the Nash bargaining solution. Learning algorithms are proposed for systems with complete and incomplete information, and for the imperfect feedback scenario. Numerical results suggest that the proposed game-theoretical formulation provides appreciable performance gain against the conventional point-to-multipoint (PMP), especially for reliable user-to-user channels.

  7. Feasibility of theoretical formulas on the anisotropy of shale based on laboratory measurement and error analysis

    Science.gov (United States)

    Xie, Jianyong; Di, Bangrang; Wei, Jianxin; Luan, Xinyuan; Ding, Pinbo

    2015-04-01

    This paper designs a total angle ultrasonic test method to measure the P-wave velocities (vp), vertically and horizontally polarized shear wave velocities (vsv and vsh) of all angles to the bedding plane on different kinds of strong anisotropic shale. Analysis has been made of the comparisons among the observations and corresponding calculated theoretical curves based on the varied vertical transversely isotropic (TI) medium theories, for which discussing the real similarity with the characterizations of the TI medium on the scope of dynamic behaviors, and further conclude a more accurate and precise theory from the varied theoretical formulas as well as its suitable range to characterize the strong anisotropy of shale. At a low phase angle (theta Berryman expressions provide a relatively much better agreement with the measured data for vp, vsv on shale. Also all of the three theories lead to more deviations in the approximation of the vsv than for the vp and vsh. Furthermore, we created synthetic comparative ideal physical models (from coarse bakelite, cambric bakelite, and paper bakelite) as supplementary models to natural shale, which are used to model shale with different anisotropy, to research the effects of the anisotropic parameters upon the applicability of the former optimal TI theories, especially for the vsv. We found the when the P-wave anisotropy, S-wave anisotropy ɛ, γ > 0.25, the Berrryman curve will be the best fit for the vp, vsv on shale.

  8. A Game-theoretic Framework for Network Coding Based Device-to-Device Communications

    KAUST Repository

    Douik, Ahmed

    2016-06-29

    This paper investigates the delay minimization problem for instantly decodable network coding (IDNC) based deviceto- device (D2D) communications. In D2D enabled systems, users cooperate to recover all their missing packets. The paper proposes a game theoretic framework as a tool for improving the distributed solution by overcoming the need for a central controller or additional signaling in the system. The session is modeled by self-interested players in a non-cooperative potential game. The utility functions are designed so as increasing individual payoff results in a collective behavior achieving both a desirable system performance in a shared network environment and the Nash equilibrium. Three games are developed whose first reduces the completion time, the second the maximum decoding delay and the third the sum decoding delay. The paper, further, improves the formulations by including a punishment policy upon collision occurrence so as to achieve the Nash bargaining solution. Learning algorithms are proposed for systems with complete and incomplete information, and for the imperfect feedback scenario. Numerical results suggest that the proposed game-theoretical formulation provides appreciable performance gain against the conventional point-to-multipoint (PMP), especially for reliable user-to-user channels.

  9. Theoretical and experimental determination of mass attenuation coefficients of lead-based ceramics and their comparison with simulation

    Directory of Open Access Journals (Sweden)

    Vejdani-Noghreiyan Alireza

    2016-01-01

    Full Text Available Mass attenuation coefficient of lead-based ceramics have been measured by experimental methods and compared with theoretical and Monte Carlo simulation results. Lead-based ceramics were prepared using mixed oxide method and the X-ray diffraction analysis was done to evaluate the crystal structure of the produced handmade ceramics. The experimental results show good agreement with theoretical and simulation results. However at two gamma ray energies, small differences between experimental and theoretical results have been observed. By adding other additives to ceramics and observing the changes in the shielding properties such as flexibility, one can synthesize and optimize ceramics as a neutron shield.

  10. Theoretical bases of project management in conditions of innovative economy based on fuzzy modeling

    Science.gov (United States)

    Beilin, I. L.; Khomenko, V. V.

    2018-05-01

    In recent years, more and more Russian enterprises (both private and public) are trying to organize their activities on the basis of modern scientific research in order to improve the management of economic processes. Business planning, financial and investment analysis, modern software products based on the latest scientific developments are introduced everywhere. At the same time, there is a growing demand for market research (both at the microeconomic and macroeconomic levels), for financial and general economic information.

  11. Analysis of theoretical security level of PDF Encryption mechanism based on X.509 certificates

    Directory of Open Access Journals (Sweden)

    Joanna Dmitruk

    2017-12-01

    Full Text Available PDF Encryption is a content security mechanism developed and used by Adobe in their products. In this paper, we have checked a theoretical security level of a variant that uses public key infrastructure and X.509 certificates. We have described a basis of this mechanism and we have performed a simple security analysis. Then, we have showed possible tweaks and security improvements. At the end, we have given some recommendations that can improve security of a content secured with PDF Encryption based on X.509 certificates. Keywords: DRM, cryptography, security level, PDF Encryption, Adobe, X.509

  12. The theoretical model of the school-based prevention programme Unplugged.

    Science.gov (United States)

    Vadrucci, Serena; Vigna-Taglianti, Federica D; van der Kreeft, Peer; Vassara, Maro; Scatigna, Maria; Faggiano, Fabrizio; Burkhart, Gregor

    2016-12-01

    Unplugged is a school-based prevention programme designed and tested in the EU-Dap trial. The programme consists of 12 units delivered by class teachers to adolescents 12-14 years old. It is a strongly interactive programme including a training of personal and social skills with a specific focus on normative beliefs. The aim of this work is to define the theoretical model of the program, the contribution of the theories to the units, and the targeted mediators. The programme integrates several theories: Social Learning, Social Norms, Health Belief, theory of Reasoned Action-Attitude, and Problem Behaviour theory. Every theory contributes to the development of the units' contents, with specific weights. Knowledge, risk perception, attitudes towards drugs, normative beliefs, critical and creative thinking, relationship skills, communication skills, assertiveness, refusal skills, ability to manage emotions and to cope with stress, empathy, problem solving and decision making skills are the targeted mediators of the program. © The Author(s) 2015.

  13. A Theoretical Analysis of the Mission Statement Based on the Axiological Approach

    Directory of Open Access Journals (Sweden)

    Marius-Costel EŞI

    2016-12-01

    Full Text Available The aim of this work is focused on a theoretical analysis of formulating the mission statement of business organizations in relation to the idea of the organizational axiological core. On one hand, we consider the CSR-Corporate Social Responsibility which, in our view, must be brought into direct connection both with the moral entrepreneurship (which should support the philosophical perspective of the statement of business organizations mission and the purely economic entrepreneurship based on profit maximization (which should support the pragmatic perspective. On the other hand, an analysis of the moral concepts which should underpin business is becoming fundamental, in our view, as far as the idea of the social specific value of the social entrepreneurship is evidenced. Therefore, our approach highlights a number of epistemic explanations in relation to the actual practice dimension.

  14. ANTI-CRISIS MANAGEMENT IN CONTEXT OF ITS THEORETICAL AND METHODOLOGICAL RESEARCH BASES

    Directory of Open Access Journals (Sweden)

    A. V. Trapitsyn

    2011-01-01

    Full Text Available Effective country and enterprise economic management determines survival of dozens thousand Russian enterprises under market economics conditions any time, but management on the basis of marketing elements gains particular importance during crises. Anti-crisis management is a complex preventive management model created and functioning to neutralize or mitigate crisis phenomena. Different anti-crisis management theoretical and practical concepts used in the world are discussed and compared along with the management research approaches. Described in the article is author’s approach to anti-crisis enterprise management based on the need for enterprise to study relations between certain marketing elements and project efficiency indices and to take them into account.

  15. Molecular Solid EOS based on Quasi-Harmonic Oscillator approximation for phonons

    Energy Technology Data Exchange (ETDEWEB)

    Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-09-02

    A complete equation of state (EOS) for a molecular solid is derived utilizing a Helmholtz free energy. Assuming that the solid is nonconducting, phonon excitations dominate the specific heat. Phonons are approximated as independent quasi-harmonic oscillators with vibrational frequencies depending on the specific volume. The model is suitable for calibrating an EOS based on isothermal compression data and infrared/Raman spectroscopy data from high pressure measurements utilizing a diamond anvil cell. In contrast to a Mie-Gruneisen EOS developed for an atomic solid, the specific heat and Gruneisen coefficient depend on both density and temperature.

  16. Zirconium oxide based ceramic solid electrolytes for oxygen detection

    International Nuclear Information System (INIS)

    Caproni, Erica

    2007-01-01

    Taking advantage of the high thermal shock resistance of zirconia-magnesia ceramics and the high oxide ion conductivity of zirconia-yttria ceramics, composites of these ceramics were prepared by mixing, pressing and sintering different relative concentrations of ZrO 2 : 8.6 mol% MgO and ZrO 2 : 3 mol% Y 2 O 3 solid electrolytes. Microstructural analysis of the composites was carried out by X-ray diffraction and scanning electron microscopy analyses. The thermal behavior was studied by dilatometric analysis. The electrical behavior was evaluated by the impedance spectroscopy technique. An experimental setup was designed for measurement the electrical signal generated as a function of the amount of oxygen at high temperatures. The main results show that these composites are partially stabilized (monoclinic, cubic and tetragonal) and the thermal behavior is similar to that of ZrO 2 : 8.6 mol% MgO materials used in disposable high temperature oxygen sensors. Moreover, the results of analysis of impedance spectroscopy show that the electrical conductivity of zirconia:magnesia is improved with zirconia-yttria addition and that the electrical signal depends on the amount of oxygen at 1000 deg C, showing that the ceramic composites can be used in oxygen sensors. (author)

  17. Single-photon sources based on single molecules in solids

    International Nuclear Information System (INIS)

    Moerner, W E

    2004-01-01

    Single molecules in suitable host crystals have been demonstrated to be useful single-photon emitters both at liquid-helium temperatures and at room temperature. The low-temperature source achieved controllable emission of single photons from a single terrylene molecule in p-terphenyl by an adiabatic rapid passage technique. In contrast with almost all other single-molecule systems, terrylene single molecules show extremely high photostability under continuous, high-intensity irradiation. A room-temperature source utilizing this material has been demonstrated, in which fast pumping into vibrational sidebands of the electronically excited state achieved efficient inversion of the emissive level. This source yielded a single-photon emission probability p(1) of 0.86 at a detected count rate near 300 000 photons s -1 , with very small probability of emission of more than one photon. Thus, single molecules in solids can be considered as contenders for applications of single-photon sources such as quantum key distribution

  18. Theoretical and numerical studies on the transport of transverse beam quality in plasma-based accelerators

    International Nuclear Information System (INIS)

    Mehrling, Timon Johannes

    2014-11-01

    This work examines effects, which impact the transverse quality of electron-beams in plasma-based accelerators, by means of theoretical and numerical methods. Plasma-based acceleration is a promising candidate for future particle accelerator technologies. In plasma-based acceleration, highly intense laser beams or high-current relativistic particle beams are focused into a plasma to excite plasma-waves with extreme transverse and longitudinal electric fields. The amplitude of these fields exceed with 10-100 GV/m the ones in today's radio-frequency accelerators by several orders of magnitude, hence, in principle allowing for accordingly shorter and cheaper accelerators based on plasma. Despite the tremendous progress in the recent decade, beams from plasma accelerators are not yet achieving the quality as demanded for pivotal applications of relativistic electron-beams, e.g. free-electron lasers (FELs).Studies within this work examine how the quality can be optimized in the production of the beams and preserved during the acceleration and transport to the interaction region. Such studies cannot be approached purely analytical but necessitate numerical methods, such as the Particle-In-Cell (PIC) method, which can model kinetic, electrodynamic and relativistic plasma phenomena. However, this method is computationally too expensive for parameter-scans in three-dimensional geometries. Hence, a quasi-static PIC code was developed in connection with this work, which is significantly more effective than the full PIC method for a class of problems in plasma-based acceleration.The evolution of the emittance of beams which are injected into plasma modules was studied in this work by means of theoretical and the above numerical methods. It was shown that the beam parameters need to be matched accurately into the focusing plasma-channel in order to allow for beam-quality preservation. This suggested that new extraction and injection-techniques are required in staged plasma

  19. Lanthanum manganate based cathodes for solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Juhl Joergensen, M.

    2001-07-01

    Composite cathodes for solid oxide fuel cells were investigated using electrochemical impedance spectroscopy and scanning electron microscopy. The aim was to study the oxygen reduction process in the electrode in order to minimise the voltage drop in the cathode. The electrodes contained a composite layer made from lanthanum strontium manganate (LSM) and yttria stabilised zirconia (YSZ) and a layer of pure LSM aimed for current collection. The performance of the composite electrodes was sensitive to microstructure and thickness. Further, the interface between the composite and the current collecting layer proved to affect the performance. In a durability study severe deg-radation of the composite electrodes was found when passing current through the electrode for 2000 hours at 1000 deg. C. This was ascribed to pore formation along the composite interfaces and densification of the composite and current collector microstructure. An evaluation of the measurement approach indicated that impedance spectroscopy is a very sensitive method. This affects the reproducibility, as small undesirable variations in for instance the microstructure from electrode to electrode may change the impedance. At least five processes were found to affect the impedance of LSM/YSZ composite electrodes. Two high frequency processes were ascribed to transport of oxide ions/oxygen intermediates across LSM/YSZ interfaces and through YSZ in the composite. Several competitive elementary reaction steps, which appear as one medium frequency process in the impedance spectra, were observed. A low frequency arc related to gas diffusion limitation in a stagnant gas layer above the composite structure was detected. Finally, an inductive process, assumed to be connected to an activation process involving segregates at the triple phase boundary between electrode, electrolyte and gas phase, was found. (au)

  20. Theoretical Analysis on Mechanical Deformation of Membrane-Based Photomask Blanks

    Science.gov (United States)

    Marumoto, Kenji; Aya, Sunao; Yabe, Hedeki; Okada, Tatsunori; Sumitani, Hiroaki

    2012-04-01

    Membrane-based photomask is used in proximity X-ray lithography including that in LIGA (Lithographie, Galvanoformung und Abformung) process, and near-field photolithography. In this article, out-of-plane deformation (OPD) and in-plane displacement (IPD) of membrane-based photomask blanks are theoretically analyzed to obtain the mask blanks with flat front surface and low stress absorber film. First, we derived the equations of OPD and IPD for the processing steps of membrane-based photomask such as film deposition, back-etching and bonding, using a theory of symmetrical bending of circular plates with a coaxial circular hole and that of deformation of cylinder under hydrostatic pressure. The validity of the equations was proved by comparing the calculation results with experimental ones. Using these equations, we investigated the relation between the geometry of the mask blanks and the distortions generally, and gave the criterion to attain the flat front surface. Moreover, the absorber stress-bias required to obtain zero-stress on finished mask blanks was also calculated and it has been found that only little stress-bias was required for adequate hole size of support plate.

  1. CAD-based Monte Carlo automatic modeling method based on primitive solid

    International Nuclear Information System (INIS)

    Wang, Dong; Song, Jing; Yu, Shengpeng; Long, Pengcheng; Wang, Yongliang

    2016-01-01

    Highlights: • We develop a method which bi-convert between CAD model and primitive solid. • This method was improved from convert method between CAD model and half space. • This method was test by ITER model and validated the correctness and efficiency. • This method was integrated in SuperMC which could model for SuperMC and Geant4. - Abstract: Monte Carlo method has been widely used in nuclear design and analysis, where geometries are described with primitive solids. However, it is time consuming and error prone to describe a primitive solid geometry, especially for a complicated model. To reuse the abundant existed CAD models and conveniently model with CAD modeling tools, an automatic modeling method for accurate prompt modeling between CAD model and primitive solid is needed. An automatic modeling method for Monte Carlo geometry described by primitive solid was developed which could bi-convert between CAD model and Monte Carlo geometry represented by primitive solids. While converting from CAD model to primitive solid model, the CAD model was decomposed into several convex solid sets, and then corresponding primitive solids were generated and exported. While converting from primitive solid model to the CAD model, the basic primitive solids were created and related operation was done. This method was integrated in the SuperMC and was benchmarked with ITER benchmark model. The correctness and efficiency of this method were demonstrated.

  2. Studies in solid state ionics

    International Nuclear Information System (INIS)

    Jakes, D.; Rosenkranz, J.

    1987-01-01

    Studies performed over 10 years by the high temperature chemistry group are reviewed. Attention was paid to different aspects of ionic solids from the point of view of practical as well as theoretical needs of nuclear technology. Thus ceramic fuel compound like uranates, urania-thoria system, solid electrolytes based on oxides and ionics transformations were studied under reactor irradiation. (author) 13 figs., 3 tabs., 46 refs

  3. A Rechargeable Li-Air Fuel Cell Battery Based on Garnet Solid Electrolytes.

    Science.gov (United States)

    Sun, Jiyang; Zhao, Ning; Li, Yiqiu; Guo, Xiangxin; Feng, Xuefei; Liu, Xiaosong; Liu, Zhi; Cui, Guanglei; Zheng, Hao; Gu, Lin; Li, Hong

    2017-01-24

    Non-aqueous Li-air batteries have been intensively studied in the past few years for their theoretically super-high energy density. However, they cannot operate properly in real air because they contain highly unstable and volatile electrolytes. Here, we report the fabrication of solid-state Li-air batteries using garnet (i.e., Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 , LLZTO) ceramic disks with high density and ionic conductivity as the electrolytes and composite cathodes consisting of garnet powder, Li salts (LiTFSI) and active carbon. These batteries run in real air based on the formation and decomposition at least partially of Li 2 CO 3 . Batteries with LiTFSI mixed with polyimide (PI:LiTFSI) as a binder show rechargeability at 200 °C with a specific capacity of 2184 mAh g -1 carbon at 20 μA cm -2 . Replacement of PI:LiTFSI with LiTFSI dissolved in polypropylene carbonate (PPC:LiTFSI) reduces interfacial resistance, and the resulting batteries show a greatly increased discharge capacity of approximately 20300 mAh g -1 carbon and cycle 50 times while maintaining a cutoff capacity of 1000 mAh g -1 carbon at 20 μA cm -2 and 80 °C. These results demonstrate that the use of LLZTO ceramic electrolytes enables operation of the Li-air battery in real air at medium temperatures, leading to a novel type of Li-air fuel cell battery for energy storage.

  4. Transport Properties Of PbI2 Doped Silver Oxysalt Based Amorphous Solid Electrolytes

    Science.gov (United States)

    Shrisanjaykumar Jayswal, Manishkumar

    Solid electrolytes are a class of materials that conduct electricity by means of motion of ions like Ag+, Na+, Li +, Cu+, H+, F-, O -2 etc. in solid phase. The host materials include crystalline, polycrystalline, glasses, polymers and composites. Ion conducting glasses are one of the most sought after solid electrolytes that are useful in various electrochemical applications like solid state batteries, gas sensors, supercapacitors, electrochromic devices, to name a few. Since the discovery of fast silver ion transport in silver oxyhalide glasses at the end of the 1960s, many glasses showing large ionic conductivity up to 10-4 10-2 S/cm at room temperature have been developed, chiefly silver and copper ion conductors. The silver ion conducting glasses owe their high ionic conductivity mainly to stabilized alpha-AgI. AgI, as we know, undergoes a structural phase transition from wurtzite (beta phase) at room temperature to body centered cubic (alpha phase) structure at temperatures higher than 146 °C. The alpha-AgI possesses approximately six order of higher ionic conductivity than beta-AgI. The high ionic conductivity of alpha-AgI is attributed to its molten sublattice type of structure, which facilitates easy Ag+ ion migration, like a liquid. And hence, several attempts have been made to stabilize it at room temperature in crystalline as well as non-crystalline hosts like oxide and non-oxide glasses. Recently, in order to stabilize AgI in glasses, instead of directly doping it, indirect routes have also been explored. Where, a metal iodide salt along with silver oxide or silver phosphate is taken and an exchange reaction permitted by Hard and Soft, Acid and Base (HSAB) principle occurs between the two and AgI and metal oxide form in the glass forming melt. Work done in the present thesis has been organized in seven chapters as follows: Chapter 1: A review and background information of different solid electrolyte materials and their development is presented. Along

  5. Synthesis of Dimethyl Glutarate from Cyclobutanone and Dimethyl Carbonate over Solid Base Catalysts

    International Nuclear Information System (INIS)

    Zhi, Chen; Dudu, Wu

    2012-01-01

    A facile route for the synthesis of dimethyl glutarate (DMG) from cyclobutanone and dimethyl carbonate (DMC) in the presence of solid base catalysts has been developed. It was found that the intermediate carbomethoxycyclobutanone (CMCB) was produced from cyclobutanone with DMC in the first step, and then CMCB was further converted to DMG by reacting with a methoxide group. The role of the basic catalysts can be mainly ascribed to the activation of cyclobutanone via the abstraction of a proton in the α-position by base sites, and solid bases with moderate strength, such as MgO, favor the formation of DMG

  6. Synthesis of Dimethyl Glutarate from Cyclobutanone and Dimethyl Carbonate over Solid Base Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Zhi, Chen; Dudu, Wu [Guangdong Medical College, Dongguan (China)

    2012-06-15

    A facile route for the synthesis of dimethyl glutarate (DMG) from cyclobutanone and dimethyl carbonate (DMC) in the presence of solid base catalysts has been developed. It was found that the intermediate carbomethoxycyclobutanone (CMCB) was produced from cyclobutanone with DMC in the first step, and then CMCB was further converted to DMG by reacting with a methoxide group. The role of the basic catalysts can be mainly ascribed to the activation of cyclobutanone via the abstraction of a proton in the {alpha}-position by base sites, and solid bases with moderate strength, such as MgO, favor the formation of DMG

  7. Recent Application of Solid Phase Based Techniques for Extraction and Preconcentration of Cyanotoxins in Environmental Matrices.

    Science.gov (United States)

    Mashile, Geaneth Pertunia; Nomngongo, Philiswa N

    2017-03-04

    Cyanotoxins are toxic and are found in eutrophic, municipal, and residential water supplies. For this reason, their occurrence in drinking water systems has become a global concern. Therefore, monitoring, control, risk assessment, and prevention of these contaminants in the environmental bodies are important subjects associated with public health. Thus, rapid, sensitive, selective, simple, and accurate analytical methods for the identification and determination of cyanotoxins are required. In this paper, the sampling methodologies and applications of solid phase-based sample preparation methods for the determination of cyanotoxins in environmental matrices are reviewed. The sample preparation techniques mainly include solid phase micro-extraction (SPME), solid phase extraction (SPE), and solid phase adsorption toxin tracking technology (SPATT). In addition, advantages and disadvantages and future prospects of these methods have been discussed.

  8. Solid tumors after chemotherapy or surgery for testicular nonseminoma: a population-based study.

    Science.gov (United States)

    Fung, Chunkit; Fossa, Sophie D; Milano, Michael T; Oldenburg, Jan; Travis, Lois B

    2013-10-20

    Increased risks of solid tumors after older radiotherapy strategies for testicular cancer (TC) are well established. Few population-based studies, however, focus on solid cancer risk among survivors of TC managed with nonradiotherapy approaches. We quantified the site-specific risk of solid cancers among testicular nonseminoma patients treated in the modern era of cisplatin-based chemotherapy, without radiotherapy. Standardized incidence ratios (SIRs) for solid tumors were calculated for 12,691 patients with testicular nonseminoma reported to the population-based Surveillance, Epidemiology, and End Results program (1980 to 2008) and treated initially with either chemotherapy (n = 6,013) or surgery (n = 6,678) without radiotherapy. Patients accrued 116,073 person-years of follow-up. Two hundred ten second solid cancers were observed. No increased risk followed surgery alone (SIR, 0.93; 95% CI, 0.76 to 1.14; n = 99 solid cancers), whereas significantly increased 40% excesses (SIR, 1.43; 95% CI, 1.18 to 1.73; n = 111 solid cancers) occurred after chemotherapy. Increased risks of solid cancers after chemotherapy were observed in most follow-up periods (median latency, 12.5 years), including more than 20 years after treatment (SIR, 1.54; 95% CI, 0.96 to 2.33); significantly increased three- to seven-fold risks occurred for cancers of the kidney (SIR, 3.37; 95% CI, 1.79 to 5.77), thyroid (SIR, 4.40; 95% CI, 2.19 to 7.88), and soft tissue (SIR, 7.49; 95% CI, 3.59 to 13.78). To our knowledge, this is the first large population-based series reporting significantly increased risks of solid cancers among patients with testicular nonseminoma treated in the modern era of cisplatin-based chemotherapy. Subsequent analytic studies should focus on the evaluation of dose-response relationships, types of solid cancers, latency patterns, and interactions with other possible factors, including genetic susceptibility.

  9. Theoretical analysis of transcranial Hall-effect stimulation based on passive cable model

    International Nuclear Information System (INIS)

    Yuan Yi; Li Xiao-Li

    2015-01-01

    Transcranial Hall-effect stimulation (THS) is a new stimulation method in which an ultrasonic wave in a static magnetic field generates an electric field in an area of interest such as in the brain to modulate neuronal activities. However, the biophysical basis of simulating the neurons remains unknown. To address this problem, we perform a theoretical analysis based on a passive cable model to investigate the THS mechanism of neurons. Nerve tissues are conductive; an ultrasonic wave can move ions embedded in the tissue in a static magnetic field to generate an electric field (due to Lorentz force). In this study, a simulation model for an ultrasonically induced electric field in a static magnetic field is derived. Then, based on the passive cable model, the analytical solution for the voltage distribution in a nerve tissue is determined. The simulation results showthat THS can generate a voltage to stimulate neurons. Because the THS method possesses a higher spatial resolution and a deeper penetration depth, it shows promise as a tool for treating or rehabilitating neuropsychiatric disorders. (paper)

  10. Tetraphenylpyrimidine-Based AIEgens: Facile Preparation, Theoretical Investigation and Practical Application

    Directory of Open Access Journals (Sweden)

    Junkai Liu

    2017-10-01

    Full Text Available Aggregation-induced emission (AIE has become a hot research area and tremendous amounts of AIE-active luminogens (AIEgens have been generated. To further promote the development of AIE, new AIEgens are highly desirable. Herein, new AIEgens based on tetraphenylpyrimidine (TPPM are rationally designed according to the AIE mechanism of restriction of intramolecular motion, and facilely prepared under mild reaction conditions. The photophysical property of the generated TPPM, TPPM-4M and TPPM-4P are systematically investigated and the results show that they feature the aggregation-enhanced emission (AEE characteristics. Theoretical study shows the high-frequency bending vibrations in the central pyrimidine ring of TPPM derivatives dominate the nonradiative decay channels. Thanks to the AEE feature, their aggregates can be used to detect explosives with super-amplification quenching effects, and the sensing ability is higher than typical AIE-active tetraphenylethene. It is anticipated that TPPM derivatives could serve as a new type of widely used AIEgen based on their facile preparation and good thermo-, photo- and chemostabilities.

  11. Development of theoretical oxygen saturation calibration curve based on optical density ratio and optical simulation approach

    Science.gov (United States)

    Jumadi, Nur Anida; Beng, Gan Kok; Ali, Mohd Alauddin Mohd; Zahedi, Edmond; Morsin, Marlia

    2017-09-01

    The implementation of surface-based Monte Carlo simulation technique for oxygen saturation (SaO2) calibration curve estimation is demonstrated in this paper. Generally, the calibration curve is estimated either from the empirical study using animals as the subject of experiment or is derived from mathematical equations. However, the determination of calibration curve using animal is time consuming and requires expertise to conduct the experiment. Alternatively, an optical simulation technique has been used widely in the biomedical optics field due to its capability to exhibit the real tissue behavior. The mathematical relationship between optical density (OD) and optical density ratios (ODR) associated with SaO2 during systole and diastole is used as the basis of obtaining the theoretical calibration curve. The optical properties correspond to systolic and diastolic behaviors were applied to the tissue model to mimic the optical properties of the tissues. Based on the absorbed ray flux at detectors, the OD and ODR were successfully calculated. The simulation results of optical density ratio occurred at every 20 % interval of SaO2 is presented with maximum error of 2.17 % when comparing it with previous numerical simulation technique (MC model). The findings reveal the potential of the proposed method to be used for extended calibration curve study using other wavelength pair.

  12. Self-association and infrared spectres of some heterocyclic compounds based on pyrrol in solid state

    International Nuclear Information System (INIS)

    Mulloev, N.; Nurulloev, M.; Narziev, B.N.

    1993-01-01

    Present article is devoted to self-association and infrared spectres of some heterocyclic compounds based on pyrrol in solid state. The study results of self-association specified by molecular hydrogen bonds of some heterocyclic compounds based on pyrrol on spectres of infrared absorption of stretching vibrations of N-H group were considered.

  13. Nanobody-based cancer therapy of solid tumors

    NARCIS (Netherlands)

    Kijanka, Marta|info:eu-repo/dai/nl/328212792; Dorresteijn, Bram|info:eu-repo/dai/nl/31401635X; Oliveira, Sabrina; van Bergen en Henegouwen, Paul M P|info:eu-repo/dai/nl/071919481

    The development of tumor-targeted therapies using monoclonal antibodies has been successful during the last 30 years. Nevertheless, the efficacy of antibody-based therapy is still limited and further improvements are eagerly awaited. One of the promising novel developments that may overcome the

  14. Haptoglobin radioassay based on binding to solid-phase hemoglobin

    International Nuclear Information System (INIS)

    Hooper, D.C.; Reed, R.A.; Peacock, A.C.

    1979-01-01

    A specific and sensitive assay for haptoglobin based on binding to an easily prepred Sepharose-bound hemoglobin reagent is described. The assay is suitable for directly determining radiolabeled amino acid incorporation into haptoglobin in several liver cell systems in vitro and can be adapted to measure unlabeled free haptoglobin in plasma samples regardlss of the presence of the haptoglobin--hemoglobin complex

  15. Activated hydrotalcites as solid base catalysts in aldol condensations

    NARCIS (Netherlands)

    Roelofs, J.C.A.A.

    2001-01-01

    The development of new catalytic materials and routes to replace environmentally unacceptable processes in the fine chemical industry is emerging due to stringent legislation. Replacement of currently applied alkali bases in liquid-phase aldol condensations can result in diminishing of waste water

  16. Rotary Kiln Gasification of Solid Waste for Base Camps

    Science.gov (United States)

    2017-10-02

    design principles : • accept and process mixed, unsorted municipal waste materials • minimize process energy required through careful heat management ...ABSTRACT This project was undertaken to design and construct a battalion-scale waste-to-energy (WTE) system based on the principle of gasification...careful heat management and use of hydraulics, and (3) to integrate into contingency utility systems by using standard diesel generators. 15. SUBJECT TERMS

  17. Information-theoretic discrepancy based iterative reconstructions (IDIR) for polychromatic x-ray tomography

    International Nuclear Information System (INIS)

    Jang, Kwang Eun; Lee, Jongha; Sung, Younghun; Lee, SeongDeok

    2013-01-01

    Purpose: X-ray photons generated from a typical x-ray source for clinical applications exhibit a broad range of wavelengths, and the interactions between individual particles and biological substances depend on particles' energy levels. Most existing reconstruction methods for transmission tomography, however, neglect this polychromatic nature of measurements and rely on the monochromatic approximation. In this study, we developed a new family of iterative methods that incorporates the exact polychromatic model into tomographic image recovery, which improves the accuracy and quality of reconstruction.Methods: The generalized information-theoretic discrepancy (GID) was employed as a new metric for quantifying the distance between the measured and synthetic data. By using special features of the GID, the objective function for polychromatic reconstruction which contains a double integral over the wavelength and the trajectory of incident x-rays was simplified to a paraboloidal form without using the monochromatic approximation. More specifically, the original GID was replaced with a surrogate function with two auxiliary, energy-dependent variables. Subsequently, the alternating minimization technique was applied to solve the double minimization problem. Based on the optimization transfer principle, the objective function was further simplified to the paraboloidal equation, which leads to a closed-form update formula. Numerical experiments on the beam-hardening correction and material-selective reconstruction were conducted to compare and assess the performance of conventional methods and the proposed algorithms.Results: The authors found that the GID determines the distance between its two arguments in a flexible manner. In this study, three groups of GIDs with distinct data representations were considered. The authors demonstrated that one type of GIDs that comprises “raw” data can be viewed as an extension of existing statistical reconstructions; under a

  18. Effectiveness of a theoretically-based judgment and decision making intervention for adolescents.

    Science.gov (United States)

    Knight, Danica K; Dansereau, Donald F; Becan, Jennifer E; Rowan, Grace A; Flynn, Patrick M

    2015-05-01

    Although adolescents demonstrate capacity for rational decision making, their tendency to be impulsive, place emphasis on peers, and ignore potential consequences of their actions often translates into higher risk-taking including drug use, illegal activity, and physical harm. Problems with judgment and decision making contribute to risky behavior and are core issues for youth in treatment. Based on theoretical and empirical advances in cognitive science, the Treatment Readiness and Induction Program (TRIP) represents a curriculum-based decision making intervention that can be easily inserted into a variety of content-oriented modalities as well as administered as a separate therapeutic course. The current study examined the effectiveness of TRIP for promoting better judgment among 519 adolescents (37 % female; primarily Hispanic and Caucasian) in residential substance abuse treatment. Change over time in decision making and premeditation (i.e., thinking before acting) was compared among youth receiving standard operating practice (n = 281) versus those receiving standard practice plus TRIP (n = 238). Change in TRIP-specific content knowledge was examined among clients receiving TRIP. Premeditation improved among youth in both groups; TRIP clients showed greater improvement in decision making. TRIP clients also reported significant increases over time in self-awareness, positive-focused thinking (e.g., positive self-talk, goal setting), and recognition of the negative effects of drug use. While both genders showed significant improvement, males showed greater gains in metacognitive strategies (i.e., awareness of one's own cognitive process) and recognition of the negative effects of drug use. These results suggest that efforts to teach core thinking strategies and apply/practice them through independent intervention modules may benefit adolescents when used in conjunction with content-based programs designed to change problematic behaviors.

  19. Theoretical justification of space-mapping-based modeling utilizing a database and on-demand parameter extraction

    DEFF Research Database (Denmark)

    Koziel, Slawomir; Bandler, John W.; Madsen, Kaj

    2006-01-01

    the surrogate, we perform parameter extraction with weighting coefficients dependent on the distance between the point of interest and base points. We provide theoretical results showing that the new methodology can assure any accuracy that is required (provided the base set is dense enough), which...

  20. Theoretical Conversions of Different Hardness and Tensile Strength for Ductile Materials Based on Stress-Strain Curves

    Science.gov (United States)

    Chen, Hui; Cai, Li-Xun

    2018-04-01

    Based on the power-law stress-strain relation and equivalent energy principle, theoretical equations for converting between Brinell hardness (HB), Rockwell hardness (HR), and Vickers hardness (HV) were established. Combining the pre-existing relation between the tensile strength ( σ b ) and Hollomon parameters ( K, N), theoretical conversions between hardness (HB/HR/HV) and tensile strength ( σ b ) were obtained as well. In addition, to confirm the pre-existing σ b -( K, N) relation, a large number of uniaxial tensile tests were conducted in various ductile materials. Finally, to verify the theoretical conversions, plenty of statistical data listed in ASTM and ISO standards were adopted to test the robustness of the converting equations with various hardness and tensile strength. The results show that both hardness conversions and hardness-strength conversions calculated from the theoretical equations accord well with the standard data.

  1. Opto-mechatronics issues in solid immersion lens based near-field recording

    Science.gov (United States)

    Park, No-Cheol; Yoon, Yong-Joong; Lee, Yong-Hyun; Kim, Joong-Gon; Kim, Wan-Chin; Choi, Hyun; Lim, Seungho; Yang, Tae-Man; Choi, Moon-Ho; Yang, Hyunseok; Rhim, Yoon-Chul; Park, Young-Pil

    2007-06-01

    We analyzed the effects of an external shock on a collision problem in a solid immersion lens (SIL) based near-field recording (NFR) through a shock response analysis and proposed a possible solution to this problem with adopting a protector and safety mode. With this proposed method the collision between SIL and media can be avoided. We showed possible solution for contamination problem in SIL based NFR through a numerical air flow analysis. We also introduced possible solid immersion lens designs to increase the fabrication and assembly tolerances of an optical head with replicated lens. Potentially, these research results could advance NFR technology for commercial product.

  2. Recent progress in sulfide-based solid electrolytes for Li-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Liu, D., E-mail: liu.dongqiang@ireq.ca; Zhu, W.; Feng, Z.; Guerfi, A.; Vijh, A.; Zaghib, K.

    2016-11-15

    Graphical abstract: Li{sub 2}S-GeS{sub 2}-P{sub 2}S{sub 5} ternary diagram showing various sulphide compounds as solid electrolytes for Li-ion batteries. - Highlights: • Recent progress of sulfide-based solid electrolytes is described from point of view of structure. • Thio-LISICON type electrolytes exhibited high ionic conductivity due to their bcc sublattice and unique Li{sup +} diffusion pathway. • “Mixed-anion effect” is also an effective way to modify the energy landscape as well as the ionic conductivity. - Abstract: Sulfide-based ionic conductors are one of most attractive solid electrolyte candidates for all-solid-state batteries. In this review, recent progress of sulfide-based solid electrolytes is described from point of view of structure. In particular, lithium thio-phosphates such as Li{sub 7}P{sub 3}S{sub 11}, Li{sub 10}GeP{sub 2}S{sub 12} and Li{sub 11}Si{sub 2}PS{sub 12} etc. exhibit extremely high ionic conductivity of over 10{sup −2} S cm{sup −1} at room temperature, even higher than those of commercial organic carbonate electrolytes. The relationship between structure and unprecedented high ionic conductivity is delineated; some potential drawbacks of these electrolytes are also outlined.

  3. Polycarbonate-based polyurethane as a polymer electrolyte matrix for all-solid-state lithium batteries

    Science.gov (United States)

    Bao, Junjie; Shi, Gaojian; Tao, Can; Wang, Chao; Zhu, Chen; Cheng, Liang; Qian, Gang; Chen, Chunhua

    2018-06-01

    Four kinds of polycarbonate-based polyurethane with 8-14 wt% hard segments content are synthesized via reactions of polycarbonatediol, hexamethylene diisocyanate and diethylene glycol. The mechanical strength of the polyurethanes increase with the increase of hard segments content. Solid polymer electrolytes composed of the polycarbonate-based polyurethanes and LiTFSI exhibits fascinating characteristics for all-solid-state lithium batteries with a high ionic conductivity of 1.12 × 10-4 S cm-1 at 80 °C, an electrochemical stability window up to 4.5 V (vs. Li+/Li), excellent mechanical strength and superior interfacial stability against lithium metal. The all-solid-state batteries using LiFePO4 cathode can deliver high discharge capacities (161, 158, 134 and 93 mAh g-1 at varied rates of 0.2, 0.5, 1 and 2 C) at 80 °C and excellent cycling performance (with 91% capacity retention after 600 cycles at 1 C). All the results indicate that such a polyurethane-based solid polymer electrolyte can be a promising candidate for all-solid-state lithium batteries.

  4. Fee-based solid waste collection in economically developing countries: The case of Accra metropolis

    Directory of Open Access Journals (Sweden)

    Oduro-Appiah, K.

    2013-06-01

    Full Text Available Fee-based solid waste collection, a system that holds great promise to reducing the financial burden of solid waste management on the municipalities of developing countries is reviewed in this research study. It is to promote financial sustainability through partial or full cost sharing of solid waste collection services and intended to serve as a guide to policy makers and waste management authorities in Ghana and other countries with developing economies. Information through survey and questionnaires from residents across the socio-economic divide was collected to determine willingness and ability to pay for solid waste collection services. A critical assessment of the various capital and operational cost components that come into play in the collection process were considered and computed to determine the economic and social tariff that will be enough to offset the cost of collection, transportation and disposal of solid waste unto landfills. Residents of the metropolis have the ability and are willing to pay an economically affordable user charge of US$1.10 per household per month to offset and remove the financial burden of solid waste collection off the metropolitan assembly. Consistent and efficient collection service is recommended to ensure residents cooperation towards implementation of the system in Ghana.

  5. Grand Canonical adaptive resolution simulation for molecules with electrons: A theoretical framework based on physical consistency

    Science.gov (United States)

    Delle Site, Luigi

    2018-01-01

    A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic properties of the quantum region are calculated at constant electronic chemical potential equal to that of the corresponding (large) bulk system treated at full quantum level. Instead, the exchange of molecules between the quantum region and the classical environment occurs at the chemical potential of the macroscopic thermodynamic conditions. The Grand Canonical Adaptive Resolution Scheme is proposed for the treatment of the classical environment; such an approach can treat the exchange of molecules according to first principles of statistical mechanics and thermodynamic. The overall scheme is build on the basis of physical consistency, with the corresponding definition of numerical criteria of control of the approximations implied by the coupling. Given the wide range of expertise required, this work has the intention of providing guiding principles for the construction of a well founded computational protocol for actual multiscale simulations from the electronic to the mesoscopic scale.

  6. Experimental and theoretical investigation of vibrational spectra of coordination polymers based on TCE-TTF.

    Science.gov (United States)

    Olejniczak, Iwona; Lapiński, Andrzej; Swietlik, Roman; Olivier, Jean; Golhen, Stéphane; Ouahab, Lahcène

    2011-08-01

    The room-temperature infrared and Raman spectra of a series of four isostructural polymeric salts of 2,3,6,7-tetrakis(2-cyanoethylthio)-tetrathiafulvalene (TCE-TTF) with paramagnetic (Co(II), Mn(II)) and diamagnetic (Zn(II), Cd(II)) ions, together with BF(4)(-) or ClO(4)(-) anions are reported. Infrared and Raman-active modes are identified and assigned based on theoretical calculations for neutral and ionized TCE-TTF using density functional theory (DFT) methods. It is confirmed that the TCE-TTF molecules in all the materials investigated are fully ionized and interact in the crystal structure through cyanoethylthio groups. The vibrational modes related to the C=C stretching vibrations of TCE-TTF are analyzed assuming the occurrence of electron-molecular vibration coupling (EMV). The presence of the antisymmetric C=C dimeric mode provides evidence that charge transfer takes place between TCE-TTF molecules belonging to neighboring polymeric networks. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Triphenylamine-based fluorescent NLO phores with ICT characteristics: Solvatochromic and theoretical study

    Science.gov (United States)

    Katariya, Santosh B.; Patil, Dinesh; Rhyman, Lydia; Alswaidan, Ibrahim A.; Ramasami, Ponnadurai; Sekar, Nagaiyan

    2017-12-01

    The static first and second hyperpolarizability and their related properties were calculated for triphenylamine-based "push-pull" dyes using the B3LYP, CAM-B3LYP and BHHLYP functionals in conjunction with the 6-311+G(d,p) basis set. The electronic coupling for the electron transfer reaction of the dyes were calculated with the generalized Mulliken-Hush method. The results obtained were correlated with the polarizability parameter αCT , first hyperpolarizability parameter βCT, and the solvatochromic descriptor of 〈 γ〉 SD obtained by the solvatochromic method. The dyes studied show a high total first order hyperpolarizability (70-238 times) and second order hyperpolarizability (412-778 times) compared to urea. Among the three functionals, the CAM-B3LYP and BHHLYP functionals show hyperpolarizability values closer to experimental values. Experimental absorption and emission wavelengths measured for all the synthesized dyes are in good agreement with those predicted using the time-dependent density functional theory. The theoretical examination on non-linear optical properties was performed on the key parameters of polarizability and hyperpolarizability. A remarkable increase in non-linear optical response is observed on insertion of benzothiazole unit compared to benzimidazole unit.

  8. Margins of freedom: a field-theoretic approach to class-based health dispositions and practices.

    Science.gov (United States)

    Burnett, Patrick John; Veenstra, Gerry

    2017-09-01

    Pierre Bourdieu's theory of practice situates social practices in the relational interplay between experiential mental phenomena (habitus), resources (capitals) and objective social structures (fields). When applied to class-based practices in particular, the overarching field of power within which social classes are potentially made manifest is the primary field of interest. Applying relational statistical techniques to original survey data from Toronto and Vancouver, Canada, we investigated whether smoking, engaging in physical activity and consuming fruit and vegetables are dispersed in a three-dimensional field of power shaped by economic and cultural capitals and cultural dispositions and practices. We find that aesthetic dispositions and flexibility of developing and established dispositions are associated with positioning in the Canadian field of power and embedded in the logics of the health practices dispersed in the field. From this field-theoretic perspective, behavioural change requires the disruption of existing relations of harmony between the habitus of agents, the fields within which the practices are enacted and the capitals that inform and enforce the mores and regularities of the fields. The three-dimensional model can be explored at: http://relational-health.ca/margins-freedom. © 2017 Foundation for the Sociology of Health & Illness.

  9. Sequential game-theoretical analysis of safeguards systems based on the principle of material accountability

    International Nuclear Information System (INIS)

    Abel, V.; Avenhaus, R.

    1981-01-01

    The international control of fissile material used in nuclear technology is based on the principle of material accountability, i. e. on the difference between book inventory and physical inventory of a plant at the end of an inventory period. Since statistical measurement errors cannot be avoided, this comparison calls for methods of statistical hypotheses testing. Moreover, game-theoretical methods are needed as an analytical tool, since if the plant operator wilfully diverts material he will do so in an optimal manner. In this article, the optimal test strategy is determined for the case of two inventory periods. Two assumptions are made: The operation of the plant is stopped after the first inventory period if the test indicates wilful diversion, and the plant operator chooses the probability of wilfully diverting material for both inventory periods before the start of the first period. The assertions which depend on the payoff parameters and the substitutes which must be given in the case that the payoff parameters cannot be estimated are discussed. (orig.) [de

  10. Power Transmission Scheduling for Generators in a Deregulated Environment Based on a Game-Theoretic Approach

    Directory of Open Access Journals (Sweden)

    Bingtuan Gao

    2015-12-01

    Full Text Available In a deregulated environment of the power market, in order to lower their energy price and guarantee the stability of the power network, appropriate transmission lines have to be considered for electricity generators to sell their energy to the end users. This paper proposes a game-theoretic power transmission scheduling for multiple generators to lower their wheeling cost. Based on the embedded cost method, a wheeling cost model consisting of congestion cost, cost of losses and cost of transmission capacity is presented. By assuming each generator behaves in a selfish and rational way, the competition among the multiple generators is formulated as a non-cooperative game, where the players are the generators and the strategies are their daily schedules of power transmission. We will prove that there exists at least one pure-strategy Nash equilibrium of the formulated power transmission game. Moreover, a distributed algorithm will be provided to realize the optimization in terms of minimizing the wheeling cost. Finally, simulations were performed and discussed to verify the feasibility and effectiveness of the proposed non-cooperative game approach for the generators in a deregulated environment.

  11. A Game Theoretic Framework for Incentive-Based Models of Intrinsic Motivation in Artificial Systems

    Directory of Open Access Journals (Sweden)

    Kathryn Elizabeth Merrick

    2013-10-01

    Full Text Available An emerging body of research is focusing on understanding and building artificial systems that can achieve open-ended development influenced by intrinsic motivations. In particular, research in robotics and machine learning is yielding systems and algorithms with increasing capacity for self-directed learning and autonomy. Traditional software architectures and algorithms are being augmented with intrinsic motivations to drive cumulative acquisition of knowledge and skills. Intrinsic motivations have recently been considered in reinforcement learning, active learning and supervised learning settings among others. This paper considers game theory as a novel setting for intrinsic motivation. A game theoretic framework for intrinsic motivation is formulated by introducing the concept of optimally motivating incentive as a lens through which players perceive a game. Transformations of four well-known mixed-motive games are presented to demonstrate the perceived games when players’ optimally motivating incentive falls in three cases corresponding to strong power, affiliation and achievement motivation. We use agent-based simulations to demonstrate that players with different optimally motivating incentive act differently as a result of their altered perception of the game. We discuss the implications of these results both for modeling human behavior and for designing artificial agents or robots.

  12. A game theoretic framework for incentive-based models of intrinsic motivation in artificial systems.

    Science.gov (United States)

    Merrick, Kathryn E; Shafi, Kamran

    2013-01-01

    An emerging body of research is focusing on understanding and building artificial systems that can achieve open-ended development influenced by intrinsic motivations. In particular, research in robotics and machine learning is yielding systems and algorithms with increasing capacity for self-directed learning and autonomy. Traditional software architectures and algorithms are being augmented with intrinsic motivations to drive cumulative acquisition of knowledge and skills. Intrinsic motivations have recently been considered in reinforcement learning, active learning and supervised learning settings among others. This paper considers game theory as a novel setting for intrinsic motivation. A game theoretic framework for intrinsic motivation is formulated by introducing the concept of optimally motivating incentive as a lens through which players perceive a game. Transformations of four well-known mixed-motive games are presented to demonstrate the perceived games when players' optimally motivating incentive falls in three cases corresponding to strong power, affiliation and achievement motivation. We use agent-based simulations to demonstrate that players with different optimally motivating incentive act differently as a result of their altered perception of the game. We discuss the implications of these results both for modeling human behavior and for designing artificial agents or robots.

  13. Fluid, solid and fluid-structure interaction simulations on patient-based abdominal aortic aneurysm models.

    Science.gov (United States)

    Kelly, Sinead; O'Rourke, Malachy

    2012-04-01

    This article describes the use of fluid, solid and fluid-structure interaction simulations on three patient-based abdominal aortic aneurysm geometries. All simulations were carried out using OpenFOAM, which uses the finite volume method to solve both fluid and solid equations. Initially a fluid-only simulation was carried out on a single patient-based geometry and results from this simulation were compared with experimental results. There was good qualitative and quantitative agreement between the experimental and numerical results, suggesting that OpenFOAM is capable of predicting the main features of unsteady flow through a complex patient-based abdominal aortic aneurysm geometry. The intraluminal thrombus and arterial wall were then included, and solid stress and fluid-structure interaction simulations were performed on this, and two other patient-based abdominal aortic aneurysm geometries. It was found that the solid stress simulations resulted in an under-estimation of the maximum stress by up to 5.9% when compared with the fluid-structure interaction simulations. In the fluid-structure interaction simulations, flow induced pressure within the aneurysm was found to be up to 4.8% higher than the value of peak systolic pressure imposed in the solid stress simulations, which is likely to be the cause of the variation in the stress results. In comparing the results from the initial fluid-only simulation with results from the fluid-structure interaction simulation on the same patient, it was found that wall shear stress values varied by up to 35% between the two simulation methods. It was concluded that solid stress simulations are adequate to predict the maximum stress in an aneurysm wall, while fluid-structure interaction simulations should be performed if accurate prediction of the fluid wall shear stress is necessary. Therefore, the decision to perform fluid-structure interaction simulations should be based on the particular variables of interest in a given

  14. A fluorescent sensor based on dansyl-diethylenetriamine-thiourea conjugate: a through theoretical investigation

    International Nuclear Information System (INIS)

    Nguyen Khoa Hien; Nguyen Thi Ai Nhung; Duong Tuan Quang; Ho Quoc Dai; Nguyen Tien Trung

    2015-01-01

    A new dansyl-diethylenetriamine-thiourea conjugate (DT) for detection of Hg 2+ ions in aqueous solution has been theoretically designed and compared to our previously published results. The synthetic path, the optimized geometric structure and the characteristics of the DT were found by the theoretical calculations at the B3LYP/LanL2DZ level. Accordingly, the DT can react with Hg 2+ ion to form a product with quenched fluorescence. It is remarkable that the experimental results are in an excellent agreement with the theoretically evaluated data. (author)

  15. Experimental quantum ratchets based on solid state nanostructures

    International Nuclear Information System (INIS)

    Linke, H.

    1999-01-01

    Ratchets are spatially asymmetric devices in which particles can move on average in one direction in the absence of external net forces or gradients. This is made possible by the rectification of fluctuations, which also provide the energy for the process. Interest in the physics of ratchets was revived in recent years when it emerged that the ratchet principle may be a suitable physical model for 'molecular motors', which are central to many fundamental biological processes, such as intracellular transport or muscle contraction. Most ratchets studied so far have relied on classical effects, but recently 'quantum ratchets', involving quantum effects, have also been studied. In the present article it is pointed out that semiconductor or metal nanostructures are very suitable systems for the realisation of experimental quantum ratchets. Recent experimental studies of a quantum ratchet based on an asymmetric quantum dot are reviewed. Copyright (1999) CSIRO Australia

  16. Calcium and lanthanum solid base catalysts for transesterification

    Science.gov (United States)

    Ng, K. Y. Simon; Yan, Shuli; Salley, Steven O.

    2015-07-28

    In one aspect, a heterogeneous catalyst comprises calcium hydroxide and lanthanum hydroxide, wherein the catalyst has a specific surface area of more than about 10 m.sup.2/g. In another aspect, a heterogeneous catalyst comprises a calcium compound and a lanthanum compound, wherein the catalyst has a specific surface area of more than about 10 m.sup.2/g, and a total basicity of about 13.6 mmol/g. In further another aspect, a heterogeneous catalyst comprises calcium oxide and lanthanum oxide, wherein the catalyst has a specific surface area of more than about 10 m.sup.2/g. In still another aspect, a process for preparing a catalyst comprises introducing a base precipitant, a neutral precipitant, and an acid precipitant to a solution comprising a first metal ion and a second metal ion to form a precipitate. The process further comprises calcining the precipitate to provide the catalyst.

  17. Theoretical study of some aspects of the nucleo-bases reactivity: definition of new theoretical tools for the study of chemical reactivity

    International Nuclear Information System (INIS)

    Labet, V.

    2009-09-01

    In this work, three kinds of nucleo-base damages were studied from a theoretical point of view with quantum chemistry methods based on the density-functional theory: the spontaneous deamination of cytosine and its derivatives, the formation of tandem lesion induced by hydroxyl radicals in anaerobic medium and the formation of pyrimidic dimers under exposition to an UV radiation. The complementary use of quantitative static methods allowing the exploration of the potential energy surface of a chemical reaction, and of 'conceptual DFT' principles, leads to information concerning the mechanisms involved and to the rationalization of the differences in the nucleo-bases reactivity towards the formation of a same kind of damage. At the same time, a reflexion was undertaken on the asynchronous concerted mechanism concept, in terms of physical meaning of the transition state, respect of the Maximum Hardness Principle, and determination of the number of primitive processes involved. Finally, a new local reactivity index was developed, relevant to understand the reactivity of a molecular system in an excited state. (author)

  18. Theoretical predictions of the two-dimensional solid-state NMR spectra: a case study of the 13C-1H correlations in metergoline

    Czech Academy of Sciences Publication Activity Database

    Czernek, Jiří; Brus, Jiří

    2013-01-01

    Roč. 586, 24 October (2013), s. 56-60 ISSN 0009-2614 Institutional support: RVO:61389013 Keywords : NMR * shielding * metergoline Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.991, year: 2013

  19. Theoretical and numerical studies of TWR based on ESFR core design

    International Nuclear Information System (INIS)

    Zhang, Dalin; Chen, Xue-Nong; Flad, Michael; Rineiski, Andrei; Maschek, Werner

    2013-01-01

    Highlights: • The traveling wave reactor (TWR) is studied based on the core design of the European Sodium-cooled Fast Reactor (ESFR). • The conventional fuel shuffling technique is used to produce a continuous radial fuel movement. • A stationary self sustainable nuclear fission power can be established asymptotically by only loading natural or depleted uranium. • The multi-group deterministic neutronic code ERANOS is applied. - Abstract: This paper deals with the so-called traveling wave reactor (TWR) based on the core design of the European Sodium-cooled Fast Reactor (ESFR). The current concept of TWR is to use the conventional radial fuel shuffling technique to produce a continuous radial fuel movement so that a stationary self sustainable nuclear fission power can be established asymptotically by only loading fertile material consisting of natural or depleted uranium. The core design of ESFR loaded with metallic uranium fuel without considering the control mechanism is used as a practical application example. The theoretical studies focus mainly on qualitative feasibility analyses, i.e. to identify out in general essential parameter dependences of such a kind of reactor. The numerical studies are carried out more specifically on a certain core design. The multi-group deterministic neutronic code ERANOS with the JEFF3.1 data library is applied as a basic tool to perform the neutronics and burn-up calculations. The calculations are performed in a 2-D R-Z geometry, which is sufficient for the current core layout. Numerical results of radial fuel shuffling indicate that the asymptotic k eff parabolically varies with the shuffling period, while the burn-up increases linearly. Typical shuffling periods investigated in this study are in the range of 300–1000 days. The important parameters, e.g. k eff , the burn-up, the power peaking factor, and safety coefficients are calculated

  20. An ecological and theoretical deconstruction of a school-based obesity prevention program in Mexico.

    Science.gov (United States)

    Safdie, Margarita; Cargo, Margaret; Richard, Lucie; Lévesque, Lucie

    2014-08-10

    Ecological intervention programs are recommended to prevent overweight and obesity in children. The National Institute of Public Health (INSP) in Mexico implemented a successful ecological intervention program to promote healthy lifestyle behaviors in school age children. This study assessed the integration of ecological principles and Social Cognitive Theory (SCT) constructs in this effective school-based obesity prevention program implemented in 15 elementary schools in Mexico City. Two coders applied the Intervention Analysis Procedure (IAP) to "map" the program's integration of ecological principles. A checklist gauged the use of SCT theory in program activities. Thirty-two distinct intervention strategies were implemented in one setting (i.e., school) to engage four different target-groups (students, parents, school representatives, government) across two domains (Nutrition and Physical Activity). Overall, 47.5% of the strategies targeted the school infrastructure and/or personnel; 37.5% of strategies targeted a key political actor, the Public Education Secretariat while fewer strategies targeted parents (12.5%) and children (3%). More strategies were implemented in the Nutrition domain (69%) than Physical Activity (31%). The most frequently used SCT construct within both intervention domains was Reciprocal Determinism (e.g., where changes to the environment influence changes in behavior and these behavioral changes influence further changes to the environment); no significant differences were observed in the use of SCT constructs across domains. Findings provide insight into a promising combination of strategies and theoretical constructs that can be used to implement a school-based obesity prevention program. Strategies emphasized school-level infrastructure/personnel change and strong political engagement and were most commonly underpinned by Reciprocal Determinism for both Nutrition and Physical Activity.

  1. Silica-scavenging effects in ceria-based solid electrolytes

    Directory of Open Access Journals (Sweden)

    Ivanova, D.

    2008-08-01

    Full Text Available Composite materials based on gadolinium doped ceria (CGO with additions of silica, with both silica and lanthanum oxide, and with lanthanum silicate, were prepared by the conventional ceramic route, to assess the silica scavenging role of lanthanum oxide additions. Structural, microstructural and electrical characterization of these samples confirmed the formation of one apatite type lanthanum silicate-based phase from reaction of silica with lanthanum oxide. The formation of this phase occurred in parallel with a significant enhancement of the grain boundary conductivity of these composite materials. Further interaction between constituents, involving diffusion of La to CGO, and Ce and Gd to the apatite phase, had no significant consequences on the electrical performance of these materials. Overall, lanthanum oxide was shown to remove the siliceous phases from the grain boundaries of CGO.

    Se prepararon materiales compuestos basados en óxido de cerio dopado con gadolinio (TGO con adicciones de sílice, con sílice y óxido de lantano y silicato del lantano, mediante procesamiento cerámico convencional con objeto de confirmar el papel secuestrante de sílice de las adicciones. La caracterización estructural, microestructural y eléctrica de las muestras confirmó la formación de una fase tipo apatito basada en silicato de lantano a partir de la reacción de la sílice con el óxido de lantano. La formación de esta fase ocurre en paralelo con un incremento significativo de la conductividad a través del borde de grano de estos materiales. La interacción entre los constituyentes, incluyendo la difusión del La al CGO, y el Ce y el Gd a la fase apatito, no tiene consecuencias significativas sobre el comportamiento eléctrico de estos materiales. Resumiendo, el óxido de lantano es capaz de eliminar las fases silicias del borde de grano del CGO.

  2. Theoretical Issues

    Energy Technology Data Exchange (ETDEWEB)

    Marc Vanderhaeghen

    2007-04-01

    The theoretical issues in the interpretation of the precision measurements of the nucleon-to-Delta transition by means of electromagnetic probes are highlighted. The results of these measurements are confronted with the state-of-the-art calculations based on chiral effective-field theories (EFT), lattice QCD, large-Nc relations, perturbative QCD, and QCD-inspired models. The link of the nucleon-to-Delta form factors to generalized parton distributions (GPDs) is also discussed.

  3. Plasmonic crystal based solid substrate for biomedical application of SERS

    Science.gov (United States)

    Morasso, Carlo F.; Mehn, Dora; Picciolini, Silvia; Vanna, Renzo; Bedoni, Marzia; Gramatica, Furio; Pellacani, Paola; Frangolho, Ana; Marchesini, Gerardo; Valsesia, Andrea

    2014-02-01

    Surface Enhanced Raman Spectroscopy is a powerful analytical technique that combines the excellent chemical specificity of Raman spectroscopy with the good sensitivity provided by the enhancement of the signal observed when a molecule is located on (or very close to) the surface of suitable nanostructured metallic materials. The availability of cheap, reliable and easy to use SERS substrates would pave the road to the development of bioanalytical tests that can be used in clinical practice. SERS, in fact, is expected to provide not only higher sensitivity and specificity, but also the simultaneous and markedly improved detection of several targets at the same time with higher speed compared to the conventional analytical methods. Here, we present the SERS activity of 2-D plasmonic crystals made by polymeric pillars embedded in a gold matrix obtained through the combination of soft-lithography and plasma deposition techniques on a transparent substrates. The use of a transparent support material allowed us to perform SERS detection from support side opening the possibility to use these substrates in combination with microfluidic devices. In order to demonstrate the potentialities for bioanalytical applications, we used our SERS active gold surface to detect the oxidation product of apomorphine, a well-known drug molecule used in Parkinson's disease which has been demonstrated being difficult to study by traditional HPLC based approaches.

  4. Theoretical interpretation of the nuclear magnetic properties of solid 3He in the context of a four-spin exchange model

    International Nuclear Information System (INIS)

    Roger, Michel.

    1980-06-01

    The model presented in this thesis, with only two adjustable parameters, is alone able to account quantitatively for all the results described in chapter I and interpreted in chapter II. The development of this model was based originally on two essential ideas: - the simple model given in introduction suggests that in a hard-sphere quantum solid, three- and four-particle exchanges may be as important and even more favourable than two-atom exchanges. - By accounting for four-spin exchange terms in the Hamiltonian of the system, fourth power terms of the order parameter (polarisation) liable to give first-order transitions are introduced into the equation of free energy in a molecular field. On the basis of these two ideas the thesis is arranged in two parts: 1) Part one (ch. III to VIII) analyses the consequences, from the viewpoint of magnetic and thermodynamic properties, of a phenomenological Hamiltonian including four-spin exchanges. 2) The aim of part two is to estimate from microscopic equations the hierarchy amongst 2, 3 and 4-particle exchanges. A new approach, due to J.M. Delrieu, is proposed for a realistic wave function approximation accounting for the geometric correlations between hard cores. Reasons are given to justify the existence of a strong four-particle exchange in body-centred cubic 3 He. In a compact hexagonal lattice on the other hand the three-particle exchange is shown to be predominant. However three-particle exchanges promote ferromagnetism, so an ordered ferromagnetic phase is foreseen for compact hexagonal 3 He. A crucial test for our model would be to measure the sign of the Curie-Weiss constant in c.h. 3 He [fr

  5. Effective Mechanical Property Estimation of Composite Solid Propellants Based on VCFEM

    Directory of Open Access Journals (Sweden)

    Liu-Lei Shen

    2018-01-01

    Full Text Available A solid rocket motor is one of the critical components of solid missiles, and its life and reliability mostly depend on the mechanical behavior of a composite solid propellant (CSP. Effective mechanical properties are critical material constants to analyze the structural integrity of propellant grain. They are estimated by a numerical method that combines the Voronoi cell finite element method (VCFEM and the homogenization method in the present paper. The correctness of this combined method has been validated by comparing with a standard finite element method and conventional theoretical models. The effective modulus and the effective Poisson’s ratio of a CSP varying with volume fraction and component material properties are estimated. The result indicates that the variations of the volume fraction of inclusions and the properties of the matrix have obvious influences on the effective mechanical properties of a CSP. The microscopic numerical analysis method proposed in this paper can also be used to provide references for the design and the analysis of other large volume fraction composite materials.

  6. Synthesis, characterization, crystal structure and theoretical studies of new chiral Schiff base (E)-4-hydroxy[(1-phenylethyl)iminomethyl]benzyne

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Gholinejad, M.; Rad, S.M.; Grivani, G.; Fejfarová, Karla; Dušek, Michal

    2015-01-01

    Roč. 41, č. 3 (2015), 1635-1645 ISSN 0922-6168 R&D Projects: GA ČR(CZ) GC202/07/J007 Institutional support: RVO:68378271 Keywords : Schiff base * crystal structure * DFT calculation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.833, year: 2015

  7. Experimental and theoretical study on the cooperative interaction of the ethanolammonium cation with a hexaarylbenzene-based receptor

    Czech Academy of Sciences Publication Activity Database

    Makrlík, E.; Toman, Petr; Vaňura, P.; Rathore, R.

    2012-01-01

    Roč. 406, 8 October (2012), s. 86-90 ISSN 0301-0104 R&D Projects: GA ČR(CZ) GAP205/10/2280 Institutional research plan: CEZ:AV0Z40500505 Institutional support: RVO:61389013 Keywords : ethanolammonium cation * hexaarylbenzene-based receptor * complexation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.957, year: 2012

  8. The theoretical advantage of affinity membrane-based immunoadsorption therapy of hypercholesterolemia

    International Nuclear Information System (INIS)

    Green, P.; Odell, R.; Schindhelm, K.

    1996-01-01

    Full text: Therapy of hypercholesterolemia using immunoadsorption of Low Density Lipoprotein (LDL) to a gel substrate is a current clinical technique (Bosch T., Biomat., Art. Cells and Immob. Biotech, 20: 1165- 1169, 1992). Recently, Affinity Membranes have been proposed as an alternate substrate for immunoadsorption (Brandt S and others, Bio Technology, 6:779-782, 1988). Potentially, the overall rate of adsorption to a membrane may be faster than to a gel because of the different geometry (ibid). This implies that for the same conditions, a membrane-based device will have a higher Number of Transfer Units, more efficient adsorption and a smaller device size than a gel. To test this hypothesis, we calculated two key theoretical design parameters: Separation Factor, R, and the Number of Transfer Units, N, for a functioning clinical-scale affinity membrane device: R=K d /K d +C 0 . Kd: Equilibrium Dissociation Constant (M) and Co: Feed Concentration (M) N=k a Q max V m /F. ka: Intrinsic reaction rate constant (M -1 min -1 ), Qmax: Substrate capacity (M), Vm: Membrane volume (m1) and F: Flow Rate (m1 min -1 ). We assumed 1 hr treatment time during which 1 plasma volume (3L) is treated, hence F=50 (m1 min -1 ). If we assume 2/3 of LDL is removed from an initial level of 3 g/L, we can calculate an average feed concentration Co = 2 g / L. There is some data available in the literature for typical values of Kd (10 -8 M) and ka ( 10 3 M -1 s -1 to 3 x 10 5 M -1 s -1 ) (Olsen WC and others, Molec. Immun: 26: 129-136, 1989). Since the intrinsic reaction kinetics may vary from very slow (10 3 M) to very fast (3 x 10 5 M), the Number of Transfer Units, N may vary from small (2) to large (650). Hence for a membrane device, we must select the antibody with the fastest reaction, ka, and highest capacity (Qmax) otherwise, there may be no advantage in a membrane-based device over a gel-based device

  9. Solid Silica-based Sulphonic Acid as an Efficient Green Catalyst for ...

    African Journals Online (AJOL)

    NJD

    Solid Silica-based Sulphonic Acid as an Efficient Green. Catalyst for the Selective Oxidation of Sulphides to. Sulphoxides using NaCIO in Aqueous Media. Ali Amoozadeh* and Firouzeh Nemati. Department of Chemistry, Faculty of Science, Semnan University, Semnan, Iran. Received 21 October 2008, revised 6 December ...

  10. Encapsulation and solid state sequestration of gases by calix[6]arene-based molecular containers.

    Science.gov (United States)

    Lavendomme, Roy; Ajami, Daniela; Moerkerke, Steven; Wouters, Johan; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan

    2017-06-13

    Two calix[6]arene-based molecular containers were synthesized in high yields. These containers can encapsulate small guests through a unique "rotating door" complexation process. The sequestration of greenhouse gases is clearly demonstrated. They can be stored in the solid state for long periods and released via dissolution of the inclusion complex.

  11. Operando Spectroscopy of the Gas-Phase Aldol Condensation of Propanal over Solid Base Catalysts

    NARCIS (Netherlands)

    Hernández-giménez, Ana M.; Ruiz-martínez, Javier; Puértolas, Begoña; Pérez-ramírez, Javier; Bruijnincx, Pieter C. A.; Weckhuysen, Bert M.

    2017-01-01

    The gas-phase aldol condensation of propanal, taken as model for the aldehyde components in bio-oils, has been studied with a combined operando set-up allowing to perform FT-IR & UV–Vis diffuse reflectance spectroscopy (DRS) with on-line mass spectrometry (MS). The selected solid base catalysts, a

  12. Estimation of Methane Emissions from Municipal Solid Waste Landfills in China Based on Point Emission Sources

    Directory of Open Access Journals (Sweden)

    Cai Bo-Feng

    2014-01-01

    Citation: Cai, B.-F., Liu, J.-G., Gao, Q.-X., et al., 2014. Estimation of methane emissions from municipal solid waste landfills in China based on point emission sources. Adv. Clim. Change Res. 5(2, doi: 10.3724/SP.J.1248.2014.081.

  13. Cell death following BNCT: A theoretical approach based on Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ballarini, F., E-mail: francesca.ballarini@pv.infn.it [University of Pavia, Department of Nuclear and Theoretical Physics, via Bassi 6, Pavia (Italy)] [INFN (National Institute of Nuclear Physics)-Sezione di Pavia, via Bassi 6, Pavia (Italy); Bakeine, J. [University of Pavia, Department of Nuclear and Theoretical Physics, via Bassi 6, Pavia (Italy); Bortolussi, S. [University of Pavia, Department of Nuclear and Theoretical Physics, via Bassi 6, Pavia (Italy)] [INFN (National Institute of Nuclear Physics)-Sezione di Pavia, via Bassi 6, Pavia (Italy); Bruschi, P. [University of Pavia, Department of Nuclear and Theoretical Physics, via Bassi 6, Pavia (Italy); Cansolino, L.; Clerici, A.M.; Ferrari, C. [University of Pavia, Department of Surgery, Experimental Surgery Laboratory, Pavia (Italy); Protti, N.; Stella, S. [University of Pavia, Department of Nuclear and Theoretical Physics, via Bassi 6, Pavia (Italy)] [INFN (National Institute of Nuclear Physics)-Sezione di Pavia, via Bassi 6, Pavia (Italy); Zonta, A.; Zonta, C. [University of Pavia, Department of Surgery, Experimental Surgery Laboratory, Pavia (Italy); Altieri, S. [University of Pavia, Department of Nuclear and Theoretical Physics, via Bassi 6, Pavia (Italy)] [INFN (National Institute of Nuclear Physics)-Sezione di Pavia, via Bassi 6, Pavia (Italy)

    2011-12-15

    In parallel to boron measurements and animal studies, investigations on radiation-induced cell death are also in progress in Pavia, with the aim of better characterisation of the effects of a BNCT treatment down to the cellular level. Such studies are being carried out not only experimentally but also theoretically, based on a mechanistic model and a Monte Carlo code. Such model assumes that: (1) only clustered DNA strand breaks can lead to chromosome aberrations; (2) only chromosome fragments within a certain threshold distance can undergo misrejoining; (3) the so-called 'lethal aberrations' (dicentrics, rings and large deletions) lead to cell death. After applying the model to normal cells exposed to monochromatic fields of different radiation types, the irradiation section of the code was purposely extended to mimic the cell exposure to a mixed radiation field produced by the {sup 10}B(n,{alpha}) {sup 7}Li reaction, which gives rise to alpha particles and Li ions of short range and high biological effectiveness, and by the {sup 14}N(n,p){sup 14}C reaction, which produces 0.58 MeV protons. Very good agreement between model predictions and literature data was found for human and animal cells exposed to X- or gamma-rays, protons and alpha particles, thus allowing to validate the model for cell death induced by monochromatic radiation fields. The model predictions showed good agreement also with experimental data obtained by our group exposing DHD cells to thermal neutrons in the TRIGA Mark II reactor of University of Pavia; this allowed to validate the model also for a BNCT exposure scenario, providing a useful predictive tool to bridge the gap between irradiation and cell death.

  14. The theoretical base of e-learning and its role in surgical education.

    Science.gov (United States)

    Evgeniou, Evgenios; Loizou, Peter

    2012-01-01

    The advances in Internet and computer technology offer many solutions that can enhance surgical education and increase the effectiveness of surgical teaching. E-learning plays an important role in surgical education today, with many e-learning projects already available on the Internet. E-learning is based on a mixture of educational theories that derive from behaviorist, cognitivist, and constructivist educational theoretical frameworks. CAN EDUCATIONAL THEORY IMPROVE E-LEARNING?: Conventional educational theory can be applied to improve the quality and effectiveness of e-learning. The theory of "threshold concepts" and educational theories on reflection, motivation, and communities of practice can be applied when designing e-learning material. E-LEARNING IN SURGICAL EDUCATION: E-learning has many advantages but also has weaknesses. Studies have shown that e-learning is an effective teaching method that offers high levels of learner satisfaction. Instead of trying to compare e-learning with traditional methods of teaching, it is better to integrate in e-learning elements of traditional teaching that have been proven to be effective. E-learning can play an important role in surgical education as a blended approach, combined with more traditional methods of teaching, which offer better face-to-interaction with patients and colleagues in different circumstances and hands on practice of practical skills. National provision of e-learning can make evaluation easier. The correct utilization of Internet and computer resources combined with the application of valid conventional educational theory to design e-learning relevant to the various levels of surgical training can be effective in the training of future surgeons. Copyright © 2012 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

  15. Replacing HDDs with Solid-State Flash Disks in PXIbus-Based Systems

    International Nuclear Information System (INIS)

    Zhao, Z W; Zeng, L

    2006-01-01

    New security features, constantly decreasing prices, solid-state Flash disks are becoming a popular alternative for replacing failure-prone mechanical Hard Disk Drives (HDDs) in PXIbus-based military systems. The key component in high-capacity solid-state Flash disks is NAND Flash, but with a specification that shows only 100,000-300,000 write/erase cycles, engineers may be concerned that the lifetime of Flash disks cannot meet their application requirements. With the right Flash management, Flash disks are able to provide the reliability and endurance that military applications need

  16. Kinetics of aging of metastable solid electrolytes based on zirconium dioxide

    International Nuclear Information System (INIS)

    Vlasov, A.N.; Inozemtsev, M.V.

    1985-01-01

    Kinetics of aging of metastable solid electrolytes on the base of zirconium dioxide stabilized with 8-10 mol.%of yttrium, holmium, and scandium oxides has been studied within the 1200-1373 K temperature range. Kinetic equations describibg behaviour of electric conductivity of two-phase solid electrolytes within a wide temperature interval have been suggested. It has been established that at the initial stage of ageing in cubic solid solution two processes proceed independently of one another: growth of a number of new phase centres and of a volume of new phase centres. At large times growth of a number of new phase centres stops, and kinetics of electrolyte aging is defined only by the growth kinetics of a volume of new phase inclusions

  17. Tunable ultraviolet solid-state dye laser based on MPMMA doped with pyrromethene 597

    International Nuclear Information System (INIS)

    Jiang, Y G; Fan, R W; Xia, Y Q; Chen, D Y

    2011-01-01

    Solid-state dye sample based on modified polymethyl methacrylate (MPMMA) co-doped with pyrromethene 597 (PM597), and coumarin 460 (C460) were prepared. A frequency-doubled pulsed Nd:YAG laser is used to pump solid-state dye sample, and the narrow linewidth dye laser of 94.4 mJ was obtained at 582 nm in an oscillator-amplifier configuration. Using a beta-BaB 2 O 4 (BBO) crystal to frequency double the dye laser into ultraviolet (UV), a tuning range from 279 to 305 nm was demonstrated from a single doped PM597 dye. To the best of our knowledge, the UV tuning range is the best under the same condition so far. The conversion slope efficiency from solid dye laser to UV laser was 8.9% and the highest UV laser output energy reached 6.94 mJ at 291 nm

  18. [Preparation of Oenothera biennis Oil Solid Lipid Nanoparticles Based on Microemulsion Technique].

    Science.gov (United States)

    Piao, Lin-mei; Jin, Yong; Cui, Yan-lin; Yin, Shou-yu

    2015-06-01

    To study the preparation of Oenothera biennis oil solid lipid nanoparticles and its quality evaluation. The solid lipid nanoparticles were prepared by microemulsion technique. The optimum condition was performed based on the orthogonal design to examine the entrapment efficiency, the mean diameter of the particles and so on. The optimal preparation of Oenothera biennis oil solid lipid nanoparticles was as follows: Oenothera biennis dosage 300 mg, glycerol monostearate-Oenothera biennis (2: 3), Oenothera biennis -RH/40/PEG-400 (1: 2), RH-40/PEG-400 (1: 2). The resulting nanoparticles average encapsulation efficiency was (89.89 ± 0.71)%, the average particle size was 44.43 ± 0.08 nm, and the Zeta potential was 64.72 ± 1.24 mV. The preparation process is simple, stable and feasible.

  19. A GIS- Based suitability analysis for siting a solid waste in an urban area

    Directory of Open Access Journals (Sweden)

    M. Salemi

    2017-01-01

    Full Text Available An appropriate solid waste disposal has been a major problem in municipal environment. The use of landfills is the most economical and environmentally acceptable method for the disposal of solid waste all over the world. The analysis of spatial data and consideration of regulation and accepted criteria are part of the important elements in the site selection. The aim of this paper is to show how application of geographic information system could be used for siting solid waste disposal in Abadan city. In this paper, we consider types of soil suitable for solid waste disposals, land use/ land cover, transportation routes and proximity to surface water. Relative importance weight of each criteria in the geographic information system was determined and finally suitability map was prepared. Based on the final suitability map, appropriate solid waste landfill site was located in north east part of the study area. Select the best landfill site among the candidate ones, and   the output results can enable decision makers to make appropriate decisions to reduce the costs both in   economic and environmental criteria.

  20. Monte Carlo-based investigation of water-equivalence of solid phantoms at 137Cs energy

    International Nuclear Information System (INIS)

    Vishwakarma, Ramkrushna S.; Palani Selvam, T.; Sahoo, Sridhar; Mishra, Subhalaxmi; Chourasiya, Ghanshyam

    2013-01-01

    Investigation of solid phantom materials such as solid water, virtual water, plastic water, RW1, polystyrene, and polymethylmethacrylate (PMMA) for their equivalence to liquid water at 137 Cs energy (photon energy of 662 keV) under full scatter conditions is carried out using the EGSnrc Monte Carlo code system. Monte Carlo-based EGSnrc code system was used in the work to calculate distance-dependent phantom scatter corrections. The study also includes separation of primary and scattered dose components. Monte Carlo simulations are carried out using primary particle histories up to 5 x 10 9 to attain less than 0.3% statistical uncertainties in the estimation of dose. Water equivalence of various solid phantoms such as solid water, virtual water, RW1, PMMA, polystyrene, and plastic water materials are investigated at 137 Cs energy under full scatter conditions. The investigation reveals that solid water, virtual water, and RW1 phantoms are water equivalent up to 15 cm from the source. Phantom materials such as plastic water, PMMA, and polystyrene phantom materials are water equivalent up to 10 cm. At 15 cm from the source, the phantom scatter corrections are 1.035, 1.050, and 0.949 for the phantoms PMMA, plastic water, and polystyrene, respectively. (author)

  1. The Case of Value Based Communication—Epistemological and Methodological Reflections from a System Theoretical Perspective

    Directory of Open Access Journals (Sweden)

    Victoria von Groddeck

    2010-09-01

    Full Text Available The aim of this paper is to reflect the epistemological and methodological aspects of an empirical research study which analyzes the phenomenon of increased value communication within business organizations from a system theoretical perspective in the tradition of Niklas LUHMANN. Drawing on the theoretical term of observation it shows how a research perspective can be developed which opens up the scope for an empirical analysis of communication practices. This analysis focuses on the reconstruction of these practices by first understanding how these practices stabilize themselves and second by contrasting different practices to educe an understanding of different forms of observation of the relevant phenomenon and of the functions of these forms. Thus, this approach combines system theoretical epistemology, analytical research strategies, such as form and functional analysis, and qualitative research methods, such as narrative interviews, participant observation and document analysis. URN: urn:nbn:de:0114-fqs1003177

  2. Cooperative interaction of protonated hexamethylenetetramine with a hexaarylbenzene-based receptor: experimental and theoretical study

    Czech Academy of Sciences Publication Activity Database

    Makrlík, E.; Toman, Petr; Vaňura, P.; Rathore, R.

    2012-01-01

    Roč. 1014, APR 25 (2012), s. 7-11 ISSN 0022-2860 R&D Projects: GA ČR(CZ) GAP205/10/2280 Institutional research plan: CEZ:AV0Z40500505 Keywords : extraction * DFT * complexation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.404, year: 2012

  3. Randomized Trial of ConquerFear: A Novel, Theoretically Based Psychosocial Intervention for Fear of Cancer Recurrence

    NARCIS (Netherlands)

    Butow, P.N.; Turner, J.; Gilchrist, J.; Sharpe, L.; Smith, A.B.; Fardell, J.E.; Tesson, S.; O'Connell, R.; Girgis, A.; Gebski, V.J.; Asher, R.; Mihalopoulos, C.; Bell, M.L.; Zola, K.G.; Beith, J.; Thewes, B.

    2017-01-01

    Purpose Fear of cancer recurrence (FCR) is prevalent, distressing, and long lasting. This study evaluated the impact of a theoretically/empirically based intervention (ConquerFear) on FCR. Methods Eligible survivors had curable breast or colorectal cancer or melanoma, had completed treatment (not

  4. Effects of accelerated degradation on metal supported thin film-based solid oxide fuel cell

    DEFF Research Database (Denmark)

    Reolon, R. P.; Sanna, S.; Xu, Yu

    2018-01-01

    A thin film-based solid oxide fuel cell is deposited on a Ni-based metal porous support by pulsed laser deposition with a multi-scale-graded microstructure design. The fuel cell, around 1 μm in thickness, is composed of a stabilized-zirconia/doped-ceria bi-layered dense electrolyte and nanostruct......A thin film-based solid oxide fuel cell is deposited on a Ni-based metal porous support by pulsed laser deposition with a multi-scale-graded microstructure design. The fuel cell, around 1 μm in thickness, is composed of a stabilized-zirconia/doped-ceria bi-layered dense electrolyte......, electrochemical performances are steady, indicating the stability of the cell. Under electrical load, a progressive degradation is activated. Post-test analysis reveals both mechanical and chemical degradation of the cell. Cracks and delamination of the thin films promote a significant nickel diffusion and new...

  5. A beginner's guide to writing the nursing conceptual model-based theoretical rationale.

    Science.gov (United States)

    Gigliotti, Eileen; Manister, Nancy N

    2012-10-01

    Writing the theoretical rationale for a study can be a daunting prospect for novice researchers. Nursing's conceptual models provide excellent frameworks for placement of study variables, but moving from the very abstract concepts of the nursing model to the less abstract concepts of the study variables is difficult. Similar to the five-paragraph essay used by writing teachers to assist beginning writers to construct a logical thesis, the authors of this column present guidelines that beginners can follow to construct their theoretical rationale. This guide can be used with any nursing conceptual model but Neuman's model was chosen here as the exemplar.

  6. Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies

    Science.gov (United States)

    Valente, Marco A. G.; Teixeira, Deiver A.; Azevedo, David L.; Feliciano, Gustavo T.; Benedetti, Assis V.; Fugivara, Cecílio S.

    2017-01-01

    The interaction of volatile corrosion inhibitors (VCI), caprylate salt derivatives from amines, with zinc metallic surfaces is assessed by density functional theory (DFT) computer simulations, electrochemical impedance (EIS) measurements and humid chamber tests. The results obtained by the different methods were compared, and linear correlations were obtained between theoretical and experimental data. The correlations between experimental and theoretical results showed that the molecular size is the determining factor in the inhibition efficiency. The models used and experimental results indicated that dicyclohexylamine caprylate is the most efficient inhibitor. PMID:28620602

  7. The covariance of the differences between experimental and theoretical chemical shifts as an aid for assigning two-dimensional heteronuclear correlation solid-state NMR spectra

    Czech Academy of Sciences Publication Activity Database

    Czernek, Jiří; Brus, Jiří

    2014-01-01

    Roč. 608, 21 July (2014), s. 334-339 ISSN 0009-2614 R&D Projects: GA ČR(CZ) GA14-03636S Institutional support: RVO:61389013 Keywords : NMR * DFT * covariance Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.897, year: 2014

  8. Theoretical analysis of the switching efficiency of a grating-based laser beam modulator

    International Nuclear Information System (INIS)

    Ramachandran, V.

    1983-03-01

    A theoretical interpretation of the digital beam deflection efficiency of an electro-optic modulator is described. Calculated switching voltages are in good agreement with the experimentally observed values. The computed percentage efficiencies to three successive positions are 57, 48 and 43, respectively. (author)

  9. Review of theoretical calculations of hydrogen storage in carbon-based materials

    Energy Technology Data Exchange (ETDEWEB)

    Meregalli, V.; Parrinello, M. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    2001-02-01

    In this paper we review the existing theoretical literature on hydrogen storage in single-walled nanotubes and carbon nanofibers. The reported calculations indicate a hydrogen uptake smaller than some of the more optimistic experimental results. Furthermore the calculations suggest that a variety of complex chemical processes could accompany hydrogen storage and release. (orig.)

  10. Energy levels and quantum states of [Leu]enkephalin conformations based on theoretical and experimental investigations

    DEFF Research Database (Denmark)

    Abdali, Salim; Jensen, Morten Østergaard; Bohr, Henrik

    2003-01-01

    This paper describes a theoretical and experimental study of [Leu]enkephalin conformations with respect to the quantum estates of the atomic structure of the peptide. Results from vibrational absorption measurements and quantum calculations are used to outline a quantum picture and to assign vibr...

  11. [Theoretical modeling and experimental research on direct compaction characteristics of multi-component pharmaceutical powders based on the Kawakita equation].

    Science.gov (United States)

    Si, Guo-Ning; Chen, Lan; Li, Bao-Guo

    2014-04-01

    Base on the Kawakita powder compression equation, a general theoretical model for predicting the compression characteristics of multi-components pharmaceutical powders with different mass ratios was developed. The uniaxial flat-face compression tests of powder lactose, starch and microcrystalline cellulose were carried out, separately. Therefore, the Kawakita equation parameters of the powder materials were obtained. The uniaxial flat-face compression tests of the powder mixtures of lactose, starch, microcrystalline cellulose and sodium stearyl fumarate with five mass ratios were conducted, through which, the correlation between mixture density and loading pressure and the Kawakita equation curves were obtained. Finally, the theoretical prediction values were compared with experimental results. The analysis showed that the errors in predicting mixture densities were less than 5.0% and the errors of Kawakita vertical coordinate were within 4.6%, which indicated that the theoretical model could be used to predict the direct compaction characteristics of multi-component pharmaceutical powders.

  12. Theoretical study of the noble metals on semiconductor surfaces and Ti-base shape memory alloys

    International Nuclear Information System (INIS)

    Ding, Yungui.

    1994-01-01

    The electronic and structural properties of the (√3 x √3) R30 degrees Ag/Si(111) and (√3 x √3) R30 degrees Au/Si(111) surfaces are investigated using first principles total energy calculations. We have tested almost all experimentally proposed structural models for both surfaces and found the energetically most favorable model for each of them. The lowest energy model structure of the (√3 x √3) R30 degrees Ag/Si(111) surface consists of a top layer of Ag atoms arranged as ''honeycomb-chained-trimers'' lying above a distorted ''missing top layer'' Si(111) substrate. The coverage of Ag is 1 monolayer (ML). We find that the honeycomb structure observed in STM images arise from the electronic charge densities of an empty surface band near the Fermi level. The electronic density of states of this model gives a ''pseudo-gap'' around the Fermi level, which is consistent with experimental results. The lowest energy model for the (√3 x √3) R30 degrees Au/Si(111) surface is a conjugate honeycomb-chained-trimer (CHCT-1) configuration which consists of a top layer of trimers formed by 1 ML Au atoms lying above a ''missing top layer'' Si(111) substrate with a honeycomb-chained-trimer structure for its first layer. The structures of Au and Ag are in fact quite similar and belong to the same class of structural models. However, small variation in the structural details gives rise to quite different observed STM images, as revealed in the theoretical calculations. The electronic charge density from bands around the Fermi level for the (√3 x √3) R30 degrees, Au/Si(111) surface also gives a good description of the images observed in STM experiments. First principles calculations are performed to study the electronic and structural properties of a series of Ti-base binary alloys TiFe, TiNi, TiPd, TiMo, and TiAu in the B2 structure

  13. Flexible all solid-state supercapacitors based on chemical vapor deposition derived graphene fibers.

    Science.gov (United States)

    Li, Xinming; Zhao, Tianshuo; Chen, Qiao; Li, Peixu; Wang, Kunlin; Zhong, Minlin; Wei, Jinquan; Wu, Dehai; Wei, Bingqing; Zhu, Hongwei

    2013-11-07

    Flexible all-solid-state supercapacitors based on graphene fibers are demonstrated in this study. Surface-deposited oxide nanoparticles are used as pseudo-capacitor electrodes to achieve high capacitance. This supercapacitor electrode has an areal capacitance of 42 mF cm(-2), which is comparable to the capacitance for fiber-based supercapacitors reported to date. During the bending and cycling of the fiber-based supercapacitor, the stability could be maintained without sacrificing the electrochemical performance, which provides a novel and simple way to develop flexible, lightweight and efficient graphene-based devices.

  14. Theoretical study of the flexoelectric effect based on a simple model of ferroelectric material

    Czech Academy of Sciences Publication Activity Database

    Klíč, Antonín; Marvan, M.

    2004-01-01

    Roč. 63, - (2004), s. 155-159 ISSN 1058-4587 R&D Projects: GA ČR GA202/00/1187; GA ČR GA202/02/0238 Institutional research plan: CEZ:AV0Z1010914; CEZ:MSM 113200001 Keywords : ferroelectrics * piezoelectricity * electrostriction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.427, year: 2004

  15. Transforming lipid-based oral drug delivery systems into solid dosage forms: an overview of solid carriers, physicochemical properties, and biopharmaceutical performance.

    Science.gov (United States)

    Tan, Angel; Rao, Shasha; Prestidge, Clive A

    2013-12-01

    The diversity of lipid excipients available commercially has enabled versatile formulation design of lipid-based drug delivery systems for enhancing the oral absorption of poorly water-soluble drugs, such as emulsions, microemulsions, micelles, liposomes, niosomes and various self-emulsifying systems. The transformation of liquid lipid-based systems into solid dosage forms has been investigated for several decades, and has recently become a core subject of pharmaceutical research as solidification is regarded as viable means for stabilising lipid colloidal systems while eliminating stringent processing requirements associated with liquid systems. This review describes the types of pharmaceutical grade excipients (silica nanoparticle/microparticle, polysaccharide, polymer and protein-based materials) used as solid carriers and the current state of knowledge on the liquid-to-solid conversion approaches. Details are primarily focused on the solid-state physicochemical properties and redispersion capacity of various dry lipid-based formulations, and how these relate to the in vitro drug release and solubilisation, lipid carrier digestion and cell permeation performances. Numerous in vivo proof-of-concept studies are presented to highlight the viability of these dry lipid-based formulations. This review is significant in directing future research work in fostering translation of dry lipid-based formulations into clinical applications.

  16. Experimental and theoretical study on cation-pi interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state

    Czech Academy of Sciences Publication Activity Database

    Makrlík, E.; Klepetářová, Blanka; Sýkora, D.; Böhm, S.; Vaňura, P.; Storch, Jan

    2015-01-01

    Roč. 635, Aug 16 (2015), s. 355-359 ISSN 0009-2614 R&D Projects: GA ČR GP13-21409P; GA ČR GAP207/10/1124; GA TA ČR TA01010646; GA MPO FR-TI3/628 Institutional support: RVO:61388963 ; RVO:67985858 Keywords : [7]helicene * univalent silver cation * crystal structure Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.860, year: 2015

  17. Theoretical Bases of the Model of Interaction of the Government and Local Government Creation

    OpenAIRE

    Nikolay I. Churinov

    2015-01-01

    Article is devoted to questions of understanding of a theoretical component: systems of interaction of bodies of different levels of the government. Author researches historical basis of the studied subject by research of foreign and domestic scientific experience in area of the theory of the state and the law. Much attention is paid to the scientific aspect of the question. By empirical approach interpretation of the theory of interaction of public authorities and local government, and also ...

  18. A THEORETICAL APPROACH TO THE TRANSITION FROM A RESOURCE BASED TO A KNOWLEDGE-ECONOMY

    Directory of Open Access Journals (Sweden)

    Diana GIOACASI

    2015-09-01

    Full Text Available Economic development and the emergence of new technologies have changed the optics on the factors that are generating added value. The transition from a resource-dependent economy to one focused on tangible non-financial factors has progressed in a gradual manner and took place under the influence of globalization and of the internet boom. The aim of this article is to provide a theoretical approach to this phenomenon from the perspective of the temporal evolution of enterprise resources.

  19. Synthesis of new solid polymer electrolyte and actuator based on PEDOT/NBR/ionic liquid

    Science.gov (United States)

    Cho, M. S.; Seo, H. J.; Nam, J. D.; Choi, H. R.; Koo, J. C.; Lee, Y.

    2006-03-01

    The conducting polymer actuator was presented. The solid polymer electrolyte based on nitrile rubber (NBR) activated with different ionic liquids was prepared. The three different grades of NBR films were synthesized by emulsion polymerization with different amount of acrylonitrile, 23, 35, and 40 mol. %, respectively. The effect of acrylonitrile content on the ionic conductivity and dielectric constant of solid polymer electrolytes was characterized. A conducting polymer, poly(3,4-ethylenedioxythiophene) (PEDOT), was synthesized on the surface of the NBR layer by using a chemical oxidation polymerization technique, and room temperature ionic liquids (RTIL) based on imidazolium salts, e.g. 1-butyl-3-methyl imidazolium X [where X= BF 4 -, PF 6 -, (CF 3SO II) IIN -], were absorbed into the composite film. The effects of the anion size of the ionic liquids on the displacement of the actuator were examined. The displacement increased with increasing the anion-size of the ionic liquids.

  20. The Estimation of Knowledge Solidity Based on the Comparative Analysis of Different Test Results

    Directory of Open Access Journals (Sweden)

    Y. K. Khenner

    2012-01-01

    Full Text Available At present, the testing techniques of knowledge estimation are widely spread in educational system. However, this method is seriously criticized including its application to the Unified State Examinations. The research is aimed at studying the limitations of testing techniques. The authors recommend a new way of knowledge solid- ity estimation bases on the comparative results analysis of various kinds of tests. While testing the large group of students, the authors found out that the results of the closed and open tests substantially differ. The comparative analysis demonstrates that the open tests assessment of the knowledge solidity is more adequate than that of the closed ones. As the research is only based on a single experiment, the authors recommend using this method further, substantiating the findings concerning the differences in tests results, and analyzing the advantages and disadvantages of the tests in question. 

  1. Fast Measurement of Soluble Solid Content in Mango Based on Visible and Infrared Spectroscopy Technique

    Science.gov (United States)

    Yu, Jiajia; He, Yong

    Mango is a kind of popular tropical fruit, and the soluble solid content is an important in this study visible and short-wave near-infrared spectroscopy (VIS/SWNIR) technique was applied. For sake of investigating the feasibility of using VIS/SWNIR spectroscopy to measure the soluble solid content in mango, and validating the performance of selected sensitive bands, for the calibration set was formed by 135 mango samples, while the remaining 45 mango samples for the prediction set. The combination of partial least squares and backpropagation artificial neural networks (PLS-BP) was used to calculate the prediction model based on raw spectrum data. Based on PLS-BP, the determination coefficient for prediction (Rp) was 0.757 and root mean square and the process is simple and easy to operate. Compared with the Partial least squares (PLS) result, the performance of PLS-BP is better.

  2. Valorization of Calcium Carbonate-Based Solid Wastes for the Treatment of Hydrogen Sulfide from the Gas Phase

    OpenAIRE

    Pham Xuan , Huynh; Pham Minh , Doan; Galera Martinez , Marta; Nzihou , Ange; Sharrock , Patrick

    2015-01-01

    International audience; This paper focuses on the valorization of calcium carbonate-based solid wastes for theremoval of hydrogen sulfide from gas phase. Two solid wastes taken from industrial sites for theproduction of sodium carbonate and sodium bicarbonate by the Solvay process® were analyzedby different physico-chemical methods. Calcium carbonate was found as the main component ofboth the solid wastes. Trace amounts of other elements such as Mg, Al, Fe, Si, Cl, Na etc. werealso present in...

  3. Theoretical and Simulations-Based Modeling of Micellization in Linear and Branched Surfactant Systems

    Science.gov (United States)

    Mendenhall, Jonathan D.

    's and other micellization properties for a variety of linear and branched surfactant chemical architectures which are commonly encountered in practice. Single-component surfactant solutions are investigated, in order to clarify the specific contributions of the surfactant head and tail to the free energy of micellization, a quantity which determines the cmc and all other aspects of micellization. First, a molecular-thermodynamic (MT) theory is presented which makes use of bulk-phase thermodynamics and a phenomenological thought process to describe the energetics related to the formation of a micelle from its constituent surfactant monomers. Second, a combined computer-simulation/molecular-thermodynamic (CSMT) framework is discussed which provides a more detailed quantification of the hydrophobic effect using molecular dynamics simulations. A novel computational strategy to identify surfactant head and tail using an iterative dividing surface approach, along with simulated micelle results, is proposed. Force-field development for novel surfactant structures is also discussed. Third, a statistical-thermodynamic, single-chain, mean-field theory for linear and branched tail packing is formulated, which enables quantification of the specific energetic penalties related to confinement and constraint of surfactant tails within micelles. Finally, these theoretical and simulations-based strategies are used to predict the micellization behavior of 55 linear surfactants and 28 branched surfactants. Critical micelle concentration and optimal micelle properties are reported and compared with experiment, demonstrating good agreement across a range of surfactant head and tail types. In particular, the CSMT framework is found to provide improved agreement with experimental cmc's for the branched surfactants considered. (Copies available exclusively from MIT Libraries, libraries.mit.edu/docs - docs mit.edu)

  4. Solid-state nuclear-spin quantum computer based on magnetic resonance force microscopy

    International Nuclear Information System (INIS)

    Berman, G. P.; Doolen, G. D.; Hammel, P. C.; Tsifrinovich, V. I.

    2000-01-01

    We propose a nuclear-spin quantum computer based on magnetic resonance force microscopy (MRFM). It is shown that an MRFM single-electron spin measurement provides three essential requirements for quantum computation in solids: (a) preparation of the ground state, (b) one- and two-qubit quantum logic gates, and (c) a measurement of the final state. The proposed quantum computer can operate at temperatures up to 1 K. (c) 2000 The American Physical Society

  5. Edge detection of solid motor' CT image based on gravitation model

    International Nuclear Information System (INIS)

    Yu Guanghui; Lu Hongyi; Zhu Min; Liu Xudong; Hou Zhiqiang

    2012-01-01

    In order to detect the edge of solid motor' CT image much better, a new edge detection operator base on gravitation model was put forward. The edge of CT image is got by the new operator. The superiority turned out by comparing the edge got by ordinary operator. The comparison among operators with different size shows that higher quality CT images need smaller size operator while the lower need the larger. (authors)

  6. Physicochemical pretreatments and hydrolysis of furfural residues via carbon-based sulfonated solid acid.

    Science.gov (United States)

    Ma, Bao Jun; Sun, Yuan; Lin, Ke Ying; Li, Bing; Liu, Wan Yi

    2014-03-01

    Potential commercial physicochemical pretreatment methods, NaOH/microwave and NaOH/ultrasound were developed, and the carbon-based sulfonated solid acid catalysts were prepared for furfural residues conversion into reducing sugars. After the two optimum pretreatments, both the content of cellulose increased (74.03%, 72.28%, respectively) and the content of hemicellulose (94.11%, 94.17% of removal rate, respectively) and lignin (91.75%, 92.09% of removal rate, respectively) decreased in furfural residues. The reducing sugar yields of furfural residues with the two physicochemical pretreatments on coal tar-based solid acid reached 33.94% and 33.13%, respectively, higher than that pretreated via NaOH alone (27%) and comparable to that pretreated via NaOH/H2O2 (35.67%). The XRD patterns, IR spectra and SEM images show microwave and ultrasound improve the pretreatment effect. The results demonstrate the carbon-based sulfonated solid acids and the physicochemical pretreatments are green, effective, low-cost for furfural residues conversion. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. CSBB-ConeExclusion, adapting structure based solution virtual screening to libraries on solid support.

    Science.gov (United States)

    Shave, Steven; Auer, Manfred

    2013-12-23

    Combinatorial chemical libraries produced on solid support offer fast and cost-effective access to a large number of unique compounds. If such libraries are screened directly on-bead, the speed at which chemical space can be explored by chemists is much greater than that addressable using solution based synthesis and screening methods. Solution based screening has a large supporting body of software such as structure-based virtual screening tools which enable the prediction of protein-ligand complexes. Use of these techniques to predict the protein bound complexes of compounds synthesized on solid support neglects to take into account the conjugation site on the small molecule ligand. This may invalidate predicted binding modes, the linker may be clashing with protein atoms. We present CSBB-ConeExclusion, a methodology and computer program which provides a measure of the applicability of solution dockings to solid support. Output is given in the form of statistics for each docking pose, a unique 2D visualization method which can be used to determine applicability at a glance, and automatically generated PyMol scripts allowing visualization of protein atom incursion into a defined exclusion volume. CSBB-ConeExclusion is then exemplarically used to determine the optimum attachment point for a purine library targeting cyclin-dependent kinase 2 CDK2.

  8. DEVELOPMENT and TESTING OF A CEMENT-BASED SOLID WASTE FORM USING SYNTHETIC UP-1 GROUNDWATER

    International Nuclear Information System (INIS)

    COOKE, G.A.; LOCKREM, L.L.

    2006-01-01

    The Effluent Treatment Facility (ETF) in the 200 East Area of the Hanford Site is investigating the conversion of several liquid waste streams from evaporator operations into solid cement-based waste forms. The cement/waste mixture will be poured into plastic-lined mold boxes. After solidification the bags will be removed from the molds and sealed for land disposal at the Hanford Site. The RJ Lee Group, Inc. Center for Laboratory Sciences (CLS) at Columbia Basin College (CBC) was requested to develop and test a cementitious solids (CS) formulation to solidify evaporated groundwater brine, identified as UP-1, from Basin 43. Laboratory testing of cement/simulant mixtures is required to demonstrate the viability of cement formulations that reduce the overall cost, minimize bleed water and expansion, and provide suitable strength and cure temperature. Technical support provided mixing, testing, and reporting of values for a defined composite solid waste form. In this task, formulations utilizing Basin 43 simulant at varying wt% solids were explored. The initial mixing consisted of making small (∼ 300 g) batches and casting into 500-mL Nalgene(reg s ign) jars. The mixes were cured under adiabatic conditions and checked for bleed water and consistency at recorded time intervals over a 1-week period. After the results from the preliminary mixing, four formulations were selected for further study. The testing documentation included workability, bleed water analysis (volume and pH) after 24 hours, expansivity/shrinkage, compressive strength, and selected Toxicity Characteristic Leaching Procedure (TCLP) leach analytes of the resulting solid waste form

  9. Theoretical Bases of the Model of Interaction of the Government and Local Government Creation

    Directory of Open Access Journals (Sweden)

    Nikolay I. Churinov

    2015-09-01

    Full Text Available Article is devoted to questions of understanding of a theoretical component: systems of interaction of bodies of different levels of the government. Author researches historical basis of the studied subject by research of foreign and domestic scientific experience in area of the theory of the state and the law. Much attention is paid to the scientific aspect of the question. By empirical approach interpretation of the theory of interaction of public authorities and local government, and also subjective estimated opinion of the author is given.

  10. Solid State Division

    International Nuclear Information System (INIS)

    Green, P.H.; Watson, D.M.

    1989-08-01

    This report contains brief discussions on work done in the Solid State Division of Oak Ridge National Laboratory. The topics covered are: Theoretical Solid State Physics; Neutron scattering; Physical properties of materials; The synthesis and characterization of materials; Ion beam and laser processing; and Structure of solids and surfaces

  11. Solid State Division

    Energy Technology Data Exchange (ETDEWEB)

    Green, P.H.; Watson, D.M. (eds.)

    1989-08-01

    This report contains brief discussions on work done in the Solid State Division of Oak Ridge National Laboratory. The topics covered are: Theoretical Solid State Physics; Neutron scattering; Physical properties of materials; The synthesis and characterization of materials; Ion beam and laser processing; and Structure of solids and surfaces. (LSP)

  12. Solid solution strengthening and diffusion in nickel- and cobalt-based superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Rehman, Hamad ur

    2016-07-01

    Nickel and cobalt-based superalloys with a γ-γ{sup '} microstructure are known for their excellent creep resistance at high temperatures. Their microstructure is engineered using different alloying elements, that partition either to the fcc γ matrix or to the ordered γ{sup '} phase. In the present work the effect of alloying elements on their segregation behaviour in nickel-based superalloys, diffusion in cobalt-based superalloys and the temperature dependent solid solution strengthening in nickel-based alloys is investigated. The effect of dendritic segregation on the local mechanical properties of individual phases in the as-cast, heat treated and creep deformed state of a nickel-based superalloy is investigated. The local chemical composition is characterized using Electron Probe Micro Analysis and then correlated with the mechanical properties of individual phases using nanoindentation. Furthermore, the temperature dependant solid solution hardening contribution of Ta, W and Re towards fcc nickel is studied. The room temperature hardening is determined by a diffusion couple approach using nanoindentation and energy dispersive X-ray analysis for relating hardness to the chemical composition. The high temperature properties are determined using compression strain rate jump tests. The results show that at lower temperatures, the solute size is prevalent and the elements with the largest size difference with nickel, induce the greatest hardening consistent with a classical solid solution strengthening theory. At higher temperatures, the solutes interact with the dislocations such that the slowest diffusing solute poses maximal resistance to dislocation glide and climb. Lastly, the diffusion of different technically relevant solutes in fcc cobalt is investigated using diffusion couples. The results show that the large atoms diffuse faster in cobalt-based superalloys similar to their nickel-based counterparts.

  13. Solid solution strengthening and diffusion in nickel- and cobalt-based superalloys

    International Nuclear Information System (INIS)

    Rehman, Hamad ur

    2016-01-01

    Nickel and cobalt-based superalloys with a γ-γ ' microstructure are known for their excellent creep resistance at high temperatures. Their microstructure is engineered using different alloying elements, that partition either to the fcc γ matrix or to the ordered γ ' phase. In the present work the effect of alloying elements on their segregation behaviour in nickel-based superalloys, diffusion in cobalt-based superalloys and the temperature dependent solid solution strengthening in nickel-based alloys is investigated. The effect of dendritic segregation on the local mechanical properties of individual phases in the as-cast, heat treated and creep deformed state of a nickel-based superalloy is investigated. The local chemical composition is characterized using Electron Probe Micro Analysis and then correlated with the mechanical properties of individual phases using nanoindentation. Furthermore, the temperature dependant solid solution hardening contribution of Ta, W and Re towards fcc nickel is studied. The room temperature hardening is determined by a diffusion couple approach using nanoindentation and energy dispersive X-ray analysis for relating hardness to the chemical composition. The high temperature properties are determined using compression strain rate jump tests. The results show that at lower temperatures, the solute size is prevalent and the elements with the largest size difference with nickel, induce the greatest hardening consistent with a classical solid solution strengthening theory. At higher temperatures, the solutes interact with the dislocations such that the slowest diffusing solute poses maximal resistance to dislocation glide and climb. Lastly, the diffusion of different technically relevant solutes in fcc cobalt is investigated using diffusion couples. The results show that the large atoms diffuse faster in cobalt-based superalloys similar to their nickel-based counterparts.

  14. Developing theoretically based and culturally appropriate interventions to promote hepatitis B testing in 4 Asian American populations, 2006-2011.

    Science.gov (United States)

    Maxwell, Annette E; Bastani, Roshan; Glenn, Beth A; Taylor, Victoria M; Nguyen, Tung T; Stewart, Susan L; Burke, Nancy J; Chen, Moon S

    2014-05-01

    Hepatitis B infection is 5 to 12 times more common among Asian Americans than in the general US population and is the leading cause of liver disease and liver cancer among Asians. The purpose of this article is to describe the step-by-step approach that we followed in community-based participatory research projects in 4 Asian American groups, conducted from 2006 through 2011 in California and Washington state to develop theoretically based and culturally appropriate interventions to promote hepatitis B testing. We provide examples to illustrate how intervention messages addressing identical theoretical constructs of the Health Behavior Framework were modified to be culturally appropriate for each community. Intervention approaches included mass media in the Vietnamese community, small-group educational sessions at churches in the Korean community, and home visits by lay health workers in the Hmong and Cambodian communities. Use of the Health Behavior Framework allowed a systematic approach to intervention development across populations, resulting in 4 different culturally appropriate interventions that addressed the same set of theoretical constructs. The development of theory-based health promotion interventions for different populations will advance our understanding of which constructs are critical to modify specific health behaviors.

  15. Theoretical Aspects of Cross-border Integration-based Economic Cooperation

    Directory of Open Access Journals (Sweden)

    Bilchak V.

    2014-09-01

    Full Text Available In this article the author analyses theoretical aspects of border economy in the conditions of modern processes of integration. The author describes the existing schools and concepts of integration stressing the role of government regulation relating to the deformations in the development of the world economic mechanism. Modern studies focus on the evolution of integration processes, which has largely affected the key elements of the world economic mechanism from classical political economy, monopoly regulation. This resulted in monopolistic competition, imperfect competition, and oligopoly – largely, through all fields and poles of economic growth to certain elements of government regulation and social reproduction on the international scale. The author examines the key elements and stages of economic integration. These stages assume a number of consecutive forms: free trade zone, customs union, common market, complete economic integration, and economic union. The article shows that the transition occurs from the lowest to the highest stages — from the processes of integration involving, firstly, trade market and then capital and labour markets to the integration of social sphere. The theoretical aspects of all these transformations can be easily traced in the case of EU integration processes.

  16. An Electrically Actuated Microbeam-Based MEMS Device: Experimental and Theoretical Investigation

    KAUST Repository

    Ruzziconi, Laura

    2017-11-03

    The present paper deals with the dynamic behavior of a microelectromechanical systems (MEMS). The device consists of a clamped-clamped microbeam electrostatically and electrodynamically actuated. Our objective is to develop a theoretical analysis, which is able to describe and predict all the main relevant aspects of the experimental response. In the first part of the paper an extensive experimental investigation is conducted. The microbeam is perfectly straight. The first three experimental natural frequencies are identified and the nonlinear dynamics are explored at increasing values of electrodynamic excitation. Several backward and forward frequency sweeps are acquired. The nonlinear behavior is highlighted. The experimental data show the coexistence of the nonresonant and the resonant branch, which perform a bending toward higher frequencies values before undergoing jump or pull-in dynamics. This kind of bending is not particularly common in MEMS. In the second part of the paper, a theoretical single degree-of-freedom model is derived. The unknown parameters are extracted and settled via parametric identification. A single mode reduced-order model is considered, which is obtained via the Galerkin technique. To enhance the computational efficiency, the contribution of the electric force term is computed in advance and stored in a table. Extensive numerical simulations are performed at increasing values of electrodynamic excitation. They are observed to properly predict all the main nonlinear features arising in the device response. This occurs not only at low values of electrodynamic excitation, but also at higher ones

  17. CT assessment-based direct surgical resection of part-solid nodules with solid component larger than 5 mm without preoperative biopsy: experience at a single tertiary hospital

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sang Min [Seoul National University College of Medicine, Department of Radiology, Seoul (Korea, Republic of); Seoul National University Medical Research Center, Institute of Radiation Medicine, Seoul (Korea, Republic of); Asan Medical Center, Department of Radiology and Research Institute of Radiology, University of Ulsan College of Medicine, Seoul (Korea, Republic of); Park, Chang Min; Song, Yong Sub; Kim, Hyungjin; Goo, Jin Mo [Seoul National University College of Medicine, Department of Radiology, Seoul (Korea, Republic of); Seoul National University Medical Research Center, Institute of Radiation Medicine, Seoul (Korea, Republic of); Kim, Young Tae [Seoul National University College of Medicine, Department of Thoracic and Cardiovascular Surgery, Seoul (Korea, Republic of); Park, Young Sik [Seoul National University Hospital, Division of Pulmonary and Critical Care Medicine, Department of Internal Medicine, Seoul (Korea, Republic of); Seoul National University College of Medicine, Department of Internal Medicine, Seoul (Korea, Republic of)

    2017-12-15

    To retrospectively evaluate the feasibility of CT assessment-based direct surgical resection of part-solid nodules (PSNs) with solid components > 5 mm without preoperative percutaneous transthoracic needle biopsies (PTNBs). From January 2009-December 2014, 85 PSNs with solid components > 5 mm on CT were included. Preoperative PTNBs were performed for 41 PSNs (biopsy group) and CT assessment-based direct resections were performed for 44 PSNs (direct surgery group). Diagnostic accuracy and complication rates of the groups were compared. Pathological results of 83 PSNs excluding two indeterminate nodules included 76 adenocarcinomas (91.6%), two adenocarcinomas in situ (2.4%) and five benign lesions (6.0%). In the biopsy group, the overall sensitivity, specificity and accuracy for the diagnosis of adenocarcinoma were 78.9% (30/38), 100% (1/1) and 79.5% (31/39), respectively. Pneumothorax and haemoptysis occurred in 11 procedures (26.8%). In the direct surgery group, the respective values for the diagnosis of adenocarcinoma were 100% (38/38), 0% (0/6) and 86.4% (38/44), respectively. Seven pneumothoraces (15.9%); no haemoptysis occurred during localization procedures. There were no significant differences in diagnostic accuracy (P = 0.559) between the two groups. CT assessment-based direct resection can be reasonable for PSNs with solid part > 5 mm. (orig.)

  18. CT assessment-based direct surgical resection of part-solid nodules with solid component larger than 5 mm without preoperative biopsy: experience at a single tertiary hospital

    International Nuclear Information System (INIS)

    Lee, Sang Min; Park, Chang Min; Song, Yong Sub; Kim, Hyungjin; Goo, Jin Mo; Kim, Young Tae; Park, Young Sik

    2017-01-01

    To retrospectively evaluate the feasibility of CT assessment-based direct surgical resection of part-solid nodules (PSNs) with solid components > 5 mm without preoperative percutaneous transthoracic needle biopsies (PTNBs). From January 2009-December 2014, 85 PSNs with solid components > 5 mm on CT were included. Preoperative PTNBs were performed for 41 PSNs (biopsy group) and CT assessment-based direct resections were performed for 44 PSNs (direct surgery group). Diagnostic accuracy and complication rates of the groups were compared. Pathological results of 83 PSNs excluding two indeterminate nodules included 76 adenocarcinomas (91.6%), two adenocarcinomas in situ (2.4%) and five benign lesions (6.0%). In the biopsy group, the overall sensitivity, specificity and accuracy for the diagnosis of adenocarcinoma were 78.9% (30/38), 100% (1/1) and 79.5% (31/39), respectively. Pneumothorax and haemoptysis occurred in 11 procedures (26.8%). In the direct surgery group, the respective values for the diagnosis of adenocarcinoma were 100% (38/38), 0% (0/6) and 86.4% (38/44), respectively. Seven pneumothoraces (15.9%); no haemoptysis occurred during localization procedures. There were no significant differences in diagnostic accuracy (P = 0.559) between the two groups. CT assessment-based direct resection can be reasonable for PSNs with solid part > 5 mm. (orig.)

  19. All-Solid-State Lithium-Sulfur Battery based on a nanoconfined LiBH 4 Electrolyte

    NARCIS (Netherlands)

    Das, Supti; Ngene, Peter; Norby, Poul; Vegge, Tejs; de Jongh, P.E.; Blanchard, Didier

    2016-01-01

    In this work we characterize all-solid-state lithium-sulfur batteries based on nano-confined LiBH4in mesoporous silica as solid electrolytes. The nano-confined LiBH4has fast ionic lithium conductivity at room temperature, 0.1 mScm-1, negligible electronic conductivity and its cationic transport

  20. Viscoelastic response of HTPB based solid fuel to horizontal and vertical storage slumping conditions and it's affect on service life

    International Nuclear Information System (INIS)

    Nawaz, Q.; Nizam, F.

    2011-01-01

    Frequent use of solid fuels as thrust generating energy source in modern day space vehicle systems has created a need to assess their serviceability for long term storage under various conditions. Solid fuel grain, the most important part of any solid fuel system, responds visco elastically to any loading condition. For the assessment of the service life of any solid fuel system, the solid fuel grain has to be structurally evaluated in applied storage conditions. Structural integrity of the grain is exceptionally significant to guarantee the successful operation of the solid fuel system. In this work, numerical simulations have been performed to assess the mechanical stresses and strains induced in an HTPB based solid fuel grain during service life employing ABAQUS standard FEA software using 4-node bilinear quadrilateral elements. For finite element analysis (FEA), typical 2-D and p/nth axisymmetric section of 5-point (n) star grain geometry is considered. Mechanical loads include the horizontal or vertical 1-g (solid fuel weight) storage condition. The simulation results are compared with the analytical results for the same grain geometry. Analytically measured slump deflections in grain segment at various storage times have been found in good relation with the FEA based simulation results. This proves the validity of the procedure adopted and is helpful in assessment of the service life of solid fuel systems. (author)

  1. All solid supercapacitor based on polyaniline and crosslinked sulfonated poly[ether ether ketone

    International Nuclear Information System (INIS)

    Sivaraman, P.; Kushwaha, R.K.; Shashidhara, K.; Hande, V.R.; Thakur, A.P.; Samui, A.B.; Khandpekar, M.M.

    2010-01-01

    All solid supercapacitor based on polyaniline (PANI) and crosslinked sulfonated poly[ether ether ketone] (XSPEEK,) is reported in this paper. The crosslinker used for sulfonated poly[ether ether ketone] (SPEEK) is 1,4-bis(hydroxymethyl) benzene. The XSPEEK is used as both solid electrolyte and separator membrane. Supercapacitors are fabricated using various PANI/XSPEEK weight ratios. These are characterized by cyclic voltammetry and galvanostatic charge-discharge studies. The supercapacitor with PANI/XSPEEK weight ratio 1:0.5, exhibit a specific capacitance of 480 F g -1 of PANI. To the best of authors' knowledge, the value reported here is the highest for a supercapacitor based on a proton conducting solid polymer electrolyte and PANI. Detailed electrochemical impedance spectroscopy analysis is carried out. The analysis shows that the complex capacitance of the supercapacitor depends on the XSPEEK content. The time constant (t 0 ), derived from the imaginary part of complex capacitance decreases with increase in the XSPEEK content in the supercapacitor. Cycle life characteristics of the supercapacitor show a decrease in specific capacitance during initial cycles and get stabilized during later cycles.

  2. A computational and cellular solids approach to the stiffness-based design of bone scaffolds.

    Science.gov (United States)

    Norato, J A; Wagoner Johnson, A J

    2011-09-01

    We derive a cellular solids approach to the design of bone scaffolds for stiffness and pore size. Specifically, we focus on scaffolds made of stacked, alternating, orthogonal layers of hydroxyapatite rods, such as those obtained via micro-robotic deposition, and aim to determine the rod diameter, spacing and overlap required to obtain specified elastic moduli and pore size. To validate and calibrate the cellular solids model, we employ a finite element model and determine the effective scaffold moduli via numerical homogenization. In order to perform an efficient, automated execution of the numerical studies, we employ a geometry projection method so that analyses corresponding to different scaffold dimensions can be performed on a fixed, non-conforming mesh. Based on the developed model, we provide design charts to aid in the selection of rod diameter, spacing and overlap to be used in the robotic deposition to attain desired elastic moduli and pore size.

  3. Synthesis of methyl esters from waste cooking oil using construction waste material as solid base catalyst.

    Science.gov (United States)

    Balakrishnan, K; Olutoye, M A; Hameed, B H

    2013-01-01

    The current research investigates synthesis of methyl esters by transesterification of waste cooking oil in a heterogeneous system, using barium meliorated construction site waste marble as solid base catalyst. The pretreated catalyst was calcined at 830 °C for 4h prior to its activity test to obtained solid oxide characterized by scanning electron microscopy/energy dispersive spectroscopy, BET surface area and pore size measurement. It was found that the as prepared catalyst has large pores which contributed to its high activity in transesterification reaction. The methyl ester yield of 88% was obtained when the methanol/oil molar ratio was 9:1, reaction temperature at 65 °C, reaction time 3h and catalyst/oil mass ratio of 3.0 wt.%. The catalyst can be reused over three cycles, offer low operating conditions, reduce energy consumption and waste generation in the production of biodiesel. Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. Nitridated fibrous silica (KCC-1) as a sustainable solid base nanocatalyst

    KAUST Repository

    Bouhrara, Mohamed; Ranga, Chanakya; Fihri, Aziz; Shaikh, Rafik; Sarawade, Pradip; Emwas, Abdul-Hamid M.; Hedhili, Mohamed N.; Polshettiwar, Vivek

    2013-01-01

    We observed that support morphology has dramatic effects on the performance of nitridated silica as a base. By simply replacing conventional silica supports (such as SBA-15 and MCM-41) with fibrous nanosilica (KCC-1), we observed multifold enhancement in the catalytic activity of the nitridated solid base for Knoevenagel condensations and transesterification reactions. This enhancement of the activity can be explained by amine accessibility, which is excellent in KCC-1 due to its open and flexible fibrous structure, that facilitates penetration and interaction with basic amine sites. © 2013 American Chemical Society.

  5. Theory of normal and superconducting properties of fullerene-based solids

    International Nuclear Information System (INIS)

    Cohen, M.L.

    1992-10-01

    Recent experiments on the normal-state and superconducting properties of fullerene-based solids are used to constrain the proposal theories of the electronic nature of these materials. In general, models of superconductivity based on electron pairing induced by phonons are consistent with electronic band theory. The latter experiments also yield estimates of the parameters characterizing these type H superconductors. It is argued that, at this point, a ''standard model'' of phonons interacting with itinerant electrons may be a good first approximation for explaining the properties of the metallic fullerenes

  6. Nitridated fibrous silica (KCC-1) as a sustainable solid base nanocatalyst

    KAUST Repository

    Bouhrara, Mohamed

    2013-09-03

    We observed that support morphology has dramatic effects on the performance of nitridated silica as a base. By simply replacing conventional silica supports (such as SBA-15 and MCM-41) with fibrous nanosilica (KCC-1), we observed multifold enhancement in the catalytic activity of the nitridated solid base for Knoevenagel condensations and transesterification reactions. This enhancement of the activity can be explained by amine accessibility, which is excellent in KCC-1 due to its open and flexible fibrous structure, that facilitates penetration and interaction with basic amine sites. © 2013 American Chemical Society.

  7. A Theoretical Framework for Soft-Information-Based Synchronization in Iterative (Turbo Receivers

    Directory of Open Access Journals (Sweden)

    Lottici Vincenzo

    2005-01-01

    Full Text Available This contribution considers turbo synchronization, that is to say, the use of soft data information to estimate parameters like carrier phase, frequency, or timing offsets of a modulated signal within an iterative data demodulator. In turbo synchronization, the receiver exploits the soft decisions computed at each turbo decoding iteration to provide a reliable estimate of some signal parameters. The aim of our paper is to show that such "turbo-estimation" approach can be regarded as a special case of the expectation-maximization (EM algorithm. This leads to a general theoretical framework for turbo synchronization that allows to derive parameter estimation procedures for carrier phase and frequency offset, as well as for timing offset and signal amplitude. The proposed mathematical framework is illustrated by simulation results reported for the particular case of carrier phase and frequency offsets estimation of a turbo-coded 16-QAM signal.

  8. Theoretical approaches to creation of robotic coal mines based on the synthesis of simulation technologies

    Science.gov (United States)

    Fryanov, V. N.; Pavlova, L. D.; Temlyantsev, M. V.

    2017-09-01

    Methodological approaches to theoretical substantiation of the structure and parameters of robotic coal mines are outlined. The results of mathematical and numerical modeling revealed the features of manifestation of geomechanical and gas dynamic processes in the conditions of robotic mines. Technological solutions for the design and manufacture of technical means for robotic mine are adopted using the method of economic and mathematical modeling and in accordance with the current regulatory documents. For a comparative performance evaluation of technological schemes of traditional and robotic mines, methods of cognitive modeling and matrix search for subsystem elements in the synthesis of a complex geotechnological system are applied. It is substantiated that the process of technical re-equipment of a traditional mine with a phased transition to a robotic mine will reduce unit costs by almost 1.5 times with a significant social effect due to a reduction in the number of personnel engaged in hazardous work.

  9. Outcome (competency) based education: an exploration of its origins, theoretical basis, and empirical evidence

    DEFF Research Database (Denmark)

    Mørcke, Anne Mette; Dornan, Tim; Eika, Berit

    2013-01-01

    and professional attributes as ‘‘competencies’’. OBE has been adopted by consensus in the face of weak empirical evidence. OBE, which has been advocated for over 50 years, can contribute usefully to defining requisite knowledge and skills, and blueprinting assessments. Its applicability to more complex aspects...... greatest benefits. Our aim was to explore the underpinnings of OBE: its historical origins, theoretical basis, and empirical evidence of its effects in order to answer the question: How can predetermined learning outcomes influence undergraduate medical education? This literature review had three...... components: A review of historical landmarks in the evolution of OBE; a review of conceptual frameworks and theories; and a systematic review of empirical publications from 1999 to 2010 that reported data concerning the effects of learning outcomes on undergraduate medical education. OBE had its origins...

  10. Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: I, theoretical foundations.

    Science.gov (United States)

    Pezzotti, Giuseppe; Zhu, Wenliang; Boffelli, Marco; Adachi, Tetsuya; Ichioka, Hiroaki; Yamamoto, Toshiro; Marunaka, Yoshinori; Kanamura, Narisato

    2015-05-01

    The Raman spectroscopic method has quantitatively been applied to the analysis of local crystallographic orientation in both single-crystal hydroxyapatite and human teeth. Raman selection rules for all the vibrational modes of the hexagonal structure were expanded into explicit functions of Euler angles in space and six Raman tensor elements (RTE). A theoretical treatment has also been put forward according to the orientation distribution function (ODF) formalism, which allows one to resolve the statistical orientation patterns of the nm-sized hydroxyapatite crystallite comprised in the Raman microprobe. Close-form solutions could be obtained for the Euler angles and their statistical distributions resolved with respect to the direction of the average texture axis. Polarized Raman spectra from single-crystalline hydroxyapatite and textured polycrystalline (teeth enamel) samples were compared, and a validation of the proposed Raman method could be obtained through confirming the agreement between RTE values obtained from different samples.

  11. DERIVATIVE OF SET MEASURE FUNCTIONS AND ITS APPLICATION (THEORETICAL BASES OF INVESTMENT OBJECTIVES

    Directory of Open Access Journals (Sweden)

    A. A. Bosov

    2014-04-01

    Full Text Available Purpose. It is necessary to develop the theoretical fundamentals for solving the investment objectives presented in the form of set function as vector optimization tasks or tasks of constrained extremum. Methodology. Set functions and their derivatives of measure are used as research of investment objectives. Necessary condition of set function minimum is proved. In the tasks for constrained extremum the method of Lagrange is used. It is shown that this method can also be used for the set function. It is used the measure for proof, which generalizes the Lebesgue measure, and the concept of set sequence limit is introduced. It is noted that the introduced limit over a measure coincides with the classical Borel limit and can be used in order to prove the existence of derivative from set function over a measure on convergent of sets sequence. Findings. An algorithm of solving the investment objective for constrained extremum in relation to investment objectives was offered. Originality. Scientific novelty lies in the fact that in multivariate objects for constrained extremum one can refuse from immediate enumeration. One can use the proposed algorithm of constructing (selection of options that allow building a convex linear envelope of Pareto solutions. This envelope will let the person who makes a decision (DM, select those options that are "better" from a position of DM, and consider some of the criteria, the formalization of which are difficult or can not be described in mathematical terms. Practical value. Results of the study provide the necessary theoretical substantiation of decision-making in investment objectives, when there is a significant number of an investment objects and immediate enumeration of options is very difficult on time costs even for modern computing techniques.

  12. DFT theoretical investigations of π-conjugated molecules based on thienopyrazine and different acceptor moieties for organic photovoltaic cells

    Directory of Open Access Journals (Sweden)

    Mohammed Bourass

    2016-09-01

    Full Text Available In this work, theoretical study by using the DFT method on eleven conjugated compounds based on thienopyrazine is reported. Different electron side groups were introduced to investigate their effects on the electronic structure; The HOMO, LUMO and Gap energy of these compounds have been calculated and reported in this paper. A systematic theoretical study of such compound has not been reported as we know. Thus, our aim is first, to explore their electronic and spectroscopic properties on the basis of the DFT quantum chemical calculations. Second, we are interested to elucidate the parameters that influence the photovoltaic efficiency toward better understanding of the structure–property relationships. The study of structural, electronic and optical properties for these compounds could help to design more efficient functional photovoltaic organic materials.

  13. Association of Trans-theoretical Model (TTM based Exercise Behavior Change with Body Image Evaluation among Female Iranian Students

    Directory of Open Access Journals (Sweden)

    Sahar Rostami

    2017-03-01

    Full Text Available BackgroundBody image is a determinant of individual attractiveness and physical activity among the young people. This study was aimed to assess the association of Trans-theoretical model based exercise behavior change with body image evaluation among the female Iranian students.Materials and MethodsThis cross-sectional study was conducted in Sanandaj city, Iran in 2016. Using multistage sampling method, a total of 816 high school female students were included in the study. They completed a three-section questionnaire, including demographic information, Trans-theoretical model constructs and body image evaluation. The obtained data were fed into SPSS version 21.0.  ResultsThe results showed more than 60% of participants were in the pre-contemplation and contemplation stages of exercise behavior. The means of perceived self-efficacy, barriers and benefits were found to have a statistically significant difference during the stages of exercise behavior change (P

  14. Theoretical and experimental study of two-frequency solid-state lasers in the GHz to THz ranges. Opto-microwave applications waves

    International Nuclear Information System (INIS)

    Lai, N.D.

    2003-07-01

    We explored some new features of single- and dual-frequency solid-state lasers oscillating in continuous-wave or pulsed regimes. First, we have developed some techniques to optimise the characteristics of pulsed lasers. A weak modulation of the pump power made it possible to obtain a stable repetition rate with a relative stability of 10 -6 . The pulse duration was continuously controlled from ten nanoseconds to a few hundreds nanoseconds by three different methods: adjustment of the laser beam diameter in the absorber, adjustment of the pump beam diameter in the active medium, and, in particular, the use of forked eigenstates in a two-axis laser. Moreover, the forked eigenstates allows to increase the pulse energy by coherent addition of the pulses. A compact two-frequency Nd:YAG-Cr:YAG laser with a beat note frequency continuously adjustable up to 2,7 GHz was demonstrated. The two-frequency pulses are ideal sources to meet various needs of applications such as the Doppler lidar-radar. Moreover, we show that two-frequency pulses at 1,55 μm can be obtained by using a new c-cut Co:ASL saturable absorber in an Er-Yb:glass laser. These pulses are perfectly adapted to free-space detection systems requiring eye safety. The coherence time of the beat note in these lasers was also studied: it is limited by the pulse duration. A new technique of modulating the pump power of a solid-state laser at frequencies close to its relaxation oscillation frequency was studied and made it possible to generate a beat note coherence from pulse to pulse. Frequency conversion techniques using the nonlinear optical effects make it possible to obtain tunable two-frequency sources in the visible spectrum. Green and red two-frequency pulses were obtained by using different conversion techniques, intra-cavity or extra-cavity. A two-frequency THz source in the red spectrum was also obtained by doubling the frequencies of a two-frequency THz Er-Yb:glass laser using a mixed fan-out PPLN crystal

  15. Formulation and Testing of Paraffin-Based Solid Fuels Containing Energetic Additives for Hybrid Rockets

    Science.gov (United States)

    Larson, Daniel B.; Boyer, Eric; Wachs,Trevor; Kuo, Kenneth K.; Story, George

    2012-01-01

    Many approaches have been considered in an effort to improve the regression rate of solid fuels for hybrid rocket applications. One promising method is to use a fuel with a fast burning rate such as paraffin wax; however, additional performance increases to the fuel regression rate are necessary to make the fuel a viable candidate to replace current launch propulsion systems. The addition of energetic and/or nano-sized particles is one way to increase mass-burning rates of the solid fuels and increase the overall performance of the hybrid rocket motor.1,2 Several paraffin-based fuel grains with various energetic additives (e.g., lithium aluminum hydride (LiAlH4) have been cast in an attempt to improve regression rates. There are two major advantages to introducing LiAlH4 additive into the solid fuel matrix: 1) the increased characteristic velocity, 2) decreased dependency of Isp on oxidizer-to-fuel ratio. The testing and characterization of these solid-fuel grains have shown that continued work is necessary to eliminate unburned/unreacted fuel in downstream sections of the test apparatus.3 Changes to the fuel matrix include higher melting point wax and smaller energetic additive particles. The reduction in particle size through various methods can result in more homogeneous grain structure. The higher melting point wax can serve to reduce the melt-layer thickness, allowing the LiAlH4 particles to react closer to the burning surface, thus increasing the heat feedback rate and fuel regression rate. In addition to the formulation of LiAlH4 and paraffin wax solid-fuel grains, liquid additives of triethylaluminum and diisobutylaluminum hydride will be included in this study. Another promising fuel formulation consideration is to incorporate a small percentage of RDX as an additive to paraffin. A novel casting technique will be used by dissolving RDX in a solvent to crystallize the energetic additive. After dissolving the RDX in a solvent chosen for its compatibility

  16. Learning ion-solid interactions hands-on: An activity based, inquiry oriented, graduate course

    International Nuclear Information System (INIS)

    Braunstein, Gabriel

    2005-01-01

    Experimental work, using state of the art instrumentation, is integrated with lectures in a 'real life', learning by discovery approach, in the Ion-Solid Interactions graduate/undergraduate course offered by the Department of Physics of University of Central Florida. The lecture component of the course covers the underlying physical principles, and related scientific and technological applications, associated with the interaction of energetic ions with matter. In the experimental section the students form small groups and perform a variety of projects, experimental and computational, as part of a participative, inquiry oriented, learning process. In the most recent offering of the class, the students deposited a compound semiconductor thin film by dual-gun sputtering deposition, where each group aimed at a different stoichiometry of the same compound (Zn 1-x S x O y ). Then they analyzed the composition using Rutherford backscattering spectrometry, measured electrical transport properties using Hall effect and conductivity measurements, and determined the band gap using spectrophotometry. Finally the groups shared their results and each wrote a 'journal-like' technical article describing the entire work. In a different assignment, each group also developed a Monte Carlo computer program ('TRIM-like') to simulate the penetration of ions into a solid, in ion implantation, calculating the stopping cross-sections with approximate models, taught in class, which can be analytically solved. The combination of classroom/laboratory activities is very well received by the students. They gain real life experience operating state of the art equipment, and working in teams, while performing research-like projects, and simultaneously they learn the theoretical foundations of the discipline

  17. Experimental and Theoretical Investigation of the Function of 4- tert-Butyl Pyridine for Interface Energy Level Adjustment in Efficient Solid-State Dye-Sensitized Solar Cells.

    Science.gov (United States)

    Yang, Lei; Lindblad, Rebecka; Gabrielsson, Erik; Boschloo, Gerrit; Rensmo, Håkan; Sun, Licheng; Hagfeldt, Anders; Edvinsson, Tomas; Johansson, Erik M J

    2018-04-11

    4- tert-Butylpyridine ( t-BP) is commonly used in solid state dye-sensitized solar cells (ssDSSCs) to increase the photovoltaic performance. In this report, the mechanism how t-BP functions as a favorable additive is investigated comprehensively. ssDSSCs were prepared with different concentrations of t-BP, and a clear increase in efficiency was observed up to a maximum concentration and for higher concentrations the efficiency thereafter decreases. The energy level alignment in the complete devices was measured using hard X-ray photoelectron spectroscopy (HAXPES). The results show that the energy levels of titanium dioxide are shifted further away from the energy levels of spiro-OMeTAD as the t-BP concentration is increased. This explains the higher photovoltage obtained in the devices with higher t-BP concentration. In addition, the electron lifetime was measured for the devices and the electron lifetime was increased when adding t-BP, which can be explained by the recombination blocking effect at the surface of TiO 2 . The results from the HAXPES measurements agree with those obtained from density functional theory calculations and give an understanding of the mechanism for the improvement, which is an important step for the future development of solar cells including t-BP.

  18. A high performance flexible all solid state supercapacitor based on the MnO2 sphere coated macro/mesoporous Ni/C electrode and ionic conducting electrolyte

    Science.gov (United States)

    Zhi, Jian; Reiser, Oliver; Wang, Youfu; Hu, Aiguo

    2016-06-01

    A high contact resistance between the active materials and the current collector, a low ionic conductivity of the gel electrolyte, and an impenetrable electrode structure are the three major barriers which greatly limit the capacitance of MnO2 in solid state supercapacitors. As a potential solution to these problems, in this work we report a novel electrode for solid state supercapacitors, based on a ternary system composed of hierarchical MnO2 spheres as the active material, macroporous Ni foam as gel penetrable skeletons and an ordered mesoporous carbon (OMC) membrane as the charge-transport accelerating layer. By employing butyl-3-methylimidazolium chloride (BMIMCl) modified gels as the ionic conducting electrolyte, the utilization efficiency of MnO2 on the specific capacitance was enhanced up to 88% of the theoretical value, delivering a volumetric capacitance of 81 F cm-3, which is the highest value among MnO2 based solid state supercapacitors. Moreover, such a flexible device exhibits exceptional volumetric energy and power density (6.6 Wh L-1 and 549 W L-1, based on the whole device volume) combined with a small capacity loss of 8.5% after 6000 cycles under twisting. These encouraging findings unambiguously overcome the energy bottleneck of MnO2 in solid state supercapacitors, and open up a new application of macro/mesoporous materials in flexible devices.A high contact resistance between the active materials and the current collector, a low ionic conductivity of the gel electrolyte, and an impenetrable electrode structure are the three major barriers which greatly limit the capacitance of MnO2 in solid state supercapacitors. As a potential solution to these problems, in this work we report a novel electrode for solid state supercapacitors, based on a ternary system composed of hierarchical MnO2 spheres as the active material, macroporous Ni foam as gel penetrable skeletons and an ordered mesoporous carbon (OMC) membrane as the charge-transport accelerating

  19. Multi-stability and variable stiffness of cellular solids designed based on origami patterns

    Science.gov (United States)

    Sengupta, Sattam; Li, Suyi

    2017-04-01

    The application of origami-inspired designs to engineered structures and materials has been a subject of much research efforts. These structures and materials, whose mechanical properties are directly related to the geometry of folding, are capable of achieving a host of unique adaptive functions. In this study, we investigate a three-dimensional multistability and variable stiffness function of a cellular solid based on the Miura-Ori folding pattern. The unit cell of such a solid, consisting of two stacked Miura-Ori sheets, can be elastically bistable due to the nonlinear relationship between rigid-folding deformation and crease material bending. Such a bistability possesses an unorthodox property: the critical, unstable configuration lies on the same side of two stable ones, so that two different force-deformation curves co-exist within the same range of deformation. By exploiting such unique stability properties, we can achieve a programmable stiffness change between the two elastically stable states, and the stiffness differences can be prescribed by tailoring the crease patterns of the cell. This paper presents a comprehensive parametric study revealing the correlations between such variable stiffness and various design parameters. The unique properties stemming from the bistability and design of such a unit cell can be advanced further by assembling them into a solid which can be capable of shape morphing and programmable mechanical properties.

  20. Flexible solid-state supercapacitors based on three-dimensional graphene hydrogel films.

    Science.gov (United States)

    Xu, Yuxi; Lin, Zhaoyang; Huang, Xiaoqing; Liu, Yuan; Huang, Yu; Duan, Xiangfeng

    2013-05-28

    Flexible solid-state supercapacitors are of considerable interest as mobile power supply for future flexible electronics. Graphene or carbon nanotubes based thin films have been used to fabricate flexible solid-state supercapacitors with high gravimetric specific capacitances (80-200 F/g), but usually with a rather low overall or areal specific capacitance (3-50 mF/cm(2)) due to the ultrasmall electrode thickness (typically a few micrometers) and ultralow mass loading, which is not desirable for practical applications. Here we report the exploration of a three-dimensional (3D) graphene hydrogel for the fabrication of high-performance solid-state flexible supercapacitors. With a highly interconnected 3D network structure, graphene hydrogel exhibits exceptional electrical conductivity and mechanical robustness to make it an excellent material for flexible energy storage devices. Our studies demonstrate that flexible supercapacitors with a 120 μm thick graphene hydrogel thin film can exhibit excellent capacitive characteristics, including a high gravimetric specific capacitance of 186 F/g (up to 196 F/g for a 42 μm thick electrode), an unprecedented areal specific capacitance of 372 mF/cm(2) (up to 402 mF/cm(2) for a 185 μm thick electrode), low leakage current (10.6 μA), excellent cycling stability, and extraordinary mechanical flexibility. This study demonstrates the exciting potential of 3D graphene macrostructures for high-performance flexible energy storage devices.

  1. Hexahedral connection element based on hybrid-stress theory for solid structures

    International Nuclear Information System (INIS)

    Wu, D; Sze, K Y; Lo, S H

    2010-01-01

    For building structures, high-performance hybrid-stress hexahedral solid elements are excellent choices for modelling joints, beams/columns walls and thick slabs if the exact geometrical representation is required. While it is straight-forward to model beam-column structures of uniform member size with solid hexahedral elements, joining up beams and columns of various cross-sections at a common point proves to be a challenge for structural modelling using hexahedral elements with specified dimensions. In general, the joint has to be decomposed into 27 smaller solid elements to cater for the necessary connection requirements. This will inevitably increase the computational cost and introduce element distortions when elements of different sizes have to be used at the joint. Hexahedral connection elements with arbitrary specified connection interfaces will be an ideal setup to connect structural members of different sizes without increasing the number of elements or introducing highly distorted elements. In this paper, based on the hybrid-stress element theory, a general way to construct hexahedral connection element with various interfaces is introduced. Following this way, a 24-node connection element is presented and discussed in detail. Performance of the 24-node connection element equipped with different number of stress modes will be assessed with worked examples.

  2. Iron based superconductors and related compounds synthesized by solid state metathesis and high temperature reactions

    International Nuclear Information System (INIS)

    Frankovsky, Rainer

    2013-01-01

    The results of this thesis can be divided into three major topics, which can also be seen as different approaches of solid state chemistry to reveal interesting features of known and unknown compounds and to develop alternative synthesis routes. Firstly, known compounds with related structural motifs to the superconducting iron-arsenides were investigated regarding their structural and physical properties. In case of La 3 Pd 4 Ge 4 the influence of Fe doping on the properties was studied, whereas in the series ZrMAs (M=Ti,V) the physical properties have not yet been reported at all and were investigated for the first time. Secondly, an alternative synthesis route has been developed for the synthesis of superconducting LaFeAsO 1-x F x . This solid state metathesis reaction distinctly increased the quality of the samples compared to conventionally prepared products. Furthermore, the reaction pathway was investigated and clarified, which helps to understand the processes during high temperature solid state metathesis reactions in general. Thirdly, this alternative synthesis route was expanded to other systems and new compounds like co-substituted LaFe 1-x Mn x AsO 1-y F y were prepared and thoroughly investigated. This led to a complex study of the interplay of magnetism, electronic and structural conditions and the occurrence of superconducting properties. The investigation and understanding of such complex coherences will probably be decisive for the further understanding of the superconducting mechanism in iron based superconductors.

  3. Palliative Care Use Among Patients With Solid Cancer Tumors: A National Cancer Data Base Study.

    Science.gov (United States)

    Osagiede, Osayande; Colibaseanu, Dorin T; Spaulding, Aaron C; Frank, Ryan D; Merchea, Amit; Kelley, Scott R; Uitti, Ryan J; Ailawadhi, Sikander

    2018-01-01

    Palliative care has been increasingly recognized as an important part of cancer care but remains underutilized in patients with solid cancers. There is a current gap in knowledge regarding why palliative care is underutilized nationwide. To identify the factors associated with palliative care use among deceased patients with solid cancer tumors. Using the 2016 National Cancer Data Base, we identified deceased patients (2004-2013) with breast, colon, lung, melanoma, and prostate cancer. Data were described as percentages. Associations between palliative care use and patient, facility, and geographic characteristics were evaluated through multivariate logistic regression. A total of 1 840 111 patients were analyzed; 9.6% received palliative care. Palliative care use was higher in the following patient groups: survival >24 months (17% vs 2%), male (54% vs 46%), higher Charlson-Deyo comorbidity score (16% vs 8%), treatment at designated cancer programs (74% vs 71%), lung cancer (76% vs 28%), higher grade cancer (53% vs 24%), and stage IV cancer (59% vs 13%). Patients who lived in communities with a greater percentage of high school degrees had higher odds of receiving palliative care; Central and Pacific regions of the United States had lower odds of palliative care use than the East Coast. Patients with colon, melanoma, or prostate cancer had lower odds of palliative care than patients with breast cancer, whereas those with lung cancer had higher odds. Palliative care use in solid cancer tumors is variable, with a preference for patients with lung cancer, younger age, known insurance status, and higher educational level.

  4. Digital image processing based mass flow rate measurement of gas/solid two-phase flow

    Energy Technology Data Exchange (ETDEWEB)

    Song Ding; Peng Lihui; Lu Geng; Yang Shiyuan [Tsinghua National Laboratory for Information Science and Technology, Department of Automation, Tsinghua University, Beijing, 100084 (China); Yan Yong, E-mail: lihuipeng@tsinghua.edu.c [University of Kent, Canterbury, Kent CT2 7NT (United Kingdom)

    2009-02-01

    With the rapid growth of the process industry, pneumatic conveying as a tool for the transportation of a wide variety of pulverized and granular materials has become widespread. In order to improve plant control and operational efficiency, it is essential to know the parameters of the particle flow. This paper presents a digital imaging based method which is capable of measuring multiple flow parameters, including volumetric concentration, velocity and mass flow rate of particles in the gas/solid two phase flow. The measurement system consists of a solid state laser for illumination, a low-cost CCD camera for particle image acquisition and a microcomputer with bespoke software for particle image processing. The measurements of particle velocity and volumetric concentration share the same sensing hardware but use different exposure time and different image processing methods. By controlling the exposure time of the camera a clear image and a motion blurred image are obtained respectively. The clear image is thresholded by OTSU method to identify the particles from the dark background so that the volumetric concentration is determined by calculating the ratio between the particle area and the total area. Particle velocity is derived from the motion blur length, which is estimated from the motion blurred images by using the travelling wave equation method. The mass flow rate of particles is calculated by combining the particle velocity and volumetric concentration. Simulation and experiment results indicate that the proposed method is promising for the measurement of multiple parameters of gas/solid two-phase flow.

  5. Digital image processing based mass flow rate measurement of gas/solid two-phase flow

    International Nuclear Information System (INIS)

    Song Ding; Peng Lihui; Lu Geng; Yang Shiyuan; Yan Yong

    2009-01-01

    With the rapid growth of the process industry, pneumatic conveying as a tool for the transportation of a wide variety of pulverized and granular materials has become widespread. In order to improve plant control and operational efficiency, it is essential to know the parameters of the particle flow. This paper presents a digital imaging based method which is capable of measuring multiple flow parameters, including volumetric concentration, velocity and mass flow rate of particles in the gas/solid two phase flow. The measurement system consists of a solid state laser for illumination, a low-cost CCD camera for particle image acquisition and a microcomputer with bespoke software for particle image processing. The measurements of particle velocity and volumetric concentration share the same sensing hardware but use different exposure time and different image processing methods. By controlling the exposure time of the camera a clear image and a motion blurred image are obtained respectively. The clear image is thresholded by OTSU method to identify the particles from the dark background so that the volumetric concentration is determined by calculating the ratio between the particle area and the total area. Particle velocity is derived from the motion blur length, which is estimated from the motion blurred images by using the travelling wave equation method. The mass flow rate of particles is calculated by combining the particle velocity and volumetric concentration. Simulation and experiment results indicate that the proposed method is promising for the measurement of multiple parameters of gas/solid two-phase flow.

  6. A facile method to prepare a high performance solid-state flexible paper-based supercapacitor

    Energy Technology Data Exchange (ETDEWEB)

    Shieh, Jen-Yu; Zhang, Sheng-Hui; Wu, Cheng-Hung [Institute of Electro-Optical and Materials Science, National Formosa University, 64 Wenhua Road, Huwei, Yunlin 63208, Taiwan (China); Yu, Hsin Her, E-mail: hhyu@nfu.edu.tw [Department of Biotechnology, National Formosa University, 64 Wenhua Road, Huwei, Yunlin 63208, Taiwan (China)

    2014-09-15

    Graphical abstract: A flexible paper-based supercapacitor was assembled into a sandwich structure, which exhibits well-retained triangular-shaped curves. The cycle life stability of this device still retains about 96% of the initial capacitance after 2000 cycles at a scan rate of 400 mV/s. An as-fabricated paper-based supercapacitor could light a red LED well after charging at constant potential of 3 V. - Highlights: • A facile approach is proposed to fabricate paper-based supercapacitors. • Apple pectin is an excellent dispersant for MWCNTs. • Paper provides a strong binding and flexible characteristic for electrode. • A paper-based supercapacitor could light a red LED after charging. • This device shows excellent electrochemical performance and cycling stability. - Abstract: We propose a low cost and simple method to prepare a paper-based supercapacitor in this study. Multi-walled carbon nanotubes (MWCNTs) were dispersed with a pectin solution under an ultrasonic homogenizer. Carbon nanotube suspension was prepared using a centrifuge to eliminate impurities. The dispersed MWCNTs suspension was dropped and dried onto the shallow surface of commercial copy paper. A paper-based conductive paper was formed as the electrodes. The electrical conductivity and dispersed morphology of the paper-based conductive paper were examined by four probes, atomic force microscope (AFM), scanning electron microscope (SEM) and transmission electron microscope (TEM). The solid-state electrolyte was prepared by casting a solution of phosphoric acid and polyvinyl alcohol onto a glass plate. The paper-based supercapacitor was constructed with one solid-state electrolyte inserted between two electrodes, which were assembled into a sandwich structure by hot press. The specific capacitance and cycle-life stability of the paper-based supercapacitor was investigated by cyclic voltammetry analysis.

  7. All-solid-state flexible supercapacitors based on papers coated with carbon nanotubes and ionic-liquid-based gel electrolytes

    International Nuclear Information System (INIS)

    Kang, Yu Jin; Kim, Woong; Chung, Haegeun; Han, Chi-Hwan

    2012-01-01

    All-solid-state flexible supercapacitors were fabricated using carbon nanotubes (CNTs), regular office papers, and ionic-liquid-based gel electrolytes. Flexible electrodes were made by coating CNTs on office papers by a drop-dry method. The gel electrolyte was prepared by mixing fumed silica nanopowders with ionic liquid, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf 2 ]). This supercapacitor showed high power and energy performance as a solid-state flexible supercapacitor. The specific capacitance of the CNT electrodes was 135 F g −1 at a current density of 2 A g −1 , when considering the mass of active materials only. The maximum power and energy density of the supercapacitors were 164 kW kg −1 and 41 Wh kg −1 , respectively. Interestingly, the solid-state supercapacitor with the gel electrolyte showed comparable performance to the supercapacitors with ionic-liquid electrolyte. Moreover, the supercapacitor showed excellent stability and flexibility. The CNT/paper- and gel-based supercapacitors may hold great potential for low-cost and high-performance flexible energy storage applications. (paper)

  8. Laundry Detergency of Solid Non-Particulate Soil Using Microemulsion-Based Formulation.

    Science.gov (United States)

    Chanwattanakit, Jarussri; Chavadej, Sumaeth

    2018-02-01

    Laundry detergency of solid non-particulate soil on polyester and cotton was investigated using a microemulsion-based formulation, consisting of an anionic extended surfactant (C 12,13 -4PO-SO 4 Na) and sodium mono-and di-methyl naphthalene sulfonate (SMDNS) as the hydrophilic linker, to provide a Winsor Type III microemulsion with an ultralow interfacial tension (IFT). In this work, methyl palmitate (palmitic acid methyl ester) having a melting point around 30°C, was used as a model solid non-particulate (waxy) soil. A total surfactant concentration of 0.35 wt% of the selected formulation (4:0.65 weight ratio of C 12,13 -4PO-SO 4 Na:SMDNS) with 5.3 wt% NaCl was able to form a middle phase microemulsion at a high temperature (40°C),which provided the highest oil removal level with the lowest oil redeposition and the lowest IFT, and was much higher than that with a commercial detergent or de-ionized water. Most of the detached oil, whether in liquid or solid state, was in an unsolubilized form. Hence, the dispersion stability of the detached oil droplets or solidified oil particles that resulted from the surfactant adsorption played an important role in the oil redeposition. For an oily detergency, the lower the system IFT, the higher the oil removal whereas for a waxy (non-particulate) soil detergency, the lower the contact angle, the higher the solidified oil removal. For a liquefied oil, the detergency mechanism was roll up and emulsification with dispersion stability, while that for the waxy soil (solid oil) was the detachment by wettability with dispersion stability.

  9. A solid-contact pH-selective electrode based on tridodecylamine as hydrogen neutral ionophore

    Science.gov (United States)

    Zhang, Jianxin; Guo, Yixuan; Li, Shangjin; Xu, Hui

    2016-10-01

    The solid-state pH electrode has the potential possibility to be used in many extreme situations with satisfactory accuracy and low cost. But its performance is affected by the solid electrolyte, preparation process, and the structure of the sensitive membrane, etc. In this work, the relationships between these factors and the characteristic of the prepared electrode were verified by controlling the preparation conditions with a variety of electrochemical methods. Firstly, the solid electrolyte poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) (PEDOT/PSS) was electrochemically deposited on the screen-printed carbon electrode (SPCE) substrate by a potentiostatic method in an aqueous solution containing 0.01 M 3,4-ethylenedioxythiophene (EDOT) and 0.1 M polystyrene sulfonic (PSS) acid as the supporting electrolyte. The PEDOT films were then characterized by cyclic voltammetry (CV) in the 0.1 M NaNO3 aqueous solution in order to obtain the optimized polymerization potential and charges where the PEDOT film would have a higher redox capacitance. Finally, the pH electrode was prepared by coating the SPCE/PEDOT(PSS) with a plasticized polyvinyl chloride (PVC) membrane containing tridodecylamine as hydrogen ionophore manually, and experiments were carried out to study the effect of the usage of PVC per square millimeter on the response time and stability of the electrode to optimize the PVC film thickness. The potentiometric response of the pH electrode was studied in the buffer solutions with pH ranging from 5.00 to 10.81 by the open-circuit potential (OCP) method. Experimental results show that the sensitivity of the electrode is  -55.7  ±  0.5 mV pH-1 (r 2  >  0.9980) at room temperature (24  ±  1 °C) with pH ranging from 2.00-10.50, approximating to the theoretical nernstian slope (-59.16 mV pH-1),and the response time was less than 10 s. Moreover, it has low impedance, high accuracy and potential stability as well as some

  10. A solid-contact pH-selective electrode based on tridodecylamine as hydrogen neutral ionophore

    International Nuclear Information System (INIS)

    Zhang, Jianxin; Guo, Yixuan; Li, Shangjin; Xu, Hui

    2016-01-01

    The solid-state pH electrode has the potential possibility to be used in many extreme situations with satisfactory accuracy and low cost. But its performance is affected by the solid electrolyte, preparation process, and the structure of the sensitive membrane, etc. In this work, the relationships between these factors and the characteristic of the prepared electrode were verified by controlling the preparation conditions with a variety of electrochemical methods. Firstly, the solid electrolyte poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonate) (PEDOT/PSS) was electrochemically deposited on the screen-printed carbon electrode (SPCE) substrate by a potentiostatic method in an aqueous solution containing 0.01 M 3,4-ethylenedioxythiophene (EDOT) and 0.1 M polystyrene sulfonic (PSS) acid as the supporting electrolyte. The PEDOT films were then characterized by cyclic voltammetry (CV) in the 0.1 M NaNO3 aqueous solution in order to obtain the optimized polymerization potential and charges where the PEDOT film would have a higher redox capacitance. Finally, the pH electrode was prepared by coating the SPCE/PEDOT(PSS) with a plasticized polyvinyl chloride (PVC) membrane containing tridodecylamine as hydrogen ionophore manually, and experiments were carried out to study the effect of the usage of PVC per square millimeter on the response time and stability of the electrode to optimize the PVC film thickness. The potentiometric response of the pH electrode was studied in the buffer solutions with pH ranging from 5.00 to 10.81 by the open-circuit potential (OCP) method. Experimental results show that the sensitivity of the electrode is  −55.7  ±  0.5 mV pH −1 ( r 2   >  0.9980) at room temperature (24  ±  1 °C) with pH ranging from 2.00–10.50, approximating to the theoretical nernstian slope (−59.16 mV pH −1 ),and the response time was less than 10 s. Moreover, it has low impedance, high accuracy and potential stability

  11. Precise Sequential DNA Ligation on A Solid Substrate: Solid-Based Rapid Sequential Ligation of Multiple DNA Molecules

    Science.gov (United States)

    Takita, Eiji; Kohda, Katsunori; Tomatsu, Hajime; Hanano, Shigeru; Moriya, Kanami; Hosouchi, Tsutomu; Sakurai, Nozomu; Suzuki, Hideyuki; Shinmyo, Atsuhiko; Shibata, Daisuke

    2013-01-01

    Ligation, the joining of DNA fragments, is a fundamental procedure in molecular cloning and is indispensable to the production of genetically modified organisms that can be used for basic research, the applied biosciences, or both. Given that many genes cooperate in various pathways, incorporating multiple gene cassettes in tandem in a transgenic DNA construct for the purpose of genetic modification is often necessary when generating organisms that produce multiple foreign gene products. Here, we describe a novel method, designated PRESSO (precise sequential DNA ligation on a solid substrate), for the tandem ligation of multiple DNA fragments. We amplified donor DNA fragments with non-palindromic ends, and ligated the fragment to acceptor DNA fragments on solid beads. After the final donor DNA fragments, which included vector sequences, were joined to the construct that contained the array of fragments, the ligation product (the construct) was thereby released from the beads via digestion with a rare-cut meganuclease; the freed linear construct was circularized via an intra-molecular ligation. PRESSO allowed us to rapidly and efficiently join multiple genes in an optimized order and orientation. This method can overcome many technical challenges in functional genomics during the post-sequencing generation. PMID:23897972

  12. Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction.

    Science.gov (United States)

    Lyalin, Andrey; Nakayama, Akira; Uosaki, Kohei; Taketsugu, Tetsuya

    2013-02-28

    The catalytic activity for the oxygen reduction reaction (ORR) of both the pristine and defect-possessing hexagonal boron nitride (h-BN) monolayer and H-terminated nanoribbon have been studied theoretically using density functional theory. It is demonstrated that an inert h-BN monolayer can be functionalized and become catalytically active by nitrogen doping. It is shown that the energetics of adsorption of O(2), O, OH, OOH, and H(2)O on N atom impurities in the h-BN monolayer (N(B)@h-BN) is quite similar to that known for a Pt(111) surface. The specific mechanism of destructive and cooperative adsorption of ORR intermediates on the surface point defects is discussed. It is demonstrated that accounting for entropy and zero-point energy (ZPE) corrections results in destabilization of the ORR intermediates adsorbed on N(B)@h-BN, while solvent effects lead to their stabilization. Therefore, entropy, ZPE and solvent effects partly cancel each other and have to be taken into account simultaneously. Analysis of the free energy changes along the ORR pathway allows us to suggest that a N-doped h-BN monolayer can demonstrate catalytic properties for the ORR under the condition that electron transport to the catalytically active center is provided.

  13. Physical Protection System Design Analysis against Insider Threat based on Game Theoretic Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kyo-Nam; Suh, Young-A; Yim, Man-Sung [KAIST, Daejeon (Korea, Republic of); Schneider, Erich [The University of Texas, Austin (United States)

    2015-05-15

    This study explores the use of game-theoretic modeling of physical protection analysis by incorporating the implications of an insider threat. The defender-adversary interaction along with the inclusion of an insider is demonstrated using a simplified test case problem at an experimental fast reactor system. Non-detection probability and travel time are used as a baseline of physical protection parameters in this model. As one of the key features of the model is its ability to choose among security upgrades given the constraints of a budget, the study also performed cost benefit analysis for security upgrades options. In this study, we analyzed the expected adversarial path and security upgrades with a limited budget with insider threat modeled as increasing the non-detection probability. Our test case problem categorized three types of adversary paths assisted by the insider and derived the largest insider threat in terms of the budget for security upgrades. More work needs to be done to incorporate complex dimensions of insider threats, which include but are not limited to: a more realistic mapping of insider threat, accounting for information asymmetry between the adversary, insider, and defenders, and assignment of more pragmatic parameter values.

  14. Theoretical investigation of dielectric corona pre-ionization TEA nitrogen laser based on transmission line method

    Science.gov (United States)

    Bahrampour, Alireza; Fallah, Robabeh; Ganjovi, Alireza A.; Bahrampour, Abolfazl

    2007-07-01

    This paper models the dielectric corona pre-ionization, capacitor transfer type of flat-plane transmission line traveling wave transverse excited atmospheric pressure nitrogen laser by a non-linear lumped RLC electric circuit. The flat-plane transmission line and the pre-ionizer dielectric are modeled by a lumped linear RLC and time-dependent non-linear RC circuit, respectively. The main discharge region is considered as a time-dependent non-linear RLC circuit where its resistance value is also depends on the radiated pre-ionization ultra violet (UV) intensity. The UV radiation is radiated by the resistance due to the surface plasma on the pre-ionizer dielectric. The theoretical predictions are in a very good agreement with the experimental observations. The electric circuit equations (including the ionization rate equations), the equations of laser levels population densities and propagation equation of laser intensities, are solved numerically. As a result, the effects of pre-ionizer dielectric parameters on the electrical behavior and output laser intensity are obtained.

  15. Physical Protection System Design Analysis against Insider Threat based on Game Theoretic Modeling

    International Nuclear Information System (INIS)

    Kim, Kyo-Nam; Suh, Young-A; Yim, Man-Sung; Schneider, Erich

    2015-01-01

    This study explores the use of game-theoretic modeling of physical protection analysis by incorporating the implications of an insider threat. The defender-adversary interaction along with the inclusion of an insider is demonstrated using a simplified test case problem at an experimental fast reactor system. Non-detection probability and travel time are used as a baseline of physical protection parameters in this model. As one of the key features of the model is its ability to choose among security upgrades given the constraints of a budget, the study also performed cost benefit analysis for security upgrades options. In this study, we analyzed the expected adversarial path and security upgrades with a limited budget with insider threat modeled as increasing the non-detection probability. Our test case problem categorized three types of adversary paths assisted by the insider and derived the largest insider threat in terms of the budget for security upgrades. More work needs to be done to incorporate complex dimensions of insider threats, which include but are not limited to: a more realistic mapping of insider threat, accounting for information asymmetry between the adversary, insider, and defenders, and assignment of more pragmatic parameter values

  16. Choosing where to work at work - towards a theoretical model of benefits and risks of activity-based flexible offices.

    Science.gov (United States)

    Wohlers, Christina; Hertel, Guido

    2017-04-01

    Although there is a trend in today's organisations to implement activity-based flexible offices (A-FOs), only a few studies examine consequences of this new office type. Moreover, the underlying mechanisms why A-FOs might lead to different consequences as compared to cellular and open-plan offices are still unclear. This paper introduces a theoretical framework explaining benefits and risks of A-FOs based on theories from work and organisational psychology. After deriving working conditions specific for A-FOs (territoriality, autonomy, privacy, proximity and visibility), differences in working conditions between A-FOs and alternative office types are proposed. Further, we suggest how these differences in working conditions might affect work-related consequences such as well-being, satisfaction, motivation and performance on the individual, the team and the organisational level. Finally, we consider task-related (e.g. task variety), person-related (e.g. personality) and organisational (e.g. leadership) moderators. Based on this model, future research directions as well as practical implications are discussed. Practitioner Summary: Activity-based flexible offices (A-FOs) are popular in today's organisations. This article presents a theoretical model explaining why and when working in an A-FO evokes benefits and risks for individuals, teams and organisations. According to the model, A-FOs are beneficial when management encourages employees to use the environment appropriately and supports teams.

  17. Front tracking based modeling of the solid grain growth on the adaptive control volume grid

    Science.gov (United States)

    Seredyński, Mirosław; Łapka, Piotr

    2017-07-01

    The paper presents the micro-scale model of unconstrained solidification of the grain immersed in under-cooled liquid, based on the front tracking approach. For this length scale, the interface tracked through the domain is meant as the solid-liquid boundary. To prevent generation of huge meshes the energy transport equation is discretized on the adaptive control volume (c.v.) mesh. The coupling of dynamically changing mesh and moving front position is addressed. Preliminary results of simulation of a test case, the growth of single grain, are presented and discussed.

  18. Flexible solid-state supercapacitors based on carbon nanoparticles/MnO2 nanorods hybrid structure.

    Science.gov (United States)

    Yuan, Longyan; Lu, Xi-Hong; Xiao, Xu; Zhai, Teng; Dai, Junjie; Zhang, Fengchao; Hu, Bin; Wang, Xue; Gong, Li; Chen, Jian; Hu, Chenguo; Tong, Yexiang; Zhou, Jun; Wang, Zhong Lin

    2012-01-24

    A highly flexible solid-state supercapacitor was fabricated through a simple flame synthesis method and electrochemical deposition process based on a carbon nanoparticles/MnO(2) nanorods hybrid structure using polyvinyl alcohol/H(3)PO(4) electrolyte. Carbon fabric is used as a current collector and electrode (mechanical support), leading to a simplified, highly flexible, and lightweight architecture. The device exhibited good electrochemical performance with an energy density of 4.8 Wh/kg at a power density of 14 kW/kg, and a demonstration of a practical device is also presented, highlighting the path for its enormous potential in energy management. © 2011 American Chemical Society

  19. Fiber-based all-solid-state flexible supercapacitors for self-powered systems.

    Science.gov (United States)

    Xiao, Xu; Li, Tianqi; Yang, Peihua; Gao, Yuan; Jin, Huanyu; Ni, Weijian; Zhan, Wenhui; Zhang, Xianghui; Cao, Yuanzhi; Zhong, Junwen; Gong, Li; Yen, Wen-Chun; Mai, Wenjie; Chen, Jian; Huo, Kaifu; Chueh, Yu-Lun; Wang, Zhong Lin; Zhou, Jun

    2012-10-23

    All-solid-state flexible supercapacitors based on a carbon/MnO(2) (C/M) core-shell fiber structure were fabricated with high electrochemical performance such as high rate capability with a scan rate up to 20 V s(-1), high volume capacitance of 2.5 F cm(-3), and an energy density of 2.2 × 10(-4) Wh cm(-3). By integrating with a triboelectric generator, supercapacitors could be charged and power commercial electronic devices, such as a liquid crystal display or a light-emitting-diode, demonstrating feasibility as an efficient storage component and self-powered micro/nanosystems.

  20. Highly compressible and all-solid-state supercapacitors based on nanostructured composite sponge.

    Science.gov (United States)

    Niu, Zhiqiang; Zhou, Weiya; Chen, Xiaodong; Chen, Jun; Xie, Sishen

    2015-10-21

    Based on polyaniline-single-walled carbon nanotubes -sponge electrodes, highly compressible all-solid-state supercapacitors are prepared with an integrated configuration using a poly(vinyl alcohol) (PVA)/H2 SO4 gel as the electrolyte. The unique configuration enables the resultant supercapacitors to be compressed as an integrated unit arbitrarily during 60% compressible strain. Furthermore, the performance of the resultant supercapacitors is nearly unchanged even under 60% compressible strain. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Solid State pH Sensor Based on Light Emitting Diodes (LED) As Detector Platform

    OpenAIRE

    Lau, King Tong; Shepherd, R.; Diamond, Danny; Diamond, Dermot

    2006-01-01

    A low-power, high sensitivity, very low-cost light emitting diode (LED)-based device developed for low-cost sensor networks was modified with bromocresol green membrane to work as a solid-state pH sensor. In this approach, a reverse-biased LED functioning as a photodiode is coupled with a second LED configured in conventional emission mode. A simple timer circuit measures how long (in microsecond) it takes for the photocurrent generated on the detector LED to discharge its capacitance from lo...

  2. Design of robotic cells based on relative handling modules with use of SolidWorks system

    Science.gov (United States)

    Gaponenko, E. V.; Anciferov, S. I.

    2018-05-01

    The article presents a diagramed engineering solution for a robotic cell with six degrees of freedom for machining of complex details, consisting of the base with a tool installation module and a detail machining module made as parallel structure mechanisms. The output links of the detail machining module and the tool installation module can move along X-Y-Z coordinate axes each. A 3D-model of the complex is designed in the SolidWorks system. It will be used further for carrying out engineering calculations and mathematical analysis and obtaining all required documentation.

  3. Development and Validation of a Theoretically Based, Multidimensional Questionnaire of Student Evaluation of University Teaching

    Science.gov (United States)

    Lemos, M. S.; Queiros, C.; Teixeira, P. M.; Menezes, I.

    2011-01-01

    The authors describe the development and validation of a multidimensional instrument of students' evaluation of university teaching (the Pedagogical Questionnaire of the University of Porto). The goal was to develop an instrument based on a sound psychometric analysis and simultaneously supported by the learning theory. Based on the data from 4875…

  4. Development of novel sibutramine base-loaded solid dispersion with gelatin and HPMC: physicochemical characterization and pharmacokinetics in beagle dogs.

    Science.gov (United States)

    Lim, Hyun-Tae; Balakrishnan, Prabagar; Oh, Dong Hoon; Joe, Kwan Hyung; Kim, Young Ran; Hwang, Doo Hyung; Lee, Yong-Bok; Yong, Chul Soon; Choi, Han-Gon

    2010-09-15

    To develop a novel sibutramine base-loaded solid dispersion with enhanced solubility and bioavailability, various solid dispersions were prepared using a spray drying technique with hydrophilic polymers such as gelatin, HPMC and citric acid. Their solubility, thermal characteristics and crystallinity were investigated. The dissolution and pharmacokinetics of the sibutramine base-loaded solid dispersion were then compared with a sibutramine hydrochloride monohydrate-loaded commercial product (Reductil). The solid dispersions prepared with gelatin gave higher drug solubility than those prepared without gelatin, irrespective of the amount of polymer. The sibutramine base-loaded solid dispersions containing hydrophilic polymer and citric acid showed higher drug solubility compared to sibutramine base and sibutramine hydrochloride monohydrate. Among the formulations tested, the solid dispersion composed of sibutramine base/gelatin/HPMC/citric acid at the weight ratio of 1/0.8/0.2/0.5 gave the highest solubility of 5.03+/-0.24 mg/ml. Our DSC and powder X-ray diffraction results showed that the drug was present in an altered amorphous form in this solid dispersion. The difference factor (f(1)) values between solid dispersion and commercial product were 2.82, 6.65 and 6.31 at pH 1.2, 4.0 and 6.8, respectively. Furthermore, they had the similarity factor (f(2)) value of 65.68, 53.43 and 58.97 at pH 1.2, 4.0 and 6.8, respectively. Our results suggested that the solid dispersion and commercial product produced a similar correlation of dissolution profiles at all pH ranges. The AUC, C(max) and T(max) of the parent drug and metabolite I and II from the solid dispersion were not significantly different from those of the commercial product, suggesting that the solid dispersion might be bioequivalent to the commercial product in beagle dogs. Thus, the sibutramine base-loaded solid dispersion prepared with gelatin, HPMC and citric acid is a promising candidate for improving the

  5. Consumers’ Acceptance and Use of Information and Communications Technology: A UTAUT and Flow Based Theoretical Model

    Directory of Open Access Journals (Sweden)

    Saleh Alwahaishi

    2013-03-01

    Full Text Available The world has changed a lot in the past years. The rapid advances in technology and the changing of the communication channels have changed the way people work and, for many, where do they work from. The Internet and mobile technology, the two most dynamic technological forces in modern information and communications technology (ICT are converging into one ubiquitous mobile Internet service, which will change our way of both doing business and dealing with our daily routine activities. As the use of ICT expands globally, there is need for further research into cultural aspects and implications of ICT. The acceptance of Information Technology (IT has become a fundamental part of the research plan for most organizations (Igbaria 1993. In IT research, numerous theories are used to understand users’ adoption of new technologies. Various models were developed including the Technology Acceptance Model, Theory of Reasoned Action, Theory of Planned Behavior, and recently, the Unified Theory of Acceptance and Use of Technology. Each of these models has sought to identify the factors which influence a citizen’s intention or actual use of information technology. Drawing on the UTAUT model and Flow Theory, this research composes a new hybrid theoretical framework to identify the factors affecting the acceptance and use of Mobile Internet -as an ICT application- in a consumer context. The proposed model incorporates eight constructs: Performance Expectancy, Effort Expectancy, Facilitating Conditions, Social Influences, Perceived Value, Perceived Playfulness, Attention Focus, and Behavioral intention. Data collected online from 238 respondents in Saudi Arabia were tested against the research model, using the structural equation modeling approach. The proposed model was mostly supported by the empirical data. The findings of this study provide several crucial implications for ICT and, in particular, mobile Internet service practitioners and researchers

  6. A theoretical investigation of spectra utilization for a CMOS based indirect detector for dual energy applications

    International Nuclear Information System (INIS)

    Kalyvas, N; Michail, C; Valais, I; Kandarakis, I; Fountos, G; Martini, N; Koukou, V; Sotiropoulou, P

    2015-01-01

    Dual Energy imaging is a promising method for visualizing masses and microcalcifications in digital mammography. Currently commercially available detectors may be suitable for dual energy mammographic applications. The scope of this work was to theoretically examine the performance of the Radeye CMOS digital indirect detector under three low- and high-energy spectral pairs. The detector was modeled through the linear system theory. The pixel size was equal to 22.5μm and the phosphor material of the detector was a 33.9 mg/cm 2 Gd 2 O 2 S:Tb phosphor screen. The examined spectral pairs were (i) a 40kV W/Ag (0.01cm) and a 70kV W/Cu (0.1cm) target/filter combinations, (ii) a 40kV W/Cd (0.013cm) and a 70kV W/Cu (0.1cm) target/filter combinations and (iii) a 40kV W/Pd (0.008cm) and a 70kV W/Cu (0.1cm) target/filter combinations. For each combination the Detective Quantum Efficiency (DQE), showing the signal to noise ratio transfer, the detector optical gain (DOG), showing the sensitivity of the detector and the coefficient of variation (CV) of the detector output signal were calculated. The second combination exhibited slightly higher DOG (326 photons per X-ray) and lower CV (0.755%) values. In terms of electron output from the RadEye CMOS, the first two combinations demonstrated comparable DQE values; however the second combination provided an increase of 6.5% in the electron output. (paper)

  7. N,N′-Dipyridoxyl(1,8-diamino-3,6-dioxaoctane Schiff-base: Synthesis, experimental and theoretical identification

    Directory of Open Access Journals (Sweden)

    M.J. Khoshkholgh

    2013-05-01

    Full Text Available The N,N′-dipyridoxyl(1,8-diamino-3,6-dioxaoctane (=H2L Schiff-base has been synthesized and characterized by IR, 1H NMR, mass spectrometry and elemental analysis. Its optimized geometry and theoretical vibrational frequencies have been computed using density functional theory (DFT method via the B3LYP functional. Also, its 1H and 13C NMR chemical shifts have been calculated at the same computational level. In optimized geometry of the H2L, the two pyridine rings are perpendicular to each other. The phenolic hydrogens are engaged in intramolecular-hydrogen bonds with the azomethine nitrogens.

  8. Design of an SolidWorks-based household substrate cultivation device

    Science.gov (United States)

    Yi, Guo; Yueying, Wang

    2018-03-01

    Rapid urbanization has caused increasingly severe environmental problems and smaller tillable land area. Even worse, negative reports on vegetable production are repeatedly found. In this case, home gardening has become an inexorable trend. To meet demand for vegetable cultivation in the home environment, an SolidWorks-based household substrate cultivation device has been designed. This device is composed of the cultivation tank, upright post, base, irrigation system, supplemental lighting system and control system. The household substrate cultivation device manufactured based on the design results has shown in practice that this device features an esthetic appearance, low cost, automatic irrigation and lighting supplementation, good vegetable growing conditions, full of ornamental value and practicability and thus is suitable for vegetable growing in the home environment. Hence it has a higher promotion value in the home gardening field.

  9. Alkali Influence on Synthesis of Solid Electrolyte Based on Alkali Nitrate-Alumina

    International Nuclear Information System (INIS)

    Yustinus Purwamargapratala; Purnama, S.; Purwanto, P.

    2008-01-01

    Research of solid electrolyte based on alumina with addition of alkali materials of barium nitrate, calcium nitrate, sodium nitrate and lithium nitrate has been done. Aluminium hydroxide and alkali nitrate were mixed in mole ratio of 1 : 1 in water media and pyrolyzed at 300 o C for 1 hour Pyrolysis result were then mixed with alumina in mole ratio of 1 : 1, compacted and heated at 600 o C for 3 hours. To characterize the sample, XRD (X-Ray Diffractometers) and LCR meter (impedance, capacitance, and resistance) were used for analysis the phase and conductivity properties. The result showed formation of alkali-aluminate in which Li-base have the highest room temperature conductivity of 3.1290 x 10 -5 S.cm -1 , while Ba-base have the lowest conductivity of 5.7266 x 10 -8 S.cm -1 . (author)

  10. DNA bases assembled on the Au(110)/electrolyte interface: A combined experimental and theoretical study

    DEFF Research Database (Denmark)

    Salvatore, Princia; Nazmutdinov, Renat R.; Ulstrup, Jens

    2015-01-01

    Among the low-index single-crystal gold surfaces, the Au(110) surface is the most active toward molecular adsorption and the one with fewest electrochemical adsorption data reported. Cyclic voltammetry (CV), electrochemically controlled scanning tunneling microscopy (EC-STM), and density functional......, accompanied by a pair of strong voltammetry peaks in the double-layer region in acid solutions. Adsorption of the DNA bases gives featureless voltammograms with lower double-layer capacitance, suggesting that all the bases are chemisorbed on the Au(110) surface. Further investigation of the surface structures...... of the adlayers of the four DNA bases by EC-STM disclosed lifting of the Au(110) reconstruction, specific molecular packing in dense monolayers, and pH dependence of the A and G adsorption. DFT computations based on a cluster model for the Au(110) surface were performed to investigate the adsorption energy...

  11. A communication theoretical analysis of FRET-based mobile ad hoc molecular nanonetworks.

    Science.gov (United States)

    Kuscu, Murat; Akan, Ozgur B

    2014-09-01

    Nanonetworks refer to a group of nanosized machines with very basic operational capabilities communicating to each other in order to accomplish more complex tasks such as in-body drug delivery, or chemical defense. Realizing reliable and high-rate communication between these nanomachines is a fundamental problem for the practicality of these nanonetworks. Recently, we have proposed a molecular communication method based on Förster Resonance Energy Transfer (FRET) which is a nonradiative excited state energy transfer phenomenon observed among fluorescent molecules, i.e., fluorophores. We have modeled the FRET-based communication channel considering the fluorophores as single-molecular immobile nanomachines, and shown its reliability at high rates, and practicality at the current stage of nanotechnology. In this study, for the first time in the literature, we investigate the network of mobile nanomachines communicating through FRET. We introduce two novel mobile molecular nanonetworks: FRET-based mobile molecular sensor/actor nanonetwork (FRET-MSAN) which is a distributed system of mobile fluorophores acting as sensor or actor node; and FRET-based mobile ad hoc molecular nanonetwork (FRET-MAMNET) which consists of fluorophore-based nanotransmitter, nanoreceivers and nanorelays. We model the single message propagation based on birth-death processes with continuous time Markov chains. We evaluate the performance of FRET-MSAN and FRET-MAMNET in terms of successful transmission probability and mean extinction time of the messages, system throughput, channel capacity and achievable communication rates.

  12. Low temperature electrochemical cells with sodium β″-alumina solid electrolyte (BASE)

    Science.gov (United States)

    Girija, T. C.; Virkar, Anil V.

    Cells of Daniell-type with copper-zinc electrochemical couples and sodium β″-alumina solid electrolyte (BASE) were constructed. The cathode consisted of copper in contact with its ions (Cu/Cu 2+) while zinc in contact with its ions (Zn/Zn 2+) constituted the anode. Dimethyl sulfoxide (DMSO) containing 1 M NaBF 4 was used as the liquid electrolyte. The configuration of the cell constructed can be written as follows: Zn(s)/ZnCl 2(DMSO)(0.1 M), NaBF 4(1 M)/BASE/NaBF 4(1 M), CuCl 2(DMSO)(0.1 M)/Cu(s). The cell was subjected to charge-discharge cycles at 100 °C. The BASE discs were found to be stable even after the cell was subjected to several electrochemical charge-discharge cycles. Cells were also constructed using BASE discs with porous BASE surface layers introduced to lower the interfacial resistance. Cells with surface modified BASE exhibited a lower resistance in comparison to those using unmodified BASE. XRD and SEM analyses indicated that no detectable degradation of BASE discs occurred after cell testing. Preliminary cell tests were also conducted with NaCF 3SO 3 in place of NaBF 4.

  13. Low temperature electrochemical cells with sodium {beta}''-alumina solid electrolyte (BASE)

    Energy Technology Data Exchange (ETDEWEB)

    Girija, T.C.; Virkar, Anil V. [Department of Materials Science and Engineering, 122 S. Central Campus Drive, University of Utah, Salt Lake City, UT 84112 (United States)

    2008-05-15

    Cells of Daniell-type with copper-zinc electrochemical couples and sodium {beta}''-alumina solid electrolyte (BASE) were constructed. The cathode consisted of copper in contact with its ions (Cu/Cu{sup 2+}) while zinc in contact with its ions (Zn/Zn{sup 2+}) constituted the anode. Dimethyl sulfoxide (DMSO) containing 1 M NaBF{sub 4} was used as the liquid electrolyte. The configuration of the cell constructed can be written as follows: Zn(s)/ZnCl{sub 2}(DMSO)(0.1 M), NaBF{sub 4}(1 M)/BASE/NaBF{sub 4}(1 M), CuCl{sub 2}(DMSO)(0.1 M)/Cu(s) The cell was subjected to charge-discharge cycles at 100 C. The BASE discs were found to be stable even after the cell was subjected to several electrochemical charge-discharge cycles. Cells were also constructed using BASE discs with porous BASE surface layers introduced to lower the interfacial resistance. Cells with surface modified BASE exhibited a lower resistance in comparison to those using unmodified BASE. XRD and SEM analyses indicated that no detectable degradation of BASE discs occurred after cell testing. Preliminary cell tests were also conducted with NaCF{sub 3}SO{sub 3} in place of NaBF{sub 4}. (author)

  14. [Preparation, quality control and thyroid molecule imaging of solid-target based radionuclide ioine-124].

    Science.gov (United States)

    Zhu, H; Wang, F; Guo, X Y; Li, L Q; Duan, D B; Liu, Z B; Yang, Z

    2018-04-18

    To provide useful information for the further production and application of this novel radio-nuclide for potential clinical application. 124 Te (p,n) 124 I nuclide reaction was used for the 124 I production. Firstly, the target material, 124 TeO 2 (200 mg) and Al2O3 (30 mg) mixture, were compressed into the round platinum based solid target by tablet device. HM-20 medical cyclotron was applied to irradiate the solid target slice for 6-10 h with helium and water cooling. Then, the radiated solid target was placed for 12 h (overnight) to decay the radioactive impurity; finally, 124 I was be purified by dry distillation using 1 mL/min nitrogen for about 6 hours and radiochemical separation methods. Micro-PET imaging studies were performed to investigate the metabolism properties and thyroid imaging ability of 124 I.After 740 kBq 124 I was injected intravenously into the tail vein of the normal mice, the animals were imaged with micro-PET and infused with CT. The micro-PET/CT infusion imaging revealed actual state 124 I's metabolism in the mice. It was been successfully applied for 200 mg 124 TeO 2 plating by the tablet device on the surface of platinum. It showed smooth, dense surface and without obviously pits and cracks. The enriched 124 Te target was irradiated for 6 to 10 hours at about 12.0 MeV with 20 μA current on HM-20 cyclotron. Then 370-1 110 MBq 124 I could be produced on the solid target after irradiation and 370-740 MBq high specific activity could be collected afterdry distillation separation and radio-chemical purification. 124 I product was finally dissolved in 0.01 mol/L NaOH for the future distribution. The gamma spectrum of the produced 124 I-solution showed that radionuclide purity was over 80.0%. The micro-PET imaging of 124 I in the normal mice exhibited the thyroid and stomach accumulations and kidney metabolism, the bladder could also be clearly visible, which was in accordance with what was previously reported. To the best of our knowledge

  15. EVIDENCE-BASED ASSESSMENT OF VOICE DISORDERS: A THEORETICAL OVERVIEW AND MODEL

    Directory of Open Access Journals (Sweden)

    Dobrinka GEORGIEVA

    2011-04-01

    Full Text Available This article deals with the current paradigm of evidence-based practices of the Speech Therapy (Speech language pathology, especially diagnosing based on evidences of voice disorders. One of the main goals of this article is to define voice disorders according to the World Health Organization’s ICF multidimensional concept. Using a comparative method, this study attempts to prove that traditionally, the assessment outcomes of voice disorders in the Speech Therapy have been largely based on the speech therapist’s point of view and never on the client’s position. The research insists on establishing and adopting definitive gold standards, with respect to voice assessment and therapy in Bulgaria.

  16. Solid-state supercapacitors with ionic liquid based gel polymer electrolyte: Effect of lithium salt addition

    Science.gov (United States)

    Pandey, G. P.; Hashmi, S. A.

    2013-12-01

    Performance characteristics of the solid-state supercapacitors fabricated with ionic liquid (IL) incorporated gel polymer electrolyte and acid treated multiwalled carbon nanotube (MWCNT) electrodes have been studied. The effect of Li-salt (LiPF6) addition in the IL (1-ethyl-3-methylimidazolium tris(pentafluoroethyl) trifluorophosphate, EMImFAP) based gel electrolyte on the performance of supercapacitors has been specifically investigated. The LiPF6/IL/poly(vinylidine fluoride-co-hexafluoropropylene) (PVdF-HFP) gel electrolyte film possesses excellent electrochemical window of 4 V (from -2.0 to 2.0 V), high ionic conductivity ∼2.6 × 10-3 S cm-1 at 20 °C and high enough thermal stability. The comparative performance of supercapacitors employing electrolytes with and without lithium salt has been evaluated by impedance spectroscopy and cyclic voltammetric studies. The acid-treated MWCNT electrodes show specific capacitance of ∼127 F g-1 with IL/LiPF6 containing gel polymer electrolyte as compared to that with the gel polymer electrolyte without Li-salt, showing the value of ∼76 F g-1. The long cycling stability of the solid state supercapacitor based on the Li-salt containing gel polymer electrolyte confirms the electrochemical stability of the electrolyte.

  17. Irradiation and accretion of solids in space based on observations of lunar rocks and grains

    International Nuclear Information System (INIS)

    Lal, D.

    1977-01-01

    Clues to a wide range of questions relating to the origin and evolution of the solar system and dynamic physical and electromagnetic processes occurring concurrently and in the past in our galaxy have been provided by a study of the lunar samples. This information is deduced from a variety of complementary physical and chemical evidence. In this presentation greatest emphasis is laid on information based on effects arising from interactions of low energy cosmic rays with lunar surface materials. The present discussions concern the nature of experimental data to date and implications thereof to the charged particle environment of the Moon, ancient magnetic fields and the nature of time scales involved in the irradiation and accretion of solids in space, based on lunar regolith dynamics. It becomes clear that there does not yet exist any consensus on the absolute values of charged particle or the meteorite fluxes, and also about the details of the evolution of the lunar regolith. The complex history of evolution of lunar material is slowly being understood and it is hoped that a great deal of quantitative information will soon be available which will in turn allow discussion of evolution of solid bodies in the solar system. (author)

  18. Pyridinium ionic liquid-based liquid-solid extraction of inorganic and organic iodine from Laminaria.

    Science.gov (United States)

    Peng, Li-Qing; Yu, Wen-Yan; Xu, Jing-Jing; Cao, Jun

    2018-01-15

    A simple, green and effective extraction method, namely, pyridinium ionic liquid- (IL) based liquid-solid extraction (LSE), was first designed to extract the main inorganic and organic iodine compounds (I - , monoiodo-tyrosine (MIT) and diiodo-tyrosine (DIT)). The optimal extraction conditions were as follows: ultrasonic intensity 100W, IL ([EPy]Br) concentration 200mM, extraction time 30min, liquid/solid ratio 10mL/g, and pH value 6.5. The morphologies of Laminaria were studied by scanning electron microscopy and transmission electron microscopy. The recovery values of I - , MIT and DIT from Laminaria were in the range of 88% to 94%, and limits of detection were in the range of 59.40 to 283.6ng/g. The proposed method was applied to the extraction and determination of iodine compounds in three Laminaria. The results showed that IL-based LSE could be a promising method for rapid extraction of bioactive iodine from complex food matrices. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Four Thermochromic o-Hydroxy Schiff Bases of α-Aminodiphenylmethane: Solution and Solid State Study

    Directory of Open Access Journals (Sweden)

    Marija Zbačnik

    2017-01-01

    Full Text Available More than a hundred years after the first studies of the photo- and thermochromism of o-hydroxy Schiff bases (imines, it is still an intriguing topic that fascinates several research groups around the world. The reasons for such behavior are still under investigation, and this work is a part of it. We report the solution-based and mechanochemical synthesis of four o-hydroxy imines derived from α-aminodiphenylmethane. The thermochromic properties were studied for the single crystal and polycrystalline samples of the imines. The supramolecular impact on the keto-enol tautomerism in the solid state was studied using SCXRD and NMR, while NMR spectroscopy was used for the solution state. All four imines are thermochromic, although the color changes of the single crystals are not as strong as of the polycrystalline samples. One of the imines shows negative thermochromism, and that one is in keto-amine tautomeric form, both in the solid state as in solution.

  20. Stakeholder-based SWOT analysis for successful municipal solid waste management in Lucknow, India.

    Science.gov (United States)

    Srivastava, P K; Kulshreshtha, K; Mohanty, C S; Pushpangadan, P; Singh, A

    2005-01-01

    The present investigation is a case study of Lucknow, the main metropolis in Northern India, which succumbs to a major problem of municipal solid waste and its management. A qualitative investigation using strengths, weaknesses, opportunities and threats analysis (SWOT) has been successfully implemented through this community participation study. This qualitative investigation emphasizes the limited capabilities of the municipal corporation's resources to provide proper facilitation of the municipal solid waste management (MSWM) services without community participation in Lucknow city. The SWOT analysis was performed to formulate strategic action plans for MSWM in order to mobilize and utilize the community resources on the one hand and municipal corporation's resources on the other. It has allowed the introduction of a participatory approach for better collaboration between the community and municipal corporation in Lucknow (India). With this stakeholder-based SWOT analysis, efforts were made to explore the ways and means of converting the possible "threats" into "opportunities" and changing the "weaknesses" into "strengths" regarding a community-based MSWM programme. By this investigation, concrete strategic action plans were developed for both the community and municipal corporation to improve MSWM in Lucknow.

  1. Stakeholder-based SWOT analysis for successful municipal solid waste management in Lucknow, India

    International Nuclear Information System (INIS)

    Srivastava, P.K.; Kulshreshtha, K.; Mohanty, C.S.; Pushpangadan, P.; Singh, A.

    2005-01-01

    The present investigation is a case study of Lucknow, the main metropolis in Northern India, which succumbs to a major problem of municipal solid waste and its management. A qualitative investigation using strengths, weaknesses, opportunities and threats analysis (SWOT) has been successfully implemented through this community participation study. This qualitative investigation emphasizes the limited capabilities of the municipal corporation's resources to provide proper facilitation of the municipal solid waste management (MSWM) services without community participation in Lucknow city. The SWOT analysis was performed to formulate strategic action plans for MSWM in order to mobilize and utilize the community resources on the one hand and municipal corporation's resources on the other. It has allowed the introduction of a participatory approach for better collaboration between the community and municipal corporation in Lucknow (India). With this stakeholder-based SWOT analysis, efforts were made to explore the ways and means of converting the possible 'threats' into 'opportunities' and changing the 'weaknesses' into 'strengths' regarding a community-based MSWM programme. By this investigation, concrete strategic action plans were developed for both the community and municipal corporation to improve MSWM in Lucknow

  2. Comparison of subset-based local and FE-based global digital image correlation: Theoretical error analysis and validation

    KAUST Repository

    Pan, B.; Wang, Bo; Lubineau, Gilles

    2016-01-01

    Subset-based local and finite-element-based (FE-based) global digital image correlation (DIC) approaches are the two primary image matching algorithms widely used for full-field displacement mapping. Very recently, the performances

  3. Cross Cultural Differences in Managers’ Support for Home-based Telework : A Theoretical Elaboration

    NARCIS (Netherlands)

    Peters, Pascale; Dulk, Laura den

    2003-01-01

    Home-based telework is one of the arrangements organizations can introduce to facilitate a better balance between employees’ professional and private lives. This article focuses on the question of under what conditions managers grant a subordinate’s request to telework and what role national

  4. Theoretical treatment of molecular photoionization based on the R-matrix method

    International Nuclear Information System (INIS)

    Tashiro, Motomichi

    2012-01-01

    The R-matrix method was implemented to treat molecular photoionization problem based on the UK R-matrix codes. This method was formulated to treat photoionization process long before, however, its application has been mostly limited to photoionization of atoms. Application of the method to valence photoionization as well as inner-shell photoionization process will be presented.

  5. Development of a Theoretically Based Treatment for Sentence Comprehension Deficits in Individuals with Aphasia

    Science.gov (United States)

    Kiran, Swathi; Caplan, David; Sandberg, Chaleece; Levy, Joshua; Berardino, Alex; Ascenso, Elsa; Villard, Sarah; Tripodis, Yorghos

    2012-01-01

    Purpose: Two new treatments, 1 based on sentence to picture matching (SPM) and the other on object manipulation (OM), that train participants on the thematic roles of sentences using pictures or by manipulating objects were piloted. Method: Using a single-subject multiple-baseline design, sentence comprehension was trained on the affected sentence…

  6. Community-Based Urban Teacher Education: Theoretical Frameworks and Practical Considerations for Developing Promising Practices

    Science.gov (United States)

    Noel, Jana

    2016-01-01

    Traditional campus-based teacher education programs, located on college or university campuses, have been criticized for being removed from the "real world" of community life, and a number of programs have moved directly into urban communities in order for preservice teachers to become immersed in the life of the community. This article…

  7. Theoretical evaluation on selective adsorption characteristics of alkali metal-based sorbents for gaseous oxidized mercury.

    Science.gov (United States)

    Tang, Hongjian; Duan, Yufeng; Zhu, Chun; Cai, Tianyi; Li, Chunfeng; Cai, Liang

    2017-10-01

    Alkali metal-based sorbents are potential for oxidized mercury (Hg 2+ ) selective adsorption but show hardly effect to elemental mercury (Hg 0 ) in flue gas. Density functional theory (DFT) was employed to investigate the Hg 0 and HgCl 2 adsorption mechanism over alkali metal-based sorbents, including calcium oxide (CaO), magnesium oxide (MgO), potassium chloride (KCl) and sodium chloride (NaCl). Hg 0 was found to weakly interact with CaO (001), MgO (001), KCl (001) and NaCl (001) surfaces while HgCl 2 was effectively adsorbed on top-O and top-Cl sites. Charge transfer and bond population were calculated to discuss the covalency and ionicity of HgCl 2 bonding with the adsorption sites. The partial density of states (PDOS) analysis manifests that HgCl 2 strongly interacts with surface sites through the orbital hybridizations between Hg and top O or Cl. Frontier molecular orbital (FMO) energy and Mulliken electronegativity are introduced as the quantitative criteria to evaluate the reactivity of mercury species and alkali metal-based sorbents. HgCl 2 is identified as a Lewis acid and more reactive than Hg 0 . The Lewis basicity of the four alkali metal-based sorbents is predicted as the increasing order: NaCl < MgO < KCl < CaO, in consistence with the trend of HgCl 2 adsorption energies. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Theoretical analysis of an iron mineral-based magnetoreceptor model in birds

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Greiner, Walter

    2007-01-01

    Sensing the magnetic field has been established as an essential part of navigation and orientation of various animals for many years. Only recently has the first detailed receptor concept for magnetoreception been published based on histological and physical results. The considered mechanism...

  9. Graphene-Based FET Detector for E. coli K12 Real-Time Monitoring and Its Theoretical Analysis

    Directory of Open Access Journals (Sweden)

    Jieyi Zhu

    2016-01-01

    Full Text Available This paper presents a theoretical analysis for a graphene-based FET real-time detector of the target bacteria E. coli K12. The motivation for this study is to design a sensor device for detection of bacteria in food and water in order to guarantee food safety. Graphene is chosen as our material for sensor design, which has outstanding electrical, physical, and optical performance. In our sensor structure, graphene-based solution gate field effect transistor (FET is the device model; fabrication and functionalization protocol are presented together in this paper. What is more, a real-time signal display system is the accompanied equipment for our designed biosensor device. In this system, the sensor bias current signal Ids would change obviously when the target bacteria are attached to the sensor surface. And the bias current Ids increases when the E. coli concentration increases. In the latter part, a theoretical interpretation of the sensor signal is to explain the bias current Ids increasing after the E. coli K12 attachment.

  10. High-pressure behaviour of selenium-based spinels and related structures - an experimental and theoretical study

    International Nuclear Information System (INIS)

    Waskowska, A; Gerward, L; Olsen, J Staun; Feliz, M; Llusar, R; Gracia, L; Marques, M; Recio, J M

    2004-01-01

    The high-pressure structural behaviour of the cubic spinel CdCr 2 Se 4 (space group Fd3barm) and tetragonal CdGa 2 Se 4 (I4bar) has been investigated experimentally and theoretically in order to understand the large difference in compressibility between the two selenides. The experimental values of the bulk modulus for these compounds are 101(2) and 48(2) GPa, respectively. These values compare well with 92 and 44 GPa obtained from first-principles calculations based on the density functional theory formalism. The observed difference in compressibility between the cubic and tetragonal structures can be understood in terms of polyhedral analysis. In a hypothetical cubic spinel structure Fd3barm), the calculated bulk modulus for CdGa 2 Se 4 is 85 GPa. This value together with the experimental and theoretical results for CdCr 2 Se 4 suggest that the selenium-based cubic spinels should have a bulk modulus about 100 GPa, which is half the value found for the oxide spinels

  11. Power allocation for target detection in radar networks based on low probability of intercept: A cooperative game theoretical strategy

    Science.gov (United States)

    Shi, Chenguang; Salous, Sana; Wang, Fei; Zhou, Jianjiang

    2017-08-01

    Distributed radar network systems have been shown to have many unique features. Due to their advantage of signal and spatial diversities, radar networks are attractive for target detection. In practice, the netted radars in radar networks are supposed to maximize their transmit power to achieve better detection performance, which may be in contradiction with low probability of intercept (LPI). Therefore, this paper investigates the problem of adaptive power allocation for radar networks in a cooperative game-theoretic framework such that the LPI performance can be improved. Taking into consideration both the transmit power constraints and the minimum signal to interference plus noise ratio (SINR) requirement of each radar, a cooperative Nash bargaining power allocation game based on LPI is formulated, whose objective is to minimize the total transmit power by optimizing the power allocation in radar networks. First, a novel SINR-based network utility function is defined and utilized as a metric to evaluate power allocation. Then, with the well-designed network utility function, the existence and uniqueness of the Nash bargaining solution are proved analytically. Finally, an iterative Nash bargaining algorithm is developed that converges quickly to a Pareto optimal equilibrium for the cooperative game. Numerical simulations and theoretic analysis are provided to evaluate the effectiveness of the proposed algorithm.

  12. Theoretical training bases for young athletes in aquatic sports on the natural environment: Bodyboard.

    Directory of Open Access Journals (Sweden)

    Marcos Mecías Calvo

    2015-09-01

    Full Text Available The bodyboard is a surfing discipline whose growth has been considerably since the 60s, so it is considered one of the fastest growing aquatic sport in the world. Despite this, scientific research of this discipline has been reflected poorly compared to other sports. As in any other sport, the bodyboarder requires of specific physical and physiological conditions to help it to practice the sport effectively as it does not follow a specific training or develop conditioning programs. Therefore, this article comes up with the idea of providing a basis for determining the most appropriate training based on study objectives and bodyboard actions to improve physical, technical and psychological condition of the bodyboarders based on the particularities of their own sport and the athlete, taking into account scientific studies in the field at hand: the Bodyboard.

  13. The New Community Policing: Developing a Partnership-Based Theoretical Foundation

    Directory of Open Access Journals (Sweden)

    Adam J McKee

    2016-10-01

    Full Text Available This paper presents a Partnership Model of Community Policing based on Partnership concepts developed by Riane Eisler and undergirded by Cultural Transformation Theory as a guiding principle (1987, 2010, 2013. This model is more reflective of the daily lived experiences of community police officers. It is culturally relevant and based on the whole of the police officer’s relationship with the community within the context in which the interactions occur. This "New Community Policing" is an extension of Riane Eisler’s Cultural Transformation Theory and is an attempt to answer her call for a movement towards a partnership model of social organization. Ultimately, "8 Pillars of the New Community Policing" are developed to aid in defining and implementing community policing.

  14. Multi-material classification of dry recyclables from municipal solid waste based on thermal imaging.

    Science.gov (United States)

    Gundupalli, Sathish Paulraj; Hait, Subrata; Thakur, Atul

    2017-12-01

    There has been a significant rise in municipal solid waste (MSW) generation in the last few decades due to rapid urbanization and industrialization. Due to the lack of source segregation practice, a need for automated segregation of recyclables from MSW exists in the developing countries. This paper reports a thermal imaging based system for classifying useful recyclables from simulated MSW sample. Experimental results have demonstrated the possibility to use thermal imaging technique for classification and a robotic system for sorting of recyclables in a single process step. The reported classification system yields an accuracy in the range of 85-96% and is comparable with the existing single-material recyclable classification techniques. We believe that the reported thermal imaging based system can emerge as a viable and inexpensive large-scale classification-cum-sorting technology in recycling plants for processing MSW in developing countries. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Solid oxide fuel cell anode image segmentation based on a novel quantum-inspired fuzzy clustering

    Science.gov (United States)

    Fu, Xiaowei; Xiang, Yuhan; Chen, Li; Xu, Xin; Li, Xi

    2015-12-01

    High quality microstructure modeling can optimize the design of fuel cells. For three-phase accurate identification of Solid Oxide Fuel Cell (SOFC) microstructure, this paper proposes a novel image segmentation method on YSZ/Ni anode Optical Microscopic (OM) images. According to Quantum Signal Processing (QSP), the proposed approach exploits a quantum-inspired adaptive fuzziness factor to adaptively estimate the energy function in the fuzzy system based on Markov Random Filed (MRF). Before defuzzification, a quantum-inspired probability distribution based on distance and gray correction is proposed, which can adaptively adjust the inaccurate probability estimation of uncertain points caused by noises and edge points. In this study, the proposed method improves accuracy and effectiveness of three-phase identification on the micro-investigation. It provides firm foundation to investigate the microstructural evolution and its related properties.

  16. The calculation of surface free energy based on embedded atom method for solid nickel

    International Nuclear Information System (INIS)

    Luo Wenhua; Hu Wangyu; Su Kalin; Liu Fusheng

    2013-01-01

    Highlights: ► A new solution for accurate prediction of surface free energy based on embedded atom method was proposed. ► The temperature dependent anisotropic surface energy of solid nickel was obtained. ► In isotropic environment, the approach does not change most predictions of bulk material properties. - Abstract: Accurate prediction of surface free energy of crystalline metals is a challenging task. The theory calculations based on embedded atom method potentials often underestimate surface free energy of metals. With an analytical charge density correction to the argument of the embedding energy of embedded atom method, an approach to improve the prediction for surface free energy is presented. This approach is applied to calculate the temperature dependent anisotropic surface energy of bulk nickel and surface energies of nickel nanoparticles, and the obtained results are in good agreement with available experimental data.

  17. An electroactive conducting polymer actuator based on NBR/RTIL solid polymer electrolyte

    Science.gov (United States)

    Cho, M. S.; Seo, H. J.; Nam, J. D.; Choi, H. R.; Koo, J. C.; Lee, Y.

    2007-04-01

    This paper reports the fabrication of a dry-type conducting polymer actuator using nitrile rubber (NBR) as the base material in a solid polymer electrolyte. The conducting polymer, poly(3,4-ethylenedioxythiophene) (PEDOT), was synthesized on the surface of the NBR layer by using a chemical oxidation polymerization technique. Room-temperature ionic liquids (RTIL) based on imidazolium salts, e.g. 1-butyl-3-methyl imidazolium X (where X = BF4-, PF6-, (CF3SO2)2N-), were absorbed into the composite film. The compatibility between the ionic liquids and the NBR polymer was confirmed by DMA. The effect of the anion size of the ionic liquids on the displacement of the actuator was examined. The displacement increased with increasing anion size of the ionic liquids. The cyclic voltammetry responses and the redox switching dynamics of the actuators were examined in different ionic liquids.

  18. Are Flow Injection-based Approaches Suitable for Automated Handling of Solid Samples?

    DEFF Research Database (Denmark)

    Miró, Manuel; Hansen, Elo Harald; Cerdà, Victor

    Flow-based approaches were originally conceived for liquid-phase analysis, implying that constituents in solid samples generally had to be transferred into the liquid state, via appropriate batch pretreatment procedures, prior to analysis. Yet, in recent years, much effort has been focused...... electrolytic or aqueous leaching, on-line dialysis/microdialysis, in-line filtration, and pervaporation-based procedures have been successfully implemented in continuous flow/flow injection systems. In this communication, the new generation of flow analysis, including sequential injection, multicommutated flow.......g., soils, sediments, sludges), and thus, ascertaining the potential mobility, bioavailability and eventual impact of anthropogenic elements on biota [2]. In this context, the principles of sequential injection-microcolumn extraction (SI-MCE) for dynamic fractionation are explained in detail along...

  19. Basic Concept and Theoretical Study of Condition-based Maintenance for Power Transmission System

    Institute of Scientific and Technical Information of China (English)

    LIMing; HAN Xueshan; YANG Ming; GUO Zhihong

    2011-01-01

    The appropriate maintenance time for the single equipment can be found easily and efficiently under the background of condition-based maintenance. However, from the perspective of the whole power system, discrepancy between equipment individual and the whole power system would appear. Once this discrepancy can not be coordinated, it will certainly cause contradiction and conflict between individual equipment and the whole system, and lose the integral efficiency. To solve this contradiction and conflicts is of significant meaning.

  20. Theoretical investigation of tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases

    Science.gov (United States)

    Kluba, M.; Lipkowski, P.; Filarowski, A.

    2008-10-01

    This Letter presents a study of the tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases. The influence of substitution and solvent (simulated by the self-consistent reaction field model, SCRF) on the energy barrier of the transition state and on proton transfer is investigated. Dependencies of the HOMA and HOSE aromaticity indices on the molecular, transition state, and proton transfer forms were obtained. The state of chelate chain and phenyl ring aromaticity depending on the tautomeric equilibrium is studied.

  1. Sampling in interview-based qualitative research: A theoretical and practical guide

    OpenAIRE

    Robinson, Oliver

    2014-01-01

    Sampling is central to the practice of qualitative methods, but compared with data collection and analysis, its processes are discussed relatively little. A four-point approach to sampling in qualitative interview-based research is presented and critically discussed in this article, which integrates theory and process for the following: (1) Defining a sample universe, by way of specifying inclusion and exclusion criteria for potential participation; (2) Deciding upon a sample size, through th...

  2. ASSESSMENT OF TANNERY BASED SOLID WASTES MANAGEMENT IN ASILI, NAIROBI KENYA

    Directory of Open Access Journals (Sweden)

    Richard O. Oruko

    2014-06-01

    Full Text Available Solid wastes generated in Nairobi and its environs are posing a serious environmental challenge to the authorities and public, especially the hazardous and non-biodegradable solid wastes from leather industries. There were environmental concerns and complaints from workers and residents living adjacent to Asili tanneries limited about degradation of natural and inbuilt environment. This pointed to the effect of environmental pollution by the tannery. The broad objective of study was to assess the effectiveness of tannery based solid wastes management, by identifying and analyzing the concentration levels of sodium chlorides,sulphide, chromium ions and total phenols as selected pollutants along the tanning stages, in Nairobi river, borehole water, and soils around the dump site inside the tannery. Experimental (laboratory analysis design was used.Descriptive statistics was used in analyzing data resulting in means and tables. The means concentration of total Chrome was 2633.38mg/L,Sodium chloride 609.93mg/L, Sulphide 129.77mg/L, total Phenols 10.91mg/L in the soil sampled around the composite dump site.. In Nairobi river water the means of Sodium chloride was 317.48mg/L, Sulphide 24.00mg/L, total Phenol 3.97mg/L and total Chrome Nil, While means concentration in borehole water, had Sodium chloride detected at 354.73mg/L, Sulphide 6.67mg/L, total Phenol 0.03mg/L and total Chrome as Nil, indicating heavily contaminated ecosystems above the discharge set limits of National Environmental Management Authority and Nairobi city water and sewerage company.

  3. Geopolymers based on the valorization of Municipal Solid Waste Incineration residues

    Science.gov (United States)

    Giro-Paloma, J.; Maldonado-Alameda, A.; Formosa, J.; Barbieri, L.; Chimenos, J. M.; Lancellotti, I.

    2017-10-01

    The proper management of Municipal Solid Waste (MSW) has become one of the main environmental commitments for developed countries due to the uncontrolled growth of waste caused by the consumption patterns of modern societies. Nowadays, municipal solid waste incineration (MSWI) is one of the most feasible solutions and it is estimated to increase in Europe where the accessibility of landfill is restricted. Bottom ash (BA) is the most significant by-product from MSWI as it accounts for 85 - 95 % of the solid product resulting from combustion, which is classified as a non-hazardous residue that can be revalorized as a secondary aggregate in road sub-base, bulk lightweight filler in construction. In this way, revalorization of weathered BA (WBA) for the production of geopolymers may be a good alternative to common reuse as secondary aggregate material; however, the chemical process to obtain these materials involves several challenges that could disturb the stability of the material, mainly from the environmental point of view. Accordingly, it is necessary that geopolymers are able to stabilize heavy metals contained in the WBA in order to be classified as non-hazardous materials. In this regard, the SiO2/Al2O3 ratio plays an important role for the encapsulation of heavy metals and other toxic elements. The aim of this research is to formulate geopolymers starting from the 0 - 2 mm particle size fraction of WBA, as a unique raw material used as aluminumsilicate precursor. Likewise, leaching tests of the geopolymers formulated were performed to assess their environmental impact. The findings show that it is possible to formulate geopolymers using 100 % WBA as precursor, although more investigations are needed to sustain that geopolymer obtained can be considered as non-hazardous materials.

  4. Theoretical study of a novel solar trigeneration system based on metal hydrides

    International Nuclear Information System (INIS)

    Meng, Xiangyu; Yang, Fusheng; Bao, Zewei; Deng, Jianqiang; Serge, Nyallang N.; Zhang, Zaoxiao

    2010-01-01

    In order to utilize the low grade heat energy efficiently, the preliminary scheme of a metal hydride based Combined Cooling, Heating and Power (CCHP) system driven by solar energy and industrial waste heat was proposed, in which both refrigeration and power generation are achieved. Following a step-by-step procedure recently developed by the authors, two pairs of metal hydrides were selected for the CCHP system. The working principle of the system was discussed in detail and further design of the configuration for CCHP was conducted. Based on the cycle mentioned above, the models of energy conversion and exergy analysis were set up. The multi-element valued method was used to assess the performance of the CCHP system in a whole sense, thus the analysis of influence factors on the system performance can be carried out. The typical climate conditions of Xi'an in 2005 were taken for discussion, and the results showed that the system performance is mainly affected by the quantity of solar radiation energy. The objective of the system's optimization is to increase the exergy efficiency of the metal hydride heat pump, based on the quantity of solar radiation energy. The comparison with two different traditional types of CCHP systems proved that the novel CCHP system is superior to the traditional CCHP systems concerning the integrated performance.

  5. Theoretical Maxwell's Equations, Gauge Field and Their Universality Based on One Conservation Law

    Institute of Scientific and Technical Information of China (English)

    Liu Changmao

    2005-01-01

    The notion of the inner product of vectors is extended to tensors of different orders, which may replace the vector product usually. The essences of the differential and the codifferential forms are pointed out: they represent the tangent surface and the normal surface fluxes of a tensor, respectively. The definitions of the divergence and the curl of a 2D surface flux of a tensor are obtained.Maxwell's equations, namely, the construction law of field, which were usually established based on two conservation laws of electric charge and imaginary magnetic charge, are derived by the author only by using one conservation law ( mass or fluid flux quantity and so on) and the feature of central field ( or its composition). By the feature of central field ( or its composition), the curl of 2D flux is zero. Both universality of gauge field and the difficulty of magnetic monopole theory ( a magnetic monopole has no effect on electric current just like a couple basing no effect on the sum of forces) are presented: magnetic monopole has no the feature of magnet. Finally it is pointed out that the base of relation of mass and energy is already involved in Maxwell's equations.

  6. A theoretically based evaluation of HIV/AIDS prevention campaigns along the trans-Africa highway in Kenya.

    Science.gov (United States)

    Witte, K; Cameron, K A; Lapinski, M K; Nzyuko, S

    1998-01-01

    Print HIV/AIDS prevention campaign materials (e.g., posters, pamphlets, stickers) from 10 public health organizations in Kenya were evaluated according to the Extended Parallel Process Model (EPPM), a health behavior change theory based on the fear appeal literature, at various sites along the Trans-Africa Highway in Kenya. Three groups each of commercial sex workers (CSWs), truck drivers (TDs) and their assistants (ASSTs), and young men (YM) who live and work at the truck stops participated in focus group discussions where reactions to the campaign materials were gathered according to this theoretical base. Reactions to campaign materials varied substantially, according to the poster or pamphlet viewed. Overall, most participants wanted more detailed information about (a) the proper way to use condoms, (b) ideas for how to negotiate condom use with reluctant partners, and (c) accurate information on symptoms of AIDS and what to do once one contracted HIV. Both quantitative and qualitative analyses of the campaign materials are reported.

  7. Theoretical and historical bases of formation of social and economic nature of consumer cooperation

    Directory of Open Access Journals (Sweden)

    Алла Іванівна Мілька

    2015-09-01

    Full Text Available The essence of cooperation and cooperative approaches to address these concepts and the importance of social and economic component at different stages of development of the cooperative movement and the theory of cooperation are described in the article. Opinions of the scientists about the non-profit nature of the cooperative are considered and researched. Based on the study the main conceptual provisions of cooperation are highlighted and proposed the author's definition of consumer cooperatives is proposed on the basis of the research 

  8. Theoretical foundation for jung's “Mandala Symbolism” based on discrete chaotic dynamics of interacting neurons

    Directory of Open Access Journals (Sweden)

    V. Gontar

    2000-01-01

    Full Text Available Based on discrete chaotic dynamics algorithms different patterns in a form of mandalas have been generated. This fact gives us the possibility to make a link between mechanism of biochemical reaction dynamics undergoing in brain resulted to the brain creativity process in form of mandalas. Obtained patterns can be related to the space distributed chemicals according to the law of extended principle of maximum entropy, consideration of the information exchange during biochemical transformations, mass conservation law and discrete chaotic dynamics principles.

  9. Randomised controlled trial of a theoretically grounded tailored intervention to diffuse evidence-based public health practice [ISRCTN23257060

    Directory of Open Access Journals (Sweden)

    Nordheim Lena

    2003-03-01

    Full Text Available Abstract Background Previous studies have shown that Norwegian public health physicians do not systematically and explicitly use scientific evidence in their practice. They work in an environment that does not encourage the integration of this information in decision-making. In this study we investigate whether a theoretically grounded tailored intervention to diffuse evidence-based public health practice increases the physicians' use of research information. Methods 148 self-selected public health physicians were randomised to an intervention group (n = 73 and a control group (n = 75. The intervention group received a multifaceted intervention while the control group received a letter declaring that they had access to library services. Baseline assessments before the intervention and post-testing immediately at the end of a 1.5-year intervention period were conducted. The intervention was theoretically based and consisted of a workshop in evidence-based public health, a newsletter, access to a specially designed information service, to relevant databases, and to an electronic discussion list. The main outcome measure was behaviour as measured by the use of research in different documents. Results The intervention did not demonstrate any evidence of effects on the objective behaviour outcomes. We found, however, a statistical significant difference between the two groups for both knowledge scores: Mean difference of 0.4 (95% CI: 0.2–0.6 in the score for knowledge about EBM-resources and mean difference of 0.2 (95% CI: 0.0–0.3 in the score for conceptual knowledge of importance for critical appraisal. There were no statistical significant differences in attitude-, self-efficacy-, decision-to-adopt- or job-satisfaction scales. There were no significant differences in Cochrane library searching after controlling for baseline values and characteristics. Conclusion Though demonstrating effect on knowledge the study failed to provide support for

  10. Theoretical studies of the work functions of Pd-based bimetallic surfaces

    International Nuclear Information System (INIS)

    Ding, Zhao-Bin; Wu, Feng; Wang, Yue-Chao; Jiang, Hong

    2015-01-01

    Work functions of Pd-based bimetallic surfaces, including mainly M/Pd(111), Pd/M, and Pd/M/Pd(111) (M = 4d transition metals, Cu, Au, and Pt), are studied using density functional theory. We find that the work function of these bimetallic surfaces is significantly different from that of parent metals. Careful analysis based on Bader charges and electron density difference indicates that the variation of the work function in bimetallic surfaces can be mainly attributed to two factors: (1) charge transfer between the two different metals as a result of their different intrinsic electronegativity, and (2) the charge redistribution induced by chemical bonding between the top two layers. The first factor can be related to the contact potential, i.e., the work function difference between two metals in direct contact, and the second factor can be well characterized by the change in the charge spilling out into vacuum. We also find that the variation in the work functions of Pd/M/Pd(111) surfaces correlates very well with the variation of the d-band center of the surface Pd atom. The findings in this work can be used to provide general guidelines to design new bimetallic surfaces with desired electronic properties

  11. Comparison study on transformation of iron oxyhydroxides: Based on theoretical and experimental data

    International Nuclear Information System (INIS)

    Lu Bin; Guo Hui; Li Ping; Liu Hui; Wei Yu; Hou Denglu

    2011-01-01

    We have investigated the catalytic transformation of ferrihydrite, feroxyhyte, and lepidocrocite in the presence of Fe(II). In this paper, the transformation from akaganeite and goethite to hematite in the presence of trace Fe(II) was studied in detail. The result indicates that trace Fe(II) can accelerate the transformation of akaganeite and goethite. Compared with the transformation of other iron oxyhydroxides (e.g., ferrihydrite, feroxyhyte, lepidocrocite, and akaganeite), a complete transformation from goethite to hematite was not observed in the presence of Fe(II). On the basis of our earlier and present experimental results, the transformation of various iron oxyhydroxides was compared based on their thermodynamic stability, crystalline structure, transformation mechanism, and transformation time. - Graphical abstract: The transformation of various iron oxyhydroxides in the presence of trace Fe(II) was compared based on experimental results, thermodynamic stability, crystalline structure, and transformation mechanism. Highlights: → Fe(II) can accelerate the transformation from akaganeite to hematite. → Small particles of goethite can transform to hematite in the presence of Fe(II). → Some hematite particles were found to be embedded within the crystal of goethite. → The relationship between structure and transformation mechanism was revealed.

  12. Theoretical assumptions of Maffesoli's sensitivity and Problem-Based Learning in Nursing Education

    Directory of Open Access Journals (Sweden)

    María-Aurora Rodríguez-Borrego

    2014-06-01

    Full Text Available OBJECTIVE: understand the everyday and the imaginary of Nursing students in their knowledge socialization process through the Problem-Based Learning (PBL strategy.METHOD: Action Research, involving 86 students from the second year of an undergraduate Nursing program in Spain. A Critical Incident Questionnaire and Group interview were used. Thematic/categorical analysis, triangulation of researchers, subjects and techniques.RESULTS: the students signal the need to have a view from within, reinforcing the criticism against the schematic dualism; PBL allows one to learn how to be with the other, with his mechanical and organic solidarity; the feeling together, with its emphasis on learning to work in group and wanting to be close to the person taking care.CONCLUSIONS: The great contradictions the protagonists of the process, that is, the students experience seem to express that group learning is not a form of gaining knowledge, as it makes them lose time to study. The daily, the execution time and the imaginary of how learning should be do not seem to have an intersection point in the use of Problem-Based Learning. The importance of focusing on the daily and the imaginary should be reinforced when we consider nursing education.

  13. Theoretical assumptions of Maffesoli's sensitivity and Problem-Based Learning in Nursing Education1

    Science.gov (United States)

    Rodríguez-Borrego, María-Aurora; Nitschke, Rosane Gonçalves; do Prado, Marta Lenise; Martini, Jussara Gue; Guerra-Martín, María-Dolores; González-Galán, Carmen

    2014-01-01

    Objective understand the everyday and the imaginary of Nursing students in their knowledge socialization process through the Problem-Based Learning (PBL) strategy. Method Action Research, involving 86 students from the second year of an undergraduate Nursing program in Spain. A Critical Incident Questionnaire and Group interview were used. Thematic/categorical analysis, triangulation of researchers, subjects and techniques. Results the students signal the need to have a view from within, reinforcing the criticism against the schematic dualism; PBL allows one to learn how to be with the other, with his mechanical and organic solidarity; the feeling together, with its emphasis on learning to work in group and wanting to be close to the person taking care. Conclusions The great contradictions the protagonists of the process, that is, the students experience seem to express that group learning is not a form of gaining knowledge, as it makes them lose time to study. The daily, the execution time and the imaginary of how learning should be do not seem to have an intersection point in the use of Problem-Based Learning. The importance of focusing on the daily and the imaginary should be reinforced when we consider nursing education. PMID:25029064

  14. XML-based formulation of field theoretical models. A proposal for a future standard and data base for model storage, exchange and cross-checking of results

    International Nuclear Information System (INIS)

    Demichev, A.; Kryukov, A.; Rodionov, A.

    2002-01-01

    We propose an XML-based standard for formulation of field theoretical models. The goal of creation of such a standard is to provide a way for an unambiguous exchange and cross-checking of results of computer calculations in high energy physics. At the moment, the suggested standard implies that models under consideration are of the SM or MSSM type (i.e., they are just SM or MSSM, their submodels, smooth modifications or straightforward generalizations). (author)

  15. Carbon deposition thresholds on nickel-based solid oxide fuel cell anodes I. Fuel utilization

    Science.gov (United States)

    Kuhn, J.; Kesler, O.

    2015-03-01

    In the first of a two part publication, the effect of fuel utilization (Uf) on carbon deposition rates in solid oxide fuel cell nickel-based anodes was studied. Representative 5-component CH4 reformate compositions (CH4, H2, CO, H2O, & CO2) were selected graphically by plotting the solutions to a system of mass-balance constraint equations. The centroid of the solution space was chosen to represent a typical anode gas mixture for each nominal Uf value. Selected 5-component and 3-component gas mixtures were then delivered to anode-supported cells for 10 h, followed by determination of the resulting deposited carbon mass. The empirical carbon deposition thresholds were affected by atomic carbon (C), hydrogen (H), and oxygen (O) fractions of the delivered gas mixtures and temperature. It was also found that CH4-rich gas mixtures caused irreversible damage, whereas atomically equivalent CO-rich compositions did not. The coking threshold predicted by thermodynamic equilibrium calculations employing graphite for the solid carbon phase agreed well with empirical thresholds at 700 °C (Uf ≈ 32%); however, at 600 °C, poor agreement was observed with the empirical threshold of ∼36%. Finally, cell operating temperatures correlated well with the difference in enthalpy between the supplied anode gas mixtures and their resulting thermodynamic equilibrium gas mixtures.

  16. High Temperature Gas-to-Gas Heat Exchanger Based on a Solid Intermediate Medium

    Directory of Open Access Journals (Sweden)

    R. Amirante

    2014-04-01

    Full Text Available This paper proposes the design of an innovative high temperature gas-to-gas heat exchanger based on solid particles as intermediate medium, with application in medium and large scale externally fired combined power plants fed by alternative and dirty fuels, such as biomass and coal. An optimization procedure, performed by means of a genetic algorithm combined with computational fluid dynamics (CFD analysis, is employed for the design of the heat exchanger: the goal is the minimization of its size for an assigned heat exchanger efficiency. Two cases, corresponding to efficiencies equal to 80% and 90%, are considered. The scientific and technical difficulties for the realization of the heat exchanger are also faced up; in particular, this work focuses on the development both of a pressurization device, which is needed to move the solid particles within the heat exchanger, and of a pneumatic conveyor, which is required to deliver back the particles from the bottom to the top of the plant in order to realize a continuous operation mode. An analytical approach and a thorough experimental campaign are proposed to analyze the proposed systems and to evaluate the associated energy losses.

  17. Elastic properties of amorphous boron suboxide based solids studied using ab initio molecular dynamics

    International Nuclear Information System (INIS)

    Music, Denis; Schneider, Jochen M

    2008-01-01

    We have studied the correlation between chemical composition, structure, chemical bonding and elastic properties of amorphous B 6 O based solids using ab initio molecular dynamics. These solids are of different chemical compositions, but the elasticity data appear to be a function of density. This is in agreement with previous experimental observations. As the density increases from 1.64 to 2.38 g cm -3 , the elastic modulus increases from 74 to 253 GPa. This may be understood by analyzing the cohesive energy and the chemical bonding of these compounds. The cohesive energy decreases from -7.051 to -7.584 eV/atom in the elastic modulus range studied. On the basis of the electron density distributions, Mulliken analysis and radial distribution functions, icosahedral bonding is the dominating bonding type. C and N promote cross-linking of icosahedra and thus increase the density, while H hinders the cross-linking by forming OH groups. The presence of icosahedral bonding is independent of the density

  18. Characteristics of Solid-State Calcium Ion Sensors Based on Photocurable and Selfplasticising Polyacrylate Matrices

    Directory of Open Access Journals (Sweden)

    Lee Yook Heng

    2017-11-01

    Full Text Available New membrane materials based on cross-linked poly(n-butyl acrylate (nBA, have been used successfully as calcium ion-selective membranes. These membrane materials possess selfplasticising property and hence do not require plasticisers. The photocurability and good adhesion characteristics of these polymer matrices enable workable solid-state calcium ion sensors to be fabricated by simple photocure procedures employing the calcium ionophore ETH5234 and a lipophilic additive as ion sensing components. The calcium ion-selectivity of the sensors can be controlled by varying the chemical composition of the photocured  membrane. An optimum amount of the cross-linker 2,2-hexanedioldiacrylate (HDDA and the incorporation of n-heptyl acrylate (nHA led to improvement in the calcium ion-selectivity. The best calcium ion-selectivity was obtained from a copolymer membrane with composition: nBA = 74 wt-%, nHA = 20 wt-% and HDDA = 0.1 wt-%. The selectivity coefficients of calcium over major cations were: LogKCaPot,Na= -4.4,  LogKCaPot,K = -3.6, LogKCa,PotLi = -5.9, LogKCaPot,Mg= -4.4 with a Nernstian slope (29.1 ± 0.8 mV/decade under buffered conditions. This potentiometric performance is comparable to other solid-state calcium ion sensors with various plasticised polymer membranes.

  19. Design study of blanket structure based on a water-cooled solid breeder for DEMO

    Energy Technology Data Exchange (ETDEWEB)

    Someya, Youji; Tobita, Kenji; Utoh, Hiroyasu; Tokunaga, Shinji; Hoshino, Kazuo; Asakura, Nobuyuki; Nakamura, Makoto; Sakamoto, Yoshiteru

    2015-10-15

    Highlights: • Neutronics design of a water-cooled solid mixed breeder blanket was presented. • The blanket concept achieves a self-sufficient supply of tritium by neutronics analysis. • The overall outlet coolant temperature was 321 °C, which is in the acceptable range. - Abstract: Blanket concept with a simplified interior for mass production has been developed using a mixed bed of Li{sub 2}TiO{sub 3} and Be{sub 12}Ti pebbles, coolant conditions of 15.5 MPa and 290–325 °C and cooling pipes without any partitions. Considering the continuity with the ITER test blanket module option of Japan and the engineering feasibility in its fabrication, our design study focused on a water-cooled solid breeding blanket using the mixed pebbles bed. Herein, we propose blanket segmentation corresponding to the shape and dimension of the blanket and routing of the coolant flow. Moreover, we estimate the overall tritium breeding ratio (TBR) with a torus configuration, based on the segmentation using three-dimensional (3D) Monte Carlo N-particle calculations. As a result, the overall TBR is 1.15. Our 3D neutronics analysis for TBR ensures that the blanket concept can achieve a self-sufficient supply of tritium.

  20. Solid electrolyte gas sensors based on cyclic voltammetry with one active electrode

    Energy Technology Data Exchange (ETDEWEB)

    Jasinski, G; Jasinski, P, E-mail: gregor@biomed.eti.pg.gda.pl [Gdansk University of Technology, Faculty of Electronics, Telecommunication and Informatics, Narutowicza 11/12, 80-233 Gdansk (Poland)

    2011-10-29

    Solid state gas sensors are cost effective, small, rugged and reliable. Typically electrochemical solid state sensors operate in either potentiometric or amperometric mode. However, a lack of selectivity is sometimes a shortcoming of such sensors. It seems that improvements of selectivity can be obtained in case of the electrocatalytic sensors, which operate in cyclic voltammetry mode. Their working principle is based on acquisition of an electric current, while voltage ramp is applied to the sensor. The current-voltage response depends in a unique way on the type and concentration of ambient gas. Most electrocatalytic sensors have symmetrical structure. They are in a form of pellets with two electrodes placed on their opposite sides. Electrochemical reactions occur simultaneously on both electrodes. In this paper results for sensors with only one active electrode exposed to ambient gas are presented. The other electrode was isolated from ambient gas with dielectric sealing. This sensor construction allows application of advanced measuring procedures, which permit sensor regeneration acceleration. Experiments were conducted on Nasicon sensors. Properties of two sensors, one with one active electrode and second with symmetrical structure, used for the detection of mixtures of NO{sub 2} and synthetic air are compared.

  1. Fabrication of WO3-based electrochromic displays using solid or gel-like organic electrolytes

    International Nuclear Information System (INIS)

    Vasilopoulou, M; Aspiotis, G; Kostis, I; Argitis, P; Davazoglou, D

    2005-01-01

    New all solid-state electrochromic displays were fabricated by chemically vapor depositing and patterning a tungsten oxide film on SnO 2 :F covered glass substrates. Aluminum sheets were used as counter electrodes to form electrochromic displays using solid or gel-like organic electrolytes. These ionically conductive and electronically insulating electrolytes were based on poly(methyl methacrylate) (PMMA) and poly(2-hydrohyethyl methacrylate) (PHEMA) into which phospho-tungstic acid was added at various concentrations. In some devices the electrolyte was formed by addition of photoacid generator into the polymeric matrix and exposure at deep UV light. It was found that displays exhibit an intense, reversible electrochromic effect with reflectivity varying by a factor of five between the uncolored to the colored state. The coloring voltage depends strongly on the polymeric matrix, the thickness of the electrolyte and post-apply baking conditions and is of the order of 6-9 V. The response time was found to be of the order of 500 ms; coloration and bleaching times were comparable

  2. Bioconversion of fish solid waste into PHB using Bacillus subtilis based submerged fermentation process.

    Science.gov (United States)

    Mohapatra, S; Sarkar, B; Samantaray, D P; Daware, A; Maity, S; Pattnaik, S; Bhattacharjee, S

    2017-12-01

    Currently, one of the major problem affecting the world is solid waste management, predominantly petroleum-based plastic and fish solid waste (FSW). However, it is very difficult to reduce the consumption of plastic as well as fish products, but it is promising to convert FSW to biopolymer to reduce eco-pollution. On account of that, the bioconversion of FSW extract to polyhydroxybutyrate (PHB) was undertaken by using Bacillus subtilis (KP172548). Under optimized conditions, 1.62 g/L of PHB has been produced by the bacterium. The purified compound was further characterized by advanced analytical technologies to elucidate its chemical structure. Results indicated that the biopolymer was found to be PHB, the most common homopolymer of polyhydroxyalkanoates (PHAs). This is the first report demonstrating the efficacy of B. subtilis to utilize FSW extract to produce biopolymer. The biocompatibility of the PHB against murine macrophage cell line RAW264.7 demonstrated that, it was comparatively less toxic, favourable for surface attachment and proliferation in comparison with poly-lactic acid (PLA) and commercially available PHB. Thus, further exploration is highly indispensable to use FSW extract as a substrate for production of PHB at pilot scale.

  3. RECOVERY OF ASPERGILLUS ENDO-GLUCANASE PRODUCED ON SOLID SUBSTRATE: A DOE BASED APPROACH

    Directory of Open Access Journals (Sweden)

    Sibabrata Mukherjee

    2014-10-01

    Full Text Available The endo-glucanase (E.C. 3.2.1.4 was produced by Aspergillus terreus adopting solid state fermentation (SSF using agro residues as main substrate. To recover the enzyme from the fermented mass, different extraction liquids were tried and 10% aqueous solution of glycerol was found to be superior. When the selected extractant was applied at different ratio to the fermented solid mass, maximum enzyme was recovered at 1:5 (w/v ratio. The other process parameters (time, temperature and mixing speed effects on the enzyme recovery were subsequently studied by response surface methodology (RSM. Box-Bhenken Design of experiment (BBDOE was exploited for the analysis of interactive effects of the independent variables. The optimization was done following the numerical approach focusing reduction in utility cost without compromising the endo-glucanse activity. Based on the predicted solution the validation experiments were carried out and finally 32 IU/g of endo-glucanase was recovered at room temperature, at a mixing speed of 100 rpm in 2.65 h which was very close to the predicted response. The optimization evidenced more than two times betterment in enzyme recovery than the un-optimized state. The model developed was found to be robust for process analysis. Repetitive extraction had revealed that maximum endo-glucanase recovery was required of two cycles of extraction at optimized conditions.

  4. Layered inorganic solids

    Czech Academy of Sciences Publication Activity Database

    Čejka, Jiří; Morris, R. E.; Nachtigall, P.; Roth, Wieslaw Jerzy

    2014-01-01

    Roč. 43, č. 27 (2014), s. 10274-10275 ISSN 1477-9226 Institutional support: RVO:61388955 Keywords : layered inorganic solids * physical chemistry * catalysis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.197, year: 2014

  5. Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues

    Czech Academy of Sciences Publication Activity Database

    Šponer, Judit E.; Vázquez-Mayagoitia, Á.; Sumpter, B.G.; Leszczynski, J.; Šponer, Jiří; Otyepka, M.; Banáš, P.; Fuentes-Cabrera, M.

    2010-01-01

    Roč. 16, č. 10 (2010), s. 3057-3065 ISSN 0947-6539 R&D Projects: GA MŠk(CZ) LC06030; GA AV ČR(CZ) 1QS500040581; GA AV ČR(CZ) IAA400040802; GA ČR(CZ) GA203/09/1476 Grant - others:GA MŠk(CZ) LC512; GA AV ČR(CZ) IAA400550701; GA ČR(CZ) GD203/09/H046 Program:LC; IA; GD Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702 Keywords : quantum chemistry * base pairing * origin of life Subject RIV: BO - Biophysics Impact factor: 5.476, year: 2010

  6. Decomposition of atmospheric water content into cluster contributions based on theoretical association equilibrium constants

    International Nuclear Information System (INIS)

    Slanina, Z.

    1987-01-01

    Water vapor is treated as an equilibrium mixture of water clusters (H 2 O)/sub i/ using quantum-chemical evaluation of the equilibrium constants of water associations. The model is adapted to the conditions of atmospheric humidity, and a decomposition algorithm is suggested using the temperature and mass concentration of water as input information and used for a demonstration of evaluation of the water oligomer populations in the Earth's atmosphere. An upper limit of the populations is set up based on the water content in saturated aqueous vapor. It is proved that the cluster population in the saturated water vapor, as well as in the Earth's atmosphere for a typical temperature/humidity profile, increases with increasing temperatures

  7. Theoretical model for thin ferroelectric films and the multilayer structures based on them

    International Nuclear Information System (INIS)

    Starkov, A. S.; Pakhomov, O. V.; Starkov, I. A.

    2013-01-01

    A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data

  8. Theoretical model for thin ferroelectric films and the multilayer structures based on them

    Science.gov (United States)

    Starkov, A. S.; Pakhomov, O. V.; Starkov, I. A.

    2013-06-01

    A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.

  9. Theoretical analysis of a YBCO squirrel-cage type induction motor based on an equivalent circuit

    International Nuclear Information System (INIS)

    Morita, G; Nakamura, T; Muta, I

    2006-01-01

    A HTS induction motor, with a HTS squirrel-cage rotor, is analysed using an electrical equivalent circuit. The squirrel-cage winding in the rotor consists of rotor bars and end rings, and both are considered to be made of YBCO film conductors. A wide range of electric field versus current density in YBCO film is formulated based on the Weibull function, and analysed as a non-linear resistance in the equivalent circuit. It is shown that starting and accelerating torques of the HTS induction motor are improved drastically compared to those of a conventional induction motor. Furthermore, large synchronous torque can also be realized by trapping the magnetic flux in the rotor circuit because of the persistent current mode

  10. Theoretical model for thin ferroelectric films and the multilayer structures based on them

    Energy Technology Data Exchange (ETDEWEB)

    Starkov, A. S., E-mail: starkov@iue.tuwien.ac.at; Pakhomov, O. V. [St. Petersburg National Research Univeristy ITMO, Institute of Refrigeration and Biotechnologies (Russian Federation); Starkov, I. A. [Vienna University of Technology, Institute for Microelectronics (Austria)

    2013-06-15

    A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.

  11. Technology-mediated collaborative learning: theoretical contributions based on analysis of educational practice

    Directory of Open Access Journals (Sweden)

    Sonia CASILLAS MARTÍN

    2017-12-01

    Full Text Available Collaborative learning has been a subject of great interest in the context of educational research, giving rise to many studies emphasizing the potential of the collaboration process in student learning, knowledge building, the development of diverse abilities and improved academic performance. Based on a conceptual review and thorough reflection on this topic, this article presents the results of a case study carried out in different schools in the Autonomous Community of Castile y Leon (Spain in an attempt to identify patterns of common action through the implementation of collaborative learning methods mediated by information and communication technologies (ICT. Among the many outcomes of this study, we conclude by highlighting the need to plan collaborative work very carefully, taking advantage of the opportunities offered by ICT as communicative environments where it is possible to construct joint and shared learning. 

  12. Theoretical study and simulation for a nanometer laser based on Gauss–Hermite source expansion

    International Nuclear Information System (INIS)

    Gu, Xiaowei

    2013-01-01

    Recently there has been worldwide interest in constructing a new generation of continuously tunable nanometer lasers for a wide range of scientific applications, including femtosecond science, biological molecules, nanoscience research fields, etc. The high brightness electron beam required by a short wavelength self-amplified spontaneous emission FEL can be reached only with accurate control of the beam dynamics in the facility. Numerical simulation codes are basic tools for designing new nanometer laser devices. We have developed a MATLAB quasi-one-dimensional code based on a reduced model for the FEL. The model uses an envelope description of the transverse dynamics of the laser beam and full longitudinal particle motion. We have optimized the LCLS facility parameters, then given the characteristics of the nanometer laser. (letter)

  13. Theoretical study and simulation for a nanometer laser based on Gauss-Hermite source expansion

    Science.gov (United States)

    Gu, Xiaowei

    2013-07-01

    Recently there has been worldwide interest in constructing a new generation of continuously tunable nanometer lasers for a wide range of scientific applications, including femtosecond science, biological molecules, nanoscience research fields, etc. The high brightness electron beam required by a short wavelength self-amplified spontaneous emission FEL can be reached only with accurate control of the beam dynamics in the facility. Numerical simulation codes are basic tools for designing new nanometer laser devices. We have developed a MATLAB quasi-one-dimensional code based on a reduced model for the FEL. The model uses an envelope description of the transverse dynamics of the laser beam and full longitudinal particle motion. We have optimized the LCLS facility parameters, then given the characteristics of the nanometer laser.

  14. Theoretical and experimental investigation of wear characteristics of aluminum based metal matrix composites using RSM

    International Nuclear Information System (INIS)

    Selvi, S.; Rajasekar, E.

    2015-01-01

    The tribological properties such as wear rate, hardness of the aluminum-fly ash composite synthesized by stir casting were investigated by varying the weight % of fly ash from 5 to 20 with constant weight % of zinc and magnesium metal powder. A mathematical model was developed to predict the wear rate of aluminum metal matrix composites and the adequacy of the model was verified using analysis of variance. Scanning electron microscopy was used for the microstructure analysis which showed a uniform distribution of fly ash in the metal matrix. Energy - dispersive X-ray spectroscopy was used for the elemental analysis or chemical characterization of a sample. The results showed that addition of fly ash to aluminum based metal matrix improved both the mechanical and tribological properties of the composites. The fly ash particles improved the wear resistance of the metal matrix composites because the hardness of the samples taken increased as the fly ash content was increased.

  15. A theoretical study of blue phosphorene nanoribbons based on first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Jiafeng; Si, M. S., E-mail: sims@lzu.edu.cn; Yang, D. Z.; Zhang, Z. Y.; Xue, D. S. [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China)

    2014-08-21

    Based on first-principles calculations, we present a quantum confinement mechanism for the band gaps of blue phosphorene nanoribbons (BPNRs) as a function of their widths. The BPNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen saturation. Both the two types of nanoribbons are shown to be indirect semiconductors. An enhanced energy gap of around 1 eV can be realized when the ribbon's width decreases to ∼10 Å. The underlying physics is ascribed to the quantum confinement effect. More importantly, the parameters to describe quantum confinement are obtained by fitting the calculated band gaps with respect to their widths. The results show that the quantum confinement in armchair nanoribbons is stronger than that in zigzag ones. This study provides an efficient approach to tune the band gap in BPNRs.

  16. Processing considerations with plasma-based ion implantation of polymers: theoretical aspects, limitations, and experimental results

    International Nuclear Information System (INIS)

    Lacoste, A.; Pelletier, J.

    2003-01-01

    Processing of polymers using plasma-based ion implantation techniques (PBII) has general implications in terms of plasma specifications and pulse characteristics. In particular, the different aspects of the processing of polymer layers are discussed as functions of plasma density, pulse duration, and layer characteristics (thickness and permittivity). Clearly, severe limitations (true implantation energy, arcing) may appear for high-density plasmas as well as for long pulse durations, when processing polymer layers with thickness in the mm range. A review of the experimental results of ion implantation in polymeric materials via PBII processing is presented. The experimental results demonstrate the possibility of processing polymer layers with the PBII technique, but with severe limitations resulting from the process itself

  17. Molecular design and theoretical characterization of benzodithiophene based organic photovoltaic materials

    Science.gov (United States)

    Bhattacharya, Labanya; Sahu, Sridhar

    2018-05-01

    Two different oligomers, containing methyl substituted Benzodithiophene (BDT) as donor unit, fluorinated thiophene as the π-bridge unit and two different kinds of acceptors based on fluorinated benzothiadiazole, fluorinated benzoselenadiazole units are designed for bulk heterojunction (BHJ) organic solar cell (OSC). The ground and excited state properties of those donor-π-acceptor-π-donor (D-π-A-π-D) oligomeric configurations are characterized via density functional (DFT) and time dependent density functional theory (TD-DFT). The parameters such as dipole moment (ρ), chemical potential (µ), electronegativity (χ), frontier molecular orbital (FMO) analysis, HOMO-LUMO gap, open circuit voltage (Voc) and driving force (ΔE) are calculated to analyze geometrical, electronic structural, quantum chemical and photovoltaic properties of the compounds. In addition, optical absorption spectra are also presented for the optical characterization of the compounds.

  18. Experimental and theoretical investigation of semiconductor optical amplifier (SOA) based all-optical switches

    DEFF Research Database (Denmark)

    Nielsen, Mads Lønstrup

    2004-01-01

    This thesis analyzes semiconductor optical amplifier (SOA) based all-optical switches experimentally and through numerical simulations. These devices are candidates for optical signal processing functionalities such as wavelength conversion, regeneration, and logic processing in future transparent......, consisting of an SOA and an asymmetric MZI filter, is analyzed in the small-signal regime, and the obtainable modulation bandwidth is expressed analytically. A new optical spectrum approach to small signal analysis is introduced, and is used to assess the bandwidth enhancing effect of different optical...... filters, as well the impact of the filter phase response. Experiments at 40 Gb/s verify the predictions of the small-signal analysis. Wavelength conversion is demonstrated experimentally at 40 Gb/s using a simple filtering-assisted scheme with an ultra-low optical switching energy, and up to 80 Gb...

  19. Experimental and theoretical studies of the thermal behavior of titanium dioxide-SnO2 based composites.

    Science.gov (United States)

    Voga, G P; Coelho, M G; de Lima, G M; Belchior, J C

    2011-04-07

    In this paper we report experimental and theoretical studies concerning the thermal behavior of some organotin-Ti(IV) oxides employed as precursors for TiO(2)/SnO(2) semiconducting based composites, with photocatalytic properties. The organotin-TiO(2) supported materials were obtained by chemical reactions of SnBu(3)Cl (Bu = butyl), TiCl(4) with NH(4)OH in ethanol, in order to impregnate organotin oxide in a TiO(2) matrix. A theoretical model was developed to support experimental procedures. The kinetics parameters: frequency factor (A), activation energy, and reaction order (n) can be estimated through artificial intelligence methods. Genetic algorithm, fuzzy logic, and Petri neural nets were used in order to determine the kinetic parameters as a function of temperature. With this in mind, three precursors were prepared in order to obtain composites with Sn/TiO(2) ratios of 0% (1), 15% (2), and 30% (3) in weight, respectively. The thermal behavior of products (1-3) was studied by thermogravimetric experiments in oxygen.

  20. A theoretical-spectroscopy, ab initio-based study of the electronic ground state of 121SbH3

    International Nuclear Information System (INIS)

    Yurchenko, Sergei N.; Carvajal, Miguel; Yachmenev, Andrey; Thiel, Walter; Jensen, Per

    2010-01-01

    For the stibine isotopologue 121 SbH 3 , we report improved theoretical calculations of the vibrational energies below 8000 cm -1 and simulations of the rovibrational spectrum in the 0-8000 cm -1 region. The calculations are based on a refined ab initio potential energy surface and on a new dipole moment surface obtained at the coupled cluster CCSD(T) level. The theoretical results are compared with the available experimental data in order to validate the ab initio surfaces and the TROVE computational method [Yurchenko SN, Thiel W, Jensen P. J Mol Spectrosc 2007;245:126-40] for calculating rovibrational energies and simulating rovibrational spectra of arbitrary molecules in isolated electronic states. A number of predicted vibrational energies of 121 SbH 3 are provided in order to stimulate new experimental investigations of stibine. The local-mode character of the vibrations in stibine is demonstrated through an analysis of the results in terms of local-mode theory.

  1. An incentive-based source separation model for sustainable municipal solid waste management in China.

    Science.gov (United States)

    Xu, Wanying; Zhou, Chuanbin; Lan, Yajun; Jin, Jiasheng; Cao, Aixin

    2015-05-01

    Municipal solid waste (MSW) management (MSWM) is most important and challenging in large urban communities. Sound community-based waste management systems normally include waste reduction and material recycling elements, often entailing the separation of recyclable materials by the residents. To increase the efficiency of source separation and recycling, an incentive-based source separation model was designed and this model was tested in 76 households in Guiyang, a city of almost three million people in southwest China. This model embraced the concepts of rewarding households for sorting organic waste, government funds for waste reduction, and introducing small recycling enterprises for promoting source separation. Results show that after one year of operation, the waste reduction rate was 87.3%, and the comprehensive net benefit under the incentive-based source separation model increased by 18.3 CNY tonne(-1) (2.4 Euros tonne(-1)), compared to that under the normal model. The stakeholder analysis (SA) shows that the centralized MSW disposal enterprises had minimum interest and may oppose the start-up of a new recycling system, while small recycling enterprises had a primary interest in promoting the incentive-based source separation model, but they had the least ability to make any change to the current recycling system. The strategies for promoting this incentive-based source separation model are also discussed in this study. © The Author(s) 2015.

  2. Crowdsourcing-Based Geoinformation, Disadvantaged Urbanisation Challenges, Subsaharan Africa: Theoretical Perspectives and Notes

    Directory of Open Access Journals (Sweden)

    Ingwe Richard

    2017-03-01

    Full Text Available Scholars and practitioners concerned with geoinformation, cyber-cartography, development studies, and other subjects increasingly explore crowdsourcing and its huge advantages for development. Some have advocated it for adoption/promotion by government as a means of citizen engagement. The objective of this article is to increase the appreciation of the contribution that crowdsourcing can make towards resolving challenges associated with disadvantaged urbanisation in sub-Saharan Africa (SSA. We review urban challenges of SSA and three practices of crowdsourcing: volunteered geographic information (VGI, Citizen Science (CS, and Participatory Mapping (PM. Then we examine problems associated with the advocacy for government adoption of those practices in SSA. We argue that civil society collaboration with an international governmental organisation (IGO instead of government promises a better way of adopting and promoting them. This suggestion is based on the fact that work related to this strategy is carried out by a global coalition of civil society, the UN-NGLS. This strategy promises a more rapid way of taking advantage of fast-tracking public engagement in the economic region, SSA.

  3. Theoretical studies on membrane-based gas separation using computational fluid dynamics (CFD) of mass transfer

    International Nuclear Information System (INIS)

    Sohrabi, M.R.; Marjani, A.; Davallo, M.; Moradi, S.; Shirazian, S.

    2011-01-01

    A 2D mass transfer model was developed to study carbon dioxide removal by absorption in membrane contactors. The model predicts the steady state absorbent and carbon dioxide concentrations in the membrane by solving the conservation equations. The continuity equations for three sub domains of the membrane contactor involving the tube; membrane and shell were obtained and solved by finite element method (FEM). The model was based on 'non-wetted mode' in which the gas phase filled the membrane pores. Laminar parabolic velocity profile was used for the liquid flow in the tube side; whereas, the gas flow in the shell side was characterized by Happel's free surface model. Axial and radial diffusion transport inside the shell, through the membrane, and within the tube side of the contactor was considered in the mass transfer model. The predictions of percent CO/sub 2/ removal obtained by modeling were compared with the experimental values obtained from literature. They were the experimental results for CO/sub 2/ removal from CO/sub 2//N/sub 2/ gas mixture with amines aqueous solutions as the liquid solvent using polypropylene membrane contactor. The modeling predictions were in good agreement with the experimental values for different values of gas and liquid flow rates. (author)

  4. Concurrent Transmission Based on Channel Quality in Ad Hoc Networks: A Game Theoretic Approach

    Science.gov (United States)

    Chen, Chen; Gao, Xinbo; Li, Xiaoji; Pei, Qingqi

    In this paper, a decentralized concurrent transmission strategy in shared channel in Ad Hoc networks is proposed based on game theory. Firstly, a static concurrent transmissions game is used to determine the candidates for transmitting by channel quality threshold and to maximize the overall throughput with consideration of channel quality variation. To achieve NES (Nash Equilibrium Solution), the selfish behaviors of node to attempt to improve the channel gain unilaterally are evaluated. Therefore, this game allows each node to be distributed and to decide whether to transmit concurrently with others or not depending on NES. Secondly, as there are always some nodes with lower channel gain than NES, which are defined as hunger nodes in this paper, a hunger suppression scheme is proposed by adjusting the price function with interferences reservation and forward relay, to fairly give hunger nodes transmission opportunities. Finally, inspired by stock trading, a dynamic concurrent transmission threshold determination scheme is implemented to make the static game practical. Numerical results show that the proposed scheme is feasible to increase concurrent transmission opportunities for active nodes, and at the same time, the number of hunger nodes is greatly reduced with the least increase of threshold by interferences reservation. Also, the good performance on network goodput of the proposed model can be seen from the results.

  5. Straight talk: HIV prevention for African-American heterosexual men: theoretical bases and intervention design.

    Science.gov (United States)

    Frye, Victoria; Bonner, Sebastian; Williams, Kim; Henny, Kirk; Bond, Keosha; Lucy, Debbie; Cupid, Malik; Smith, Stephen; Koblin, Beryl A

    2012-10-01

    In the United States, racial disparities in HIV/AIDS are stark. Although African Americans comprise an estimated 14% of the U.S. population, they made up 52% of new HIV cases among adults and adolescents diagnosed in 2009. Heterosexual transmission is now the second leading cause of HIV in the United States. African Americans made up a full two-thirds of all heterosexually acquired HIV/AIDS cases between 2005 and 2008. Few demonstrated efficacious HIV prevention interventions designed specifically for adult, African-American heterosexual men exist. Here, we describe the process used to design a theory-based HIV prevention intervention to increase condom use, reduce concurrent partnering, and increase HIV testing among heterosexually active African-American men living in high HIV prevalence areas of New York City. The intervention integrated empowerment, social identity, and rational choices theories and focused on four major content areas: HIV/AIDS testing and education; condom skills training; key relational and behavioral turning points; and masculinity and fatherhood.

  6. Structural, photophysical, and theoretical studies of imidazole-based excited-state intramolecular proton transfer molecules

    Science.gov (United States)

    Somasundaram, Sivaraman; Kamaraj, Eswaran; Hwang, Su Jin; Park, Sanghyuk

    2018-02-01

    Imidazole-based excited state intramolecular proton transfer (ESIPT) blue fluorescent molecules, 2-(1-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (BHPI-Cl) and 2-(1-(4-bromophenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (BHPI-Br) were designed and synthesized by Debus-Radziszewski method through a one-pot multicomponent reaction in high yield. The synthesized compounds were fully characterized by 1H NMR, 13C NMR, FT-IR, FT-Raman, GC-Mass, and elemental analysis. The molecular structures in single crystal lattice were studied by X-ray crystallographic analysis. Because of the intramolecular hydrogen bonding, hydroxyphenyl group is planar to the central imidazole ring, while the other phenyl rings gave distorted conformations to the central heterocyclic ring. BHPI-Cl and BHPI-Br molecules showed intense ESIPT fluorescence at 480 nm, because the two twisted phenyl rings on 4- and 5-positions have reduced intermolecular interaction between adjacent molecules in each crystal through a head-to-tail packing manner. Quantum chemical calculations of energies were carried out by (TD-)DFT using B3LYP/6-31G(d, p) basis set to predict the electronic absorption spectra of the compounds, and they showed good agreement between the computational and the experimental values. The thermal analyses of the synthesized molecules were also carried out by TGA/DSC method.

  7. Triphenylamine based organic dyes for dye sensitized solar cells: A theoretical approach

    Energy Technology Data Exchange (ETDEWEB)

    Mohankumar, V.; Pandian, Muthu Senthil; Ramasamy, P., E-mail: ramasamyp@ssn.edu.in [SSN Research Centre, SSN College of Engineering, Chennai-603110, Tamilnadu (India)

    2016-05-23

    The geometry, electronic structure and absorption spectra for newly designed triphenylamine based organic dyes were investigated by density functional theory (DFT) and time dependent density functional theory (TD-DFT) with the Becke 3-Parameter-Lee-Yang-parr(B3LYP) functional, where the 6-31G(d,p) basis set was employed. All calculations were performed using the Gaussian 09 software package. The calculated HOMO and LUMO energies show that charge transfer occurs in the molecule. Ultraviolet–visible (UV–vis) spectrum was simulated by TD-DFT in gas phase. The calculation shows that all of the dyes can potentially be good sensitizers for DSSC. The LUMOs are just above the conduction band of TiO{sub 2} and their HOMOs are under the reduction potential energy of the electrolytes (I{sup −}/I{sub 3}{sup −}) which can facilitate electron transfer from the excited dye to TiO{sub 2} and charge regeneration process after photo oxidation respectively. The simulated absorption spectrum of dyes match with solar spectrum. Frontier molecular orbital results show that among all the three dyes, the “dye 3” can be used as potential sensitizer for DSSC.

  8. The Determination of Physical Activity among Girl Adolescents based on Trans-theoretical model (TTM

    Directory of Open Access Journals (Sweden)

    Masoumeh Alidosti

    2017-07-01

    Full Text Available Background It has been proved that physical activity has positive effects for all people. However, low activity is common among adolescents especially girl teenagers. The present study aimed to determine the condition of physical activity among girl adolescents by use of the stages of change derived from Trantheoretical model (TTM. Materials and Methods: This descriptive- analytical investigation was done (in 2016 and 2017 school year in the first – round girl high school among 324 students studying in state schools of Shahrekord city (Western Iran. They were selected through clustering method. The data were collected by researcher-made questionnaires including demographic characteristics, knowledge construct and the stages of change (pre-contemplation, contemplation, preparation, action and maintenance. The collected data were analyzed by SPSS (version 18.0. Results The mean age of participants was 13.69+ 1.95 years old. The mean score of girls' knowledge about types of physical activity was 53.18± 21.82 (a total of 100 scores, which represents the average level of knowledge among them. The study of physical activity in students based on stages of change showed that 165 ones (43 %, 102 ones (26.6 % and only 22 ones (5.7 % of the studied students were in precontemplation, contemplation and maintenance stages, respectively. There was a significant relation between students' knowledge level and their mothers' age (P

  9. Analysis of earth albedo effect on sun sensor measurements based on theoretical model and mission experience

    Science.gov (United States)

    Brasoveanu, Dan; Sedlak, Joseph

    1998-01-01

    Analysis of flight data from previous missions indicates that anomalous Sun sensor readings could be caused by Earth albedo interference. A previous Sun sensor study presented a detailed mathematical model of this effect. The model can be used to study the effect of both diffusive and specular reflections and to improve Sun angle determination based on perturbed Sun sensor measurements, satellite position, and an approximate knowledge of attitude. The model predicts that diffuse reflected light can cause errors of up to 10 degrees in Coarse Sun Sensor (CSS) measurements and 5 to 10 arc sec in Fine Sun Sensor (FSS) measurements, depending on spacecraft orbit and attitude. The accuracy of these sensors is affected as long as part of the illuminated Earth surface is present in the sensor field of view. Digital Sun Sensors (DSS) respond in a different manner to the Earth albedo interference. Most of the time DSS measurements are not affected, but for brief periods of time the Earth albedo can cause errors which are a multiple of the sensor least significant bit and may exceed one degree. This paper compares model predictions with Tropical Rainfall Measuring Mission (TRMM) CSS measurements in order to validate and refine the model. Methods of reducing and mitigating the impact of Earth albedo are discussed. ne CSS sensor errors are roughly proportional to the Earth albedo coefficient. Photocells that are sensitive only to ultraviolet emissions would reduce the effective Earth albedo by up to a thousand times, virtually eliminating all errors caused by Earth albedo interference.

  10. The Spiritually-Based Organization: A Theoretical Review and its Potential Role in the Third Millennium

    Directory of Open Access Journals (Sweden)

    Anselmo Ferreira Vasconcelos

    Full Text Available This paper examines whether the spiritually-based organization (SBO can be regarded as an imperative for the third millennium. As a result, it draws on the literature review of organizational spirituality, psychology of religion, positive psychology, and spirituality leadership theory in order to support its conclusions, as well as it offers some research propositions. Overall, the evidence gathered throughout this paper suggests that the spiritual paradigm starts to play a key role alongside with the concept of SBOs. Rather, it concludes that these topics can be regarded as authentic imperatives for this millennium. Nonetheless, it argues that is likely to take some time until the spirituality topic may mold, so to speak, organizations' character regarding that spiritual theme is starting to become a noteworthy topic. Furthermore, it argues that the logic that has prevailed on business enterprises has been largely economic, except some honorable initiatives. The findings also indicate that the material paradigm is not suited to deal with germane problems that shape our today's world. Finally, it suggests that the concept of SBO embraces positive changes and, as such, it may be potentially conducive to improving people lives and the planet's health and equilibrium.

  11. Elastic full waveform inversion based on the homogenization method: theoretical framework and 2-D numerical illustrations

    Science.gov (United States)

    Capdeville, Yann; Métivier, Ludovic

    2018-05-01

    Seismic imaging is an efficient tool to investigate the Earth interior. Many of the different imaging techniques currently used, including the so-called full waveform inversion (FWI), are based on limited frequency band data. Such data are not sensitive to the true earth model, but to a smooth version of it. This smooth version can be related to the true model by the homogenization technique. Homogenization for wave propagation in deterministic media with no scale separation, such as geological media, has been recently developed. With such an asymptotic theory, it is possible to compute an effective medium valid for a given frequency band such that effective waveforms and true waveforms are the same up to a controlled error. In this work we make the link between limited frequency band inversion, mainly FWI, and homogenization. We establish the relation between a true model and an FWI result model. This relation is important for a proper interpretation of FWI images. We numerically illustrate, in the 2-D case, that an FWI result is at best the homogenized version of the true model. Moreover, it appears that the homogenized FWI model is quite independent of the FWI parametrization, as long as it has enough degrees of freedom. In particular, inverting for the full elastic tensor is, in each of our tests, always a good choice. We show how the homogenization can help to understand FWI behaviour and help to improve its robustness and convergence by efficiently constraining the solution space of the inverse problem.

  12. Local Cloudiness Development Forecast Based on Simulation of Solid Phase Formation Processes in the Atmosphere

    Science.gov (United States)

    Barodka, Siarhei; Kliutko, Yauhenia; Krasouski, Alexander; Papko, Iryna; Svetashev, Alexander; Turishev, Leonid

    2013-04-01

    Nowadays numerical simulation of thundercloud formation processes is of great interest as an actual problem from the practical point of view. Thunderclouds significantly affect airplane flights, and mesoscale weather forecast has much to contribute to facilitate the aviation forecast procedures. An accurate forecast can certainly help to avoid aviation accidents due to weather conditions. The present study focuses on modelling of the convective clouds development and thunder clouds detection on the basis of mesoscale atmospheric processes simulation, aiming at significantly improving the aeronautical forecast. In the analysis, the primary weather radar information has been used to be further adapted for mesoscale forecast systems. Two types of domains have been selected for modelling: an internal one (with radius of 8 km), and an external one (with radius of 300 km). The internal domain has been directly applied to study the local clouds development, and the external domain data has been treated as initial and final conditions for cloud cover formation. The domain height has been chosen according to the civil aviation forecast data (i.e. not exceeding 14 km). Simulations of weather conditions and local clouds development have been made within selected domains with the WRF modelling system. In several cases, thunderclouds are detected within the convective clouds. To specify the given category of clouds, we employ a simulation technique of solid phase formation processes in the atmosphere. Based on modelling results, we construct vertical profiles indicating the amount of solid phase in the atmosphere. Furthermore, we obtain profiles demonstrating the amount of ice particles and large particles (hailstones). While simulating the processes of solid phase formation, we investigate vertical and horizontal air flows. Consequently, we attempt to separate the total amount of solid phase into categories of small ice particles, large ice particles and hailstones. Also, we

  13. Prediction of stress- and strain-based forming limits of automotive thin sheets by numerical, theoretical and experimental methods

    Science.gov (United States)

    Béres, Gábor; Weltsch, Zoltán; Lukács, Zsolt; Tisza, Miklós

    2018-05-01

    Forming limit is a complex concept of limit values related to the onset of local necking in the sheet metal. In cold sheet metal forming, major and minor limit strains are influenced by the sheet thickness, strain path (deformation history) as well as material parameters and microstructure. Forming Limit Curves are plotted in ɛ1 - ɛ2 coordinate system providing the classic strain-based Forming Limit Diagram (FLD). Using the appropriate constitutive model, the limit strains can be changed into the stress-based Forming Limit Diagram (SFLD), irrespective of the strain path. This study is about the effect of the hardening model parameters on defining of limit stress values during Nakazima tests for automotive dual phase (DP) steels. Five limit strain pairs were specified experimentally with the loading of five different sheet geometries, which performed different strain-paths from pure shear (-2ɛ2=ɛ1) up to biaxial stretching (ɛ2=ɛ1). The former works of Hill, Levy-Tyne and Keeler-Brazier made possible some kind of theoretical strain determination, too. This was followed by the stress calculation based on the experimental and theoretical strain data. Since the n exponent in the Nádai expression is varying with the strain at some DP steels, we applied the least-squares method to fit other hardening model parameters (Ludwik, Voce, Hockett-Sherby) to calculate the stress fields belonging to each limit strains. The results showed that each model parameters could produce some discrepancies between the limit stress states in the range of higher equivalent strains than uniaxial stretching. The calculated hardening models were imported to FE code to extend and validate the results by numerical simulations.

  14. Prevention of unrecognized joint penetration during internal fixation of hip fractures: a geometric model based on Steinmetz Solid.

    Science.gov (United States)

    Mao, Yujiang; Song, Jie; Wei, Jie; Wang, Manyi

    2010-01-01

    Unrecognized joint penetration (UJP) by screw penetration through the articular surface undetectable on routine anteroposterior (AP) and lateral radiographs can cause serious complications. We have developed a geometric model to analyze UJP, and methods for the prevention of the problem. A Steinmetz Solid (SS) is the overlapping portion between two identical, vertically intersecting cylinders. The AP and lateral radiographs of a femoral head (simplified as a sphere) are projections of two cylinder-shaped images. A screw that appears to be within the femoral head in fact only lies within the cylinder. A screw apparently within the femoral head on both AP and lateral images is only confined to the SS generated by two cylinders, but not necessarily confined to the femoral head itself. We have therefore analyzed UJP using a geometric model based on SS. The geometric basis of UJP lies in the fact that the SS is larger than the sphere (femoral head) with a volume ratio of 4: π. The theoretical risk of UJP for any screw therefore can be as high as 21.5% ((4-π)/4). In reality, screws are always carefully placed to ensure a distance between the screw's tip and the edge of femoral head (tip-to-edge distance, or TED). This TED effectively lowers the risk of UJP by reducing the size of the screw-confining SS. When the SS entirely fits into (internally tangential to) the femoral head, the risk of UJP approaches zero. A TED fulfilling this requirement can be regarded as safe (approximately 0.29 x femoral head radius). With a femoral head diameter of 5 cm, the safe TED is approximately 7 mm.

  15. Theoretical investigation of the mechanism of tritiated methane dehydrogenation reaction using nickel-based catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Liang; Li, Jiamao; Deng, Bing; Yang, Yong; Wang, Heyi [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China); Li, Weiyi [School of Physics and Chemistry, Xihua University, Chengdu 610065 (China); Li, Shuo, E-mail: lishuo@cqut.edu.cn [School of Chemical Engineering, Chongqing University of Technology, Chongqing 400054 (China); Tan, Zhaoyi, E-mail: tanzhaoyi@caep.cn [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China)

    2015-06-15

    Graphical abstract: - Highlights: • Four-step dehydrogenation of CT{sub 4} catalyzed by Ni to form Ni–C by releasing T{sub 2}. • The process of Ni + CT{sub 4} → NiCT{sub 2} + T{sub 2} is more achievable than that of NiCT{sub 2} → NiC + T{sub 2}. • TNiCT → T{sub 2}NiC step is the RDS with the rate constant of k = 2.8 × 10{sup 13} exp(−313,136/RT). • The hydrogen isotope effect value of k{sub H}/k{sub T} is 2.94, and k{sub D}/k{sub T} is 1.39. • CH{sub 4} and CD{sub 4} dehydrogenations are likely to occur, accompanied by the CT{sub 4} cracking. - Abstract: The mechanism of tritiated methane dehydrogenation reaction catalyzed by nickel-based catalyst was investigated in detail by density functional theory (DFT) at the B3LYP/[6-311++G(d, p), SDD] level. The computational results indicated that the dehydrogenation of tritiated methane is endothermic. The decomposition of tritiated methane catalyzed by Ni to form Ni-based carbon (Ni–C) after a four-step dehydrogenation companied with releasing tritium. After the first and second dehydrogenation steps, Ni + CT{sub 4} formed NiCT{sub 2}. After the third and fourth dehydrogenation steps, NiCT{sub 2} formed NiC. The first and second steps of dehydrogenation occurred on both the singlet and triplet states, and the lowest energy route is Ni + CT{sub 4} → {sup 1}COM → {sup 1}TS1 → {sup 3}IM1 → {sup 3}TS2 → {sup 3}IM2. The third and fourth steps of dehydrogenation occurred on both the singlet and quintet states, and the minimum energy reaction pathway appeared to be IM3 → {sup 1}TS4 → {sup 5}IM4 → {sup 5}TS5 → {sup 5}IM5 → {sup 5}pro + T{sub 2}. The fourth step of dehydrogenation TNiCT → T{sub 2}NiC was the rate-determining step of the entire reaction with the rate constant of k{sub 2} = 2.8 × 10{sup 13} exp(−313,136/RT) (in cm{sup 3} mol{sup −1} s{sup −1}), and its activation energy barrier was calculated to be 51.8 kcal/mol. The Ni-catalyzed CH{sub 4} and CD{sub 4} cracking

  16. Theoretical realization of cluster-assembled hydrogen storage materials based on terminated carbon atomic chains.

    Science.gov (United States)

    Liu, Chun-Sheng; An, Hui; Guo, Ling-Ju; Zeng, Zhi; Ju, Xin

    2011-01-14

    The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorption of H(2) on the H-terminated chain, we show that two Li (Na) atoms each capping one end of the odd- or even-numbered carbon chain can hold ten H(2) molecules with optimal binding energies for room temperature storage. The hybridization of the Li 2p states with the H(2)σ orbitals contributes to the H(2) adsorption. However, the binding mechanism of the H(2) molecules on Na arises only from the polarization interaction between the charged Na atom and the H(2). Interestingly, additional H(2) molecules can be bound to the carbon atoms at the chain ends due to the charge transfer between Li 2s2p (Na 3s) and C 2p states. More importantly, dimerization of these isolated metal-capped chains does not affect the hydrogen binding energy significantly. In addition, a single chain can be stabilized effectively by the C(60) fullerenes termination. With a hydrogen uptake of ∼10 wt.% on Li-coated C(60)-C(n)-C(60) (n = 5, 8), the Li(12)C(60)-C(n)-Li(12)C(60) complex, keeping the number of adsorbed H(2) molecules per Li and stabilizing the dispersion of individual Li atoms, can serve as better building blocks of polymers than the (Li(12)C(60))(2) dimer. These findings suggest a new route to design cluster-assembled hydrogen storage materials based on terminated sp carbon chains.

  17. Theoretical and methodological bases of studying the symbolization of social and political reality in transit societies

    Directory of Open Access Journals (Sweden)

    O. V. Slavina

    2014-10-01

    Full Text Available This article is an attempt to form a methodological foundation to explore the process of symbolic constructioning of reality in the political systems in a state of democratic transition. From the author’s point of view, such transit systems differ with the phenomenal features of transitional type of sign-symbolic context. There are the most significant of them: the confrontation of symbols of old and new, and the formation of public anxiety due to violation of the established values (significant symbols. The result of these processes is the emergence of the conditions for increasing capacity of perception of new symbols (re-symbolization, transmigration of symbolic forms, the appearance of spontaneous symbolic interactions in the community in the form of political protests, rallies, and panic. In this regard, it is necessary to understand the possibilities of the productive management of the collective consciousness in transit period to achieve mental solidarity of concrete society with democratic values. To perform this task, author develops the appropriate tools, which are based on the phenomenological theory, the Schutz’s theory of the constitution of the multiple realities, the philosophy of symbolic forms of E. Cassirer, the theory of social construction of P. Berger and T. Luckmann, as well as Lotman’s semiotic concept. It is concluded that in the collision of alternative symbolic projects of social order it is advisable to resort to controlled symbolization (the production of special symbolic codes of political legitimation. At the same time it is important to understand the mechanisms of auto- symbolization of the society (changing of mass consciousness by virtue of the progressive development of the political culture of people. Careless use of these technologies in the countries with non-consolidated democracy may become a factor of destabilization and formation of the conditions for authoritarian rollback.

  18. A novel temperature-gradient Na±β-alumina solid electrolyte based SOx gas sensor without gaseous reference electrode

    DEFF Research Database (Denmark)

    Rao, N.; Bleek, C.M. Van den; Schoonman, J.

    1992-01-01

    An electrochemical SOx ps sensor with a tubular Na+-beta"-alumina solid electrolyte has been fabricated and tested under non-isothermal conditions. The temperature difference between the reference and working electrode of the sensor cell is about 100-degrees-C, which causes a serious deviation...... of the experimental EMF response from the value as calculated using the Nernst equation for an isothermal system. The experimental results are Consistent with the theoretical prediction for a non-isothermal system. The response time is usually less then 10 min. SEM and EDX have been employed to investigate the sensor...... material before and after use, confirming the formation of a glassy phase of Na2SO4 by an electrochemical reaction at the interface of the platinum electrodes and Na+-beta"-alumina. According to this new theoretical derivation, the sensor design could be simplified by applying the same SO2 ps at the two...

  19. Programming and machining of complex parts based on CATIA solid modeling

    Science.gov (United States)

    Zhu, Xiurong

    2017-09-01

    The complex parts of the use of CATIA solid modeling programming and simulation processing design, elaborated in the field of CNC machining, programming and the importance of processing technology. In parts of the design process, first make a deep analysis on the principle, and then the size of the design, the size of each chain, connected to each other. After the use of backstepping and a variety of methods to calculate the final size of the parts. In the selection of parts materials, careful study, repeated testing, the final choice of 6061 aluminum alloy. According to the actual situation of the processing site, it is necessary to make a comprehensive consideration of various factors in the machining process. The simulation process should be based on the actual processing, not only pay attention to shape. It can be used as reference for machining.

  20. Slurry explosives containing the combination of nitrogen-base salt and hard solid particles as sensitizer

    Energy Technology Data Exchange (ETDEWEB)

    Lyerly, W.M.

    1971-11-02

    In recent years, blasting agents, particularly those of the type known as water gels or slurry explosives have gained considerable commercial acceptance. Generally, the slurry explosives are comprised of an inorganic oxidizing salt, predominantly ammonium nitrate, a thickening agent for the liquid, water, and fuel. The density, velocity of detonation, and ability to sustain detonation are increased so that the compositions propagate in small diameter boreholes. A water-bearing slurry explosive is described containing inorganic oxidizing salt, fuel, water and thickener together with nitrogen- base salt and solid particles having a hardness of at least 4 on the Mohs scale and that have an acoustic impedance at least 2 times that of the matrix of the slurry explosive. (15 claims)

  1. All-solid-state micro-supercapacitors based on inkjet printed graphene electrodes

    Science.gov (United States)

    Li, Jiantong; Mishukova, Viktoriia; Östling, Mikael

    2016-09-01

    The all-solid-state graphene-based in-plane micro-supercapacitors are fabricated simply through reliable inkjet printing of pristine graphene in interdigitated structure on silicon wafers to serve as both electrodes and current collectors, and a following drop casting of polymer electrolytes (polyvinyl alcohol/H3PO4). Benefiting from the printing processing, an attractive porous electrode microstructure with a large number of vertically orientated graphene flakes is observed. The devices exhibit commendable areal capacitance over 0.1 mF/cm2 and a long cycle life of over 1000 times. The simple and scalable fabrication technique for efficient micro-supercapacitors is promising for on-chip energy storage applications in emerging electronics.

  2. Automated solid-phase subcloning based on beads brought into proximity by magnetic force.

    Science.gov (United States)

    Hudson, Elton P; Nikoshkov, Andrej; Uhlen, Mathias; Rockberg, Johan

    2012-01-01

    In the fields of proteomics, metabolic engineering and synthetic biology there is a need for high-throughput and reliable cloning methods to facilitate construction of expression vectors and genetic pathways. Here, we describe a new approach for solid-phase cloning in which both the vector and the gene are immobilized to separate paramagnetic beads and brought into proximity by magnetic force. Ligation events were directly evaluated using fluorescent-based microscopy and flow cytometry. The highest ligation efficiencies were obtained when gene- and vector-coated beads were brought into close contact by application of a magnet during the ligation step. An automated procedure was developed using a laboratory workstation to transfer genes into various expression vectors and more than 95% correct clones were obtained in a number of various applications. The method presented here is suitable for efficient subcloning in an automated manner to rapidly generate a large number of gene constructs in various vectors intended for high throughput applications.

  3. Polarization splitter based on interference effects in all-solid photonic crystal fibers.

    Science.gov (United States)

    Mao, Dong; Guan, Chunying; Yuan, Libo

    2010-07-01

    We propose a novel kind of polarization splitter in all-solid photonic crystal fibers based on the mode interference effects. Both the full-vector finite-element method and the semi-vector three-dimensional beam propagation method are employed to design and analyze the characteristics of the splitter. Numerical simulations show that x-polarized and y-polarized modes are split entirely along with 6.8 mm long propagation. An extinction ratio of more than 20 dB and a crosstalk of less than -20 dB are obtained within the wavelength range of 1.541-1.556 microm. The extinction ratio and the crosstalk at 1.55 microm are 28.9 and -29.0 dB for x polarization, while the extinction ratio and the crosstalk at 1.55 microm are 29.9 and -29.8 dB for y polarization, respectively.

  4. One-step production of biodiesel from Nannochloropsis sp. on solid base Mg-Zr catalyst

    International Nuclear Information System (INIS)

    Li, Yuesong; Lian, Shuang; Tong, Dongmei; Song, Ruili; Yang, Wenyan; Fan, Yong; Qing, Renwei; Hu, Changwei

    2011-01-01

    Nannochloropsis sp., one kind of green microalgae cultivated autotrophically and axenically in laboratory, is used as raw material to produce biodiesel by one-step method in an amended reactor. The effects of several reaction parameters on transesterification over Mg-Zr solid base catalyst were investigated through both conventional method and one-step method. One-step method could give a higher yield of methyl ester than conventional two-step method, which demonstrates that the present one-step method is suitable for biodiesel production from the microalgae Nannochloropsis sp. Moreover, the present one-step method realizes the convenient in situ separation of catalyst from microalgae residue which can be easily used consequently, reducing the procedure units as well as the overall costs.

  5. The former tests realized to a personal neutron dosemeter based on solid nuclear tracks detector

    International Nuclear Information System (INIS)

    Camacho, M.E.; Tavera, L.; Balcazar, M.

    1997-01-01

    Due to the increase in the use of neutron radiation a personal neutron dosemeter based on solid nuclear tracks detector (DSTN) was designed and constructed. The personal dosemeter design consists of three arrangements. The first one consists of a plastic nuclear tracks detector (LR115 or CR39) in contact with a LiF pellet. The second one is the same that above but it placed among two cadmium pellets and, the third one is formed by the alone detector without converter neither neutron absorber. The three arrangements are placed inside a plastic porta detector hermetically closed to avoid the bottom produced by environmental radon whichever both detectors (LR115 and CR39) are sensitive. In this work the former tests realized to that dosemeter are presented. (Author)

  6. A New Cogeneration Residential System Based on Solid Oxide Fuel Cells for a Northern European Climate

    DEFF Research Database (Denmark)

    Vialetto, Giulio; Rokni, Masoud

    2015-01-01

    of them received subsidies to increase installation and reduce cost. This article presents an innovative cogeneration system based on a solid oxide fuel cell (SOFC) system and heat pump for household applications with a focus on primary energy and economic savings using electric equivalent load parameter...... which is a function of the electricity and heat demand of the user, and allows different operation strategies to be considered. The proposal is to maximize the efficiency of the system and to make it profitable, even though technologies with a high purchase cost are considered. Simulations of the system...... are performed under different strategies at a resort located in a northern European climate (Denmark) to cover electricity, space heating and domestic hot water (DHW) demands. The results of these simulations are analyzed with thermodynamic and techno-economic benchmarks, considering different economic...

  7. Increasing milk solids production across lactation through genetic selection and intensive pasture-based feed system.

    Science.gov (United States)

    Coleman, J; Pierce, K M; Berry, D P; Brennan, A; Horan, B

    2010-09-01

    The objective of the study was to quantify the effect of genetic improvement using the Irish total merit index, the Economic Breeding Index (EBI), on overall performance and lactation profiles for milk, milk solids, body weight (BW), and body condition score (BCS) within 2 pasture-based systems of milk production likely to be used in the future, following abolition of the European Union's milk quota system. Three genotypes of Holstein-Friesian dairy cattle were established from within the Moorepark dairy research herd: LowNA, indicative of animals with North American origin and average or lower genetic merit at the time of the study; HighNA, North American Holstein-Friesians of high genetic merit; and HighNZ, New Zealand Holstein-Friesians of high genetic merit. Animals from within each genotype were randomly allocated to 1 of 2 possible pasture-based feeding systems (FS): 1) The Moorepark pasture (MP) system (2.64 cows/ha and 344 kg of concentrate supplement per cow per lactation) and 2) a high output per hectare (HC) system (2.85 cows/ha and 1,056 kg of concentrate supplement per cow per lactation). Pasture was allocated to achieve similar postgrazing residual sward heights for both treatments. A total of 126, 128, and 140 spring-calving dairy cows were used during the years 2006, 2007, and 2008, respectively. Each group had an individual farmlet of 17 paddocks and all groups were managed similarly throughout the study. The effects of genotype, FS, and the interaction between genotype and FS on milk production, BW, and BCS across lactation were studied using mixed models with factorial arrangements of genotype and FS accounting for the repeated cow records across years. No significant genotype by FS interaction was observed for any of the variables measured. Results show that milk solids production of the national average dairy cow can be increased across lactation through increased EBI. High EBI genotypes (HighNA and HighNZ) produced more milk solids per cow and

  8. Polymer⁻Surfactant System Based Amorphous Solid Dispersion: Precipitation Inhibition and Bioavailability Enhancement of Itraconazole.

    Science.gov (United States)

    Feng, Disang; Peng, Tingting; Huang, Zhengwei; Singh, Vikramjeet; Shi, Yin; Wen, Ting; Lu, Ming; Quan, Guilan; Pan, Xin; Wu, Chuanbin

    2018-04-24

    The rapid release of poorly water-soluble drugs from amorphous solid dispersion (ASD) is often associated with the generation of supersaturated solution, which provides a strong driving force for precipitation and results in reduced absorption. Precipitation inhibitors, such as polymers and surfactants, are usually used to stabilize the supersaturated solution by blocking the way of kinetic or thermodynamic crystal growth. To evaluate the combined effect of polymers and surfactants on maintaining the supersaturated state of itraconazole (ITZ), various surfactants were integrated with enteric polymer hydroxypropyl methylcellulose acetate succinate (HPMC AS) to develop polymer⁻surfactant based solid dispersion. The supersaturation stability was investigated by in vitro supersaturation dissolution test and nucleation induction time measurement. Compared to the ASD prepared with HPMC AS alone, the addition of d-alpha-tocopheryl polyethylene glycol 1000 succinate (TPGS) exhibited a synergistic effect on precipitation inhibition. The results indicated that the TPGS not only significantly reduced the degree of supersaturation which is the driving force for precipitation, but also provided steric hindrance to delay crystal growth by absorbing onto the surface of small particles. Subsequently, the formulations were evaluated in vivo in beagle dogs. Compared with commercial product Sporanox ® , the formulation prepared with HPMC AS/TPGS exhibited a 1.8-fold increase in the AUC (0⁻24 h) of ITZ and a 1.43-fold increase of hydroxyitraconazole (OH-ITZ) in the plasma. Similarly, the extent of absorption was increased by more than 40% when compared to the formulation prepared with HPMC AS alone. The results of this study demonstrated that the ASD based on polymer⁻surfactant system could obviously inhibit drug precipitation in vitro and in vivo, which provides a new access for the development of ASD for poorly water-soluble drug.

  9. [Theoretical and methodological bases for formation of future drivers 'readiness to application of physical-rehabilitation technologies].

    Science.gov (United States)

    Yemets, Anatoliy V; Donchenko, Viktoriya I; Scrinick, Eugenia O

    2018-01-01

    Introduction: Experimental work is aimed at introducing theoretical and methodological foundations for the professional training of the future doctor. The aim: Identify the dynamics of quantitative and qualitative indicators of the readiness of a specialist in medicine. Materials and methods: The article presents the course and results of the experimental work of the conditions of forming the readiness of future specialists in medicine. Results: Our methodical bases for studying the disciplines of the general practice and specialized professional stage of experimental training of future physicians have been worked out. Conclusions: It is developed taking into account the peculiarities of future physician training of materials for various stages of experimental implementation in the educational process of higher medical educational institutions.

  10. Photon path distribution and optical responses of turbid media: theoretical analysis based on the microscopic Beer-Lambert law.

    Science.gov (United States)

    Tsuchiya, Y

    2001-08-01

    A concise theoretical treatment has been developed to describe the optical responses of a highly scattering inhomogeneous medium using functions of the photon path distribution (PPD). The treatment is based on the microscopic Beer-Lambert law and has been found to yield a complete set of optical responses by time- and frequency-domain measurements. The PPD is defined for possible photons having a total zigzag pathlength of l between the points of light input and detection. Such a distribution is independent of the absorption properties of the medium and can be uniquely determined for the medium under quantification. Therefore, the PPD can be calculated with an imaginary reference medium having the same optical properties as the medium under quantification except for the absence of absorption. One of the advantages of this method is that the optical responses, the total attenuation, the mean pathlength, etc are expressed by functions of the PPD and the absorption distribution.

  11. Evaluation of information-theoretic similarity measures for content-based retrieval and detection of masses in mammograms

    International Nuclear Information System (INIS)

    Tourassi, Georgia D.; Harrawood, Brian; Singh, Swatee; Lo, Joseph Y.; Floyd, Carey E.

    2007-01-01

    The purpose of this study was to evaluate image similarity measures employed in an information-theoretic computer-assisted detection (IT-CAD) scheme. The scheme was developed for content-based retrieval and detection of masses in screening mammograms. The study is aimed toward an interactive clinical paradigm where physicians query the proposed IT-CAD scheme on mammographic locations that are either visually suspicious or indicated as suspicious by other cuing CAD systems. The IT-CAD scheme provides an evidence-based, second opinion for query mammographic locations using a knowledge database of mass and normal cases. In this study, eight entropy-based similarity measures were compared with respect to retrieval precision and detection accuracy using a database of 1820 mammographic regions of interest. The IT-CAD scheme was then validated on a separate database for false positive reduction of progressively more challenging visual cues generated by an existing, in-house mass detection system. The study showed that the image similarity measures fall into one of two categories; one category is better suited to the retrieval of semantically similar cases while the second is more effective with knowledge-based decisions regarding the presence of a true mass in the query location. In addition, the IT-CAD scheme yielded a substantial reduction in false-positive detections while maintaining high detection rate for malignant masses

  12. Theoretical determination of gamma spectrometry systems efficiency based on probability functions. Application to self-attenuation correction factors

    Energy Technology Data Exchange (ETDEWEB)

    Barrera, Manuel, E-mail: manuel.barrera@uca.es [Escuela Superior de Ingeniería, University of Cadiz, Avda, Universidad de Cadiz 10, 11519 Puerto Real, Cadiz (Spain); Suarez-Llorens, Alfonso [Facultad de Ciencias, University of Cadiz, Avda, Rep. Saharaui s/n, 11510 Puerto Real, Cadiz (Spain); Casas-Ruiz, Melquiades; Alonso, José J.; Vidal, Juan [CEIMAR, University of Cadiz, Avda, Rep. Saharaui s/n, 11510 Puerto Real, Cádiz (Spain)

    2017-05-11

    A generic theoretical methodology for the calculation of the efficiency of gamma spectrometry systems is introduced in this work. The procedure is valid for any type of source and detector and can be applied to determine the full energy peak and the total efficiency of any source-detector system. The methodology is based on the idea of underlying probability of detection, which describes the physical model for the detection of the gamma radiation at the particular studied situation. This probability depends explicitly on the direction of the gamma radiation, allowing the use of this dependence the development of more realistic and complex models than the traditional models based on the point source integration. The probability function that has to be employed in practice must reproduce the relevant characteristics of the detection process occurring at the particular studied situation. Once the probability is defined, the efficiency calculations can be performed in general by using numerical methods. Monte Carlo integration procedure is especially useful to perform the calculations when complex probability functions are used. The methodology can be used for the direct determination of the efficiency and also for the calculation of corrections that require this determination of the efficiency, as it is the case of coincidence summing, geometric or self-attenuation corrections. In particular, we have applied the procedure to obtain some of the classical self-attenuation correction factors usually employed to correct for the sample attenuation of cylindrical geometry sources. The methodology clarifies the theoretical basis and approximations associated to each factor, by making explicit the probability which is generally hidden and implicit to each model. It has been shown that most of these self-attenuation correction factors can be derived by using a common underlying probability, having this probability a growing level of complexity as it reproduces more precisely

  13. Solid state division progress report, period ending February 29, 1980

    Energy Technology Data Exchange (ETDEWEB)

    1980-09-01

    Research is reported concerning theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; crystal growth and characterization; and isotope research materials.

  14. Solid state division progress report, period ending February 29, 1980

    International Nuclear Information System (INIS)

    1980-09-01

    Research is reported concerning theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; crystal growth and characterization; and isotope research materials

  15. Reconstruction of structure and function in tissue engineering of solid organs: Toward simulation of natural development based on decellularization.

    Science.gov (United States)

    Zheng, Chen-Xi; Sui, Bing-Dong; Hu, Cheng-Hu; Qiu, Xin-Yu; Zhao, Pan; Jin, Yan

    2018-04-27

    Failure of solid organs, such as the heart, liver, and kidney, remains a major cause of the world's mortality due to critical shortage of donor organs. Tissue engineering, which uses elements including cells, scaffolds, and growth factors to fabricate functional organs in vitro, is a promising strategy to mitigate the scarcity of transplantable organs. Within recent years, different construction strategies that guide the combination of tissue engineering elements have been applied in solid organ tissue engineering and have achieved much progress. Most attractively, construction strategy based on whole-organ decellularization has become a popular and promising approach, because the overall structure of extracellular matrix can be well preserved. However, despite the preservation of whole structure, the current constructs derived from decellularization-based strategy still perform partial functions of solid organs, due to several challenges, including preservation of functional extracellular matrix structure, implementation of functional recellularization, formation of functional vascular network, and realization of long-term functional integration. This review overviews the status quo of solid organ tissue engineering, including both advances and challenges. We have also put forward a few techniques with potential to solve the challenges, mainly focusing on decellularization-based construction strategy. We propose that the primary concept for constructing tissue-engineered solid organs is fabricating functional organs based on intact structure via simulating the natural development and regeneration processes. Copyright © 2018 John Wiley & Sons, Ltd.

  16. Theoretical investigations of open-shell systems: 1. Spectral simulation of the 2s(2)p(2) (2)D <- 2s(2)2p (2)P(o) valence transition in the boron diargon cluster, and 2. Quantum Monte Carlo calculations of boron in solid molecular hydrogen

    Science.gov (United States)

    Krumrine, Jennifer Rebecca

    This dissertation is concerned in part with the construction of accurate pairwise potentials, based on reliable ab initio potential energy surfaces (PES's), which are fully anisotropic in the sense that multiple PES's are accessible to systems with orientational electronic properties. We have carried out several investigations of B (2s 22p 2Po) with spherical ligands: (1)an investigation of the electronic spectrum of the BAr2 complex and (2)two related studies of the equilibrium properties and spectral simulation of B embedded in solid pH 2. Our investigations suggest that it cannot be assumed that nuclear motion in an open-shell system occurs on a single PES. The 2s2p2 2 D modeled theoretically; the excited potential energy surfaces of the five-fold degenerate B(2s2p2 2D) state within the ternary complex are computed using a pairwise-additive model. A collaborative path integral molecular dynamics investigation of the equilibrium properties of boron trapped in solid para-hydrogen (pH2) and a path integral Monte Carlo spectral simulation. Using fully anisotropic pair potentials, coupling of the electronic and nuclear degrees of freedom is observed, and is found to be an essential feature in understanding the behavior and determining the energy of the impure solid, especially in highly anisotropic matrices. We employ the variational Monte Carlo method to further study the behavior of ground state B embedded in solid pH2. When a boron atom exists in a substitutional site in a lattice, the anisotropic distortion of the local lattice plays a minimal role in the energetics. However, when a nearest neighbor vacancy is present along with the boron impurity, two phenomena are found to influence the behavior of the impure quantum solid: (1)orientation of the 2p orbital to minimize the energy of the impurity and (2)distortion of the local lattice structure to promote an energetically favorable nuclear configuration. This research was supported by the Joint Program for Atomic

  17. Optical and Electrical Characteristics of Silver Ion Conducting Nanocomposite Solid Polymer Electrolytes Based on Chitosan

    Science.gov (United States)

    Aziz, Shujahadeen B.; Rasheed, Mariwan A.; Abidin, Zul H. Z.

    2017-10-01

    Optical and electrical properties of nanocomposite solid polymer electrolytes based on chitosan have been investigated. Incorporation of alumina nanoparticles into the chitosan:silver triflate (AgTf) system broadened the surface plasmon resonance peaks of the silver nanoparticles and shifted the absorption edge to lower photon energy. A clear decrease of the optical bandgap in nanocomposite samples containing alumina nanoparticles was observed. The variation of the direct-current (DC) conductivity and dielectric constant followed the same trend with alumina concentration. The DC conductivity increased by two orders of magnitude, which can be attributed to hindrance of silver ion reduction. Transmission electron microscopy was used to interpret the space-charge and blocking effects of alumina nanoparticles on the DC conductivity and dielectric constant. The ion conduction mechanism was interpreted based on the dependences of the electrical and dielectric parameters. The dependence of the DC conductivity on the dielectric constant is explained empirically. Relaxation processes associated with conductivity and viscoelasticity were distinguished based on the incomplete semicircular arcs in plots of the real and imaginary parts of the electric modulus.

  18. A Game Theoretical Approach Based Bidding Strategy Optimization for Power Producers in Power Markets with Renewable Electricity

    Directory of Open Access Journals (Sweden)

    Yi Tang

    2017-05-01

    Full Text Available In a competitive electricity market with substantial involvement of renewable electricity, maximizing profits by optimizing bidding strategies is crucial to different power producers including conventional power plants and renewable ones. This paper proposes a game-theoretic bidding optimization method based on bi-level programming, where power producers are at the upper level and utility companies are at the lower level. The competition among the multiple power producers is formulated as a non-cooperative game in which bidding curves are their strategies, while uniform clearing pricing is considered for utility companies represented by an independent system operator. Consequently, based on the formulated game model, the bidding strategies for power producers are optimized for the day-ahead market and the intraday market with considering the properties of renewable energy; and the clearing pricing for the utility companies, with respect to the power quantity from different power producers, is optimized simultaneously. Furthermore, a distributed algorithm is provided to search the solution of the generalized Nash equilibrium. Finally, simulation results were performed and discussed to verify the feasibility and effectiveness of the proposed non-cooperative game-based bi-level optimization approach.

  19. Optimization of high solids fed-batch saccharification of sugarcane bagasse based on system viscosity changes.

    Science.gov (United States)

    Liu, Yunyun; Xu, Jingliang; Zhang, Yu; Yuan, Zhenhong; Xie, Jun

    2015-10-10

    Viscosity trends in alkali-pretreated sugarcane bagasse (SCB) slurries undergoing high solids fed-batch enzymatic hydrolysis were measured for a range of solids loading from 15% to 36%. Solids liquefaction times were related to system viscosity changes. The viscosity decreased quickly for low solids loading, and increased with increasing solids content. Fed-batch hydrolysis was initiated with 15% solids loading, and an additional 8%, 7% and 6% were successively added after the system viscosity decreased to stable values to achieve a final solids content of 36%. Two enzyme-adding modes with 8.5FPU/g solid were investigated. The batch mode with all enzyme being added at the beginning of the reaction produced the highest yields, with approximately 231.7g/L total sugars and 134.9g/L glucose being obtained after 96h with nearly 60% of the final glucan conversion rate. This finding indicates that under the right conditions, the fed-batch strategy might be a plausible way to produce high sugars under high solids. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Electrical properties of fast ion conducting silver based borate glasses: Application in solid battery

    International Nuclear Information System (INIS)

    Masoud, Emad M.; Khairy, M.; Mousa, M.A.

    2013-01-01

    Graphical abstract: -- Highlights: •AgI dopant created more opened borate network structure. •Dielectric constant and loss values increased with AgI concentration. •AgI dopant enhanced both ion migration and orientation. •0.6 AgI–0.27 Ag 2 O–0.13 B 2 O 3 showed the highest DC-conductivity at room temperature. •It showed also good life time as a solid electrolyte in solid battery at room temperature. -- Abstract: The electrical properties of the ternary ionic conducting glass system xAgI–(1 – x)[0.67Ag 2 O–0.33B 2 O 3 ], where x = 0.4 , 0.5, 0.6, 0.7 and 0.8, were studied for emphasizing the influence of silver iodide concentration on the transport properties in the based borate glasses. The glasses were prepared by melt quenching technique and characterized using X-ray diffraction (XRD), FT-IR spectra and differential thermal analysis (DTA). XRD confirmed a glassy nature for all investigated compositions. Electrical conductivity (σ), dielectric constant (ε′), dielectric loss (ε ″ ) and impedance spectra (Z′–Z′′) were studied for all samples at a frequency range of 0–10 6 Hz and over a temperature range of 303–413 K. Changes of conductivity and dielectric properties with composition, temperature and frequency were analyzed and discussed. A silver iodine battery using glassy electrolyte sample with the highest ionic conductivity (x = 0.6) was studied

  1. Advanced control approach for hybrid systems based on solid oxide fuel cells

    International Nuclear Information System (INIS)

    Ferrari, Mario L.

    2015-01-01

    Highlights: • Advanced new control system for SOFC based hybrid plants. • Proportional–Integral approach with feed-forward technology. • Good control of fuel cell temperature. • All critical properties maintained inside safe conditions. - Abstract: This paper shows a new advanced control approach for operations in hybrid systems equipped with solid oxide fuel cell technology. This new tool, which combines feed-forward and standard proportional–integral techniques, controls the system during load changes avoiding failures and stress conditions detrimental to component life. This approach was selected to combine simplicity and good control performance. Moreover, the new approach presented in this paper eliminates the need for mass flow rate meters and other expensive probes, as usually required for a commercial plant. Compared to previous works, better performance is achieved in controlling fuel cell temperature (maximum gradient significantly lower than 3 K/min), reducing the pressure gap between cathode and anode sides (at least a 30% decrease during transient operations), and generating a higher safe margin (at least a 10% increase) for the Steam-to-Carbon Ratio. This new control system was developed and optimized using a hybrid system transient model implemented, validated and tested within previous works. The plant, comprising the coupling of a tubular solid oxide fuel cell stack with a microturbine, is equipped with a bypass valve able to connect the compressor outlet with the turbine inlet duct for rotational speed control. Following model development and tuning activities, several operative conditions were considered to show the new control system increased performance compared to previous tools (the same hybrid system model was used with the new control approach). Special attention was devoted to electrical load steps and ramps considering significant changes in ambient conditions

  2. The theoretical study of passive and active optical devices via planewave based transfer (scattering) matrix method and other approaches

    Energy Technology Data Exchange (ETDEWEB)

    Zhuo, Ye [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    In this thesis, we theoretically study the electromagnetic wave propagation in several passive and active optical components and devices including 2-D photonic crystals, straight and curved waveguides, organic light emitting diodes (OLEDs), and etc. Several optical designs are also presented like organic photovoltaic (OPV) cells and solar concentrators. The first part of the thesis focuses on theoretical investigation. First, the plane-wave-based transfer (scattering) matrix method (TMM) is briefly described with a short review of photonic crystals and other numerical methods to study them (Chapter 1 and 2). Next TMM, the numerical method itself is investigated in details and developed in advance to deal with more complex optical systems. In chapter 3, TMM is extended in curvilinear coordinates to study curved nanoribbon waveguides. The problem of a curved structure is transformed into an equivalent one of a straight structure with spatially dependent tensors of dielectric constant and magnetic permeability. In chapter 4, a new set of localized basis orbitals are introduced to locally represent electromagnetic field in photonic crystals as alternative to planewave basis. The second part of the thesis focuses on the design of optical devices. First, two examples of TMM applications are given. The first example is the design of metal grating structures as replacements of ITO to enhance the optical absorption in OPV cells (chapter 6). The second one is the design of the same structure as above to enhance the light extraction of OLEDs (chapter 7). Next, two design examples by ray tracing method are given, including applying a microlens array to enhance the light extraction of OLEDs (chapter 5) and an all-angle wide-wavelength design of solar concentrator (chapter 8). In summary, this dissertation has extended TMM which makes it capable of treating complex optical systems. Several optical designs by TMM and ray tracing method are also given as a full complement of this

  3. Flow electrochemical biosensors based on enzymatic porous reactor and tubular detector of silver solid amalgam

    Energy Technology Data Exchange (ETDEWEB)

    Josypčuk, Bohdan, E-mail: josypcuk@jh-inst.cas.cz [J. Heyrovský Institute of Physical Chemistry of AS CR, v.v.i., Department of Biophysical Chemistry, Dolejskova 3, Prague (Czech Republic); Barek, Jiří [Charles University in Prague, Faculty of Science, University Center of Excellence UNCE “Supramolecular Chemistry”, Department of Analytical Chemistry, UNESCO Laboratory of Environmental Electrochemistry, Albertov 6, CZ-128 43 Prague 2 (Czech Republic); Josypčuk, Oksana [J. Heyrovský Institute of Physical Chemistry of AS CR, v.v.i., Department of Biophysical Chemistry, Dolejskova 3, Prague (Czech Republic); Charles University in Prague, Faculty of Science, University Center of Excellence UNCE “Supramolecular Chemistry”, Department of Analytical Chemistry, UNESCO Laboratory of Environmental Electrochemistry, Albertov 6, CZ-128 43 Prague 2 (Czech Republic)

    2013-05-17

    Graphical abstract: -- Highlights: •Flow amperometric enzymatic biosensor was constructed. •The biosensor is based on a reactor of a novel material – porous silver solid amalgam. •Tubular amalgam detector was used for determination of decrease of O{sub 2} concentration. •Covalent bonds amalgam−thiol−enzyme contributed to the sensor long-term stability. •LOD of glucose was 0.01 mmol L{sup −1} with RSD = 1.3% (n = 11). -- Abstract: A flow amperometric enzymatic biosensor for the determination of glucose was constructed. The biosensor consists of a flow reactor based on porous silver solid amalgam (AgSA) and a flow tubular detector based on compact AgSA. The preparation of the sensor and the determination of glucose occurred in three steps. First, a self-assembled monolayer of 11-mercaptoundecanoic acid (MUA) was formed at the porous surface of the reactor. Second, enzyme glucose oxidase (GOx) was covalently immobilized at MUA-layer using N-ethyl-N′-(3-dimethylaminopropyl) carboimide and N-hydroxysuccinimide chemistry. Finally, a decrease of oxygen concentration (directly proportional to the concentration of glucose) during enzymatic reaction was amperometrically measured on the tubular detector under flow injection conditions. The following parameters of glucose determination were optimized with respect to amperometric response: composition of the mobile phase, its concentration, the potential of detection and the flow rate. The calibration curve of glucose was linear in the concentration range of 0.02–0.80 mmol L{sup −1} with detection limit of 0.01 mmol L{sup −1}. The content of glucose in the sample of honey was determined as 35.5 ± 1.0 mass % (number of the repeated measurements n = 7; standard deviation SD = 1.2%; relative standard deviation RSD = 3.2%) which corresponds well with the declared values. The tested biosensor proved good long-term stability (77% of the current response of glucose was retained after 35 days)

  4. Quantification of uncertainties in turbulence modeling: A comparison of physics-based and random matrix theoretic approaches

    International Nuclear Information System (INIS)

    Wang, Jian-Xun; Sun, Rui; Xiao, Heng

    2016-01-01

    Highlights: • Compared physics-based and random matrix methods to quantify RANS model uncertainty. • Demonstrated applications of both methods in channel ow over periodic hills. • Examined the amount of information introduced in the physics-based approach. • Discussed implications to modeling turbulence in both near-wall and separated regions. - Abstract: Numerical models based on Reynolds-Averaged Navier-Stokes (RANS) equations are widely used in engineering turbulence modeling. However, the RANS predictions have large model-form uncertainties for many complex flows, e.g., those with non-parallel shear layers or strong mean flow curvature. Quantification of these large uncertainties originating from the modeled Reynolds stresses has attracted attention in the turbulence modeling community. Recently, a physics-based Bayesian framework for quantifying model-form uncertainties has been proposed with successful applications to several flows. Nonetheless, how to specify proper priors without introducing unwarranted, artificial information remains challenging to the current form of the physics-based approach. Another recently proposed method based on random matrix theory provides the prior distributions with maximum entropy, which is an alternative for model-form uncertainty quantification in RANS simulations. This method has better mathematical rigorousness and provides the most non-committal prior distributions without introducing artificial constraints. On the other hand, the physics-based approach has the advantages of being more flexible to incorporate available physical insights. In this work, we compare and discuss the advantages and disadvantages of the two approaches on model-form uncertainty quantification. In addition, we utilize the random matrix theoretic approach to assess and possibly improve the specification of priors used in the physics-based approach. The comparison is conducted through a test case using a canonical flow, the flow past

  5. PRELIMINARY STUDIES FOR PRODUCING CRUDE LIPASE FROM TEMPE’S MOULD CULTIVATED IN RICE-HUSK-BASED SOLID MEDIA

    Directory of Open Access Journals (Sweden)

    Teuku Beuna Bardant

    2010-06-01

    Full Text Available The goal of these preliminary studies is to support Indonesian program for increasing palm oil added value through independent production technology based on Indonesian natural resources. Various palm oil derivatives could be synthesized enzymatically using lipase from microbes that available in Indonesia. Tempe's mould is available in abundance in Indonesia and had already been proved for producing lipase. This paper provides information about producing crude lipase from Tempe's mould cultivated in rice-husk-based solid media using palm oil as carbon source. Observed variables include solid media composition, optimum fermentation time, extraction and enriching process of crude lipase. The crude lipase was analyzed its hydrolysis activity on coconut oil and palm oil. The result of these preliminary studies shows that this production process is a simple and tough process and very potential to be developed.   Keywords: lipase, Tempe's mould, palm oil, solid fermentation, rice husk

  6. Preparation and characterization of plasticized palm-based polyurethane solid polymer electrolyte

    International Nuclear Information System (INIS)

    Daud, Farah Nadia; Ahmad, Azizan; Badri, Khairiah Haji

    2013-01-01

    Palm-based polyurethane solid polymer electrolyte was prepared via prepolymerization method between palm kernel oil based polyols (PKO-p) and 2,4’-diphenylmethane diisocyanate (2,4’-MDI) in acetone at room temperature with the vary amount of lithium trifuoromethanesulfonate (LiCF 3 SO 3 ) salt and polyethylene glycol (PEG). The film was analyzed using attenuated total reflection infrared (ATR-IR) spectroscopy, electrochemical impedance spectroscopy (EIS) and X-ray diffractometry (XRD). EIS result indicated ionic conductivity obtained with 30 wt% LiCF3SO3 increased to 6.55 × 10 −6 S cm −1 when 10 wt.% of plasticizer was added into the system. FTIR analysis showed the interaction between lithium ions and amine (-N-H) at 3600–3100 cm −1 , carbonyl (-C=O) at 1750–1650 cm −1 and ether (-C-O-C-) at 1150–1000 cm −1 of the polyurethane forming polymer-salt complexes. The XRD result confirmed that LiCF 3 SO 3 salt completely dissociated within the polyurethane film with the absence of crystalline peaks of LiCF 3 SO 3

  7. Investigation of itraconazole ternary amorphous solid dispersions based on povidone and Carbopol.

    Science.gov (United States)

    Meng, Fan; Meckel, Jordan; Zhang, Feng

    2017-08-30

    We investigate a ternary system that consists of itraconazole (ITZ) and two polymers: povidone K12 and Carbopol 907. The interactions between these two polymers and their effects on the properties of ternary ITZ amorphous solid dispersions (ASDs) are studied. These two polymers can form a water-insoluble complex in acidic aqueous media. The critical pH is determined to be 4.17. The weight percentage of Carbopol 907 in the interpolymer complex range from 59 to 70%, depending on the initial ratios between these two polymers in the starting solutions. This complexation is driven by a negative enthalpy change from the H-bonding between the two polymers and a positive entropy change from the freed water molecules. Due to the slow precipitation of the interpolymer complex in aqueous media, the attempt to prepare ternary ASD using solvent-controlled coprecipitation is not successful. Melt extrusion is identified to be the only viable method to prepare this ternary ASD. We find that interpolymer complex-based ASDs are physically less stable and demonstrate the poorest drug-release properties when compared to individual polymer-based binary ASDs. This study illustrates that the too strong interaction between polymers in ternary ASDs is detrimental to their performance. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Australian - US initiative to construct a silicon-based solid state quantum computer

    International Nuclear Information System (INIS)

    Clark, R.G.

    2000-01-01

    Full text: The ability of a quantum computer to carry out calculations at the atomic level by manipulation of superpositions of quantum states is expected to provide massive parallel processing leading to unprecedented computing power in applications of commercial and national significance. An overview will be given of the Australian-US initiative to construct a (nuclear spin) solid state quantum computer (SSQC) based on a precise array of 31 P dopants (nuclear spin I = 1/2) embedded in isotopically-pure 28 Si (I=0). The main goals with respect to the engineering of a SSQC prototype are the construction and characterisation of a 2-qubit device that will form the fundamental building block of a scalable, silicon-based QC and development of an 'industrial' fabrication method which constitutes a blueprint for a practical large-scale QC. Fabrication of the SSQC prototype, and its readout and control, is being approached through proving experiments on a series of test structures achievable in the near-term. I will also outline the research programs of the Special Research Centre for Quantum Computer Technology, which involves some 50 researchers at the Universities of New South Wales, Queensland and Melbourne, and how these programs link in to the projects conducted by our partner investigators at Los Alamos National Laboratory. In the first six months of research at the Centre, we are close to achieving our three year objectives

  9. Near-field optical recording based on solid immersion lens system

    Science.gov (United States)

    Hong, Tao; Wang, Jia; Wu, Yan; Li, Dacheng

    2002-09-01

    Near-field optical recording based on solid immersion lens (SIL) system has attracted great attention in the field of high-density data storage in recent years. The diffraction limited spot size in optical recording and lithography can be decreased by utilizing the SIL. The SIL near-field optical storage has advantages of high density, mass storage capacity and compatibility with many technologies well developed. We have set up a SIL near-field static recording system. The recording medium is placed on a 3-D scanning stage with the scanning range of 70×70×70μm and positioning accuracy of sub-nanometer, which will ensure the rigorous separation control in SIL system and the precision motion of the recording medium. The SIL is mounted on an inverted microscope. The focusing between long working distance objective and SIL can be monitored and observed by the CCD camera and eyes. Readout signal can be collected by a detector. Some experiments have been performed based on the SIL near-field recording system. The attempt of the near-field recording on photochromic medium has been made and the resolution improvement of the SIL has been presented. The influence factors in SIL near-field recording system are also discussed in the paper.

  10. Demonstration of high efficiency intermediate-temperature solid oxide fuel cell based on lanthanum gallate electrolyte

    International Nuclear Information System (INIS)

    Inagaki, Toru; Nishiwaki, Futoshi; Kanou, Jirou; Yamasaki, Satoru; Hosoi, Kei; Miyazawa, Takashi; Yamada, Masaharu; Komada, Norikazu

    2006-01-01

    The Kansai Electric Power Co., Inc. (KEPCO) and Mitsubishi Materials Corporation (MMC) have been jointly developing intermediate-temperature solid oxide fuel cells (SOFCs). The operation temperatures between 600 and 800 o C were set as the target, which enable SOFC to use less expensive metallic separators for cell-stacking and to carry out internal reforming of hydrocarbon fuels. The electrolyte-supported planar-type cells were fabricated using highly conductive lanthanum gallate-based electrolyte, La(Sr)Ga(Mg,Co)O 3-δ , Ni-(CeO 2 ) 1-x (SmO 1.5 ) x cermet anode, and Sm(Sr)CoO 3-δ cathode. The 1 kW-class power generation modules were fabricated using a seal-less stack of the cells and metallic separators. The 1 kW-class prototype power generation system with the module was developed with the high performance cell, which showed the thermally self-sustainability. The system included an SOFC module, a dc-ac inverter, a desulfurizer, and a heat recovery unit. It provided stable ac power output of 1 kW with the electrical efficiency of 45% LHV based on ac output by using city gas as a fuel, which was considered to be excellent for such a small power generation system. And the hot water of 90 o C was obtained using high temperature off-gas from SOFC

  11. Intermediate temperature solid oxide fuel cell based on lanthanum gallate electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Inagaki, Toru; Nishiwaki, Futoshi; Yamasaki, Satoru [The Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-choume, Amagasaki, Hyogo 661-0974 (Japan); Akbay, Taner; Hosoi, Kei [Mitsubishi Materials Corporation, Corporate Technology and Development Division, 1002-14 Mukohyama, Naka, Ibaraki 311-0102 (Japan)

    2008-07-01

    The Kansai Electric Power Co. Inc. (KEPCO) and Mitsubishi Materials Corporation (MMC) have been developing intermediate temperature solid oxide fuel cells (IT-SOFCs) which are operable at a temperature range between 600 and 800 C. There are some significant features in IT-SOFC of KEPCO-MMC: (1) highly conductive lanthanum gallate-based oxide is adopted as an electrolyte to realize high-performance disk-type electrolyte-supported cells; (2) the cell-stacks with seal-less structure using metallic separators allow residual fuel to burn around the stack and the combustion heat is utilized for thermally self-sustainable operation; (3) the separators have flexible arms by which separate compressive forces can be applied for manifold parts and interconnection parts. We are currently participating in the project by New Energy and Industrial Technology Development Organization (NEDO) to develop 10 kW-class combined heat and power (CHP) systems. In FY2006, a 10 kW-class module was developed, with which the electrical efficiency of 50%HHV was obtained based on DC 12.6 kW. In the first quarter of FY2007, the 10 kW-class CHP system using the module gave the electrical efficiency of 41%HHV on AC 10 kW and the overall efficiency of 82%HHV when exhaust heat was recovered as 60 C hot water. Currently, the operation has been accumulated for about 2500 h to evaluate the long-term stability of the system. (author)

  12. Demonstration of high efficiency intermediate-temperature solid oxide fuel cell based on lanthanum gallate electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Inagaki, Toru [Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-chome, Amagasaki, Hyogo 661-0974 (Japan)]. E-mail: inagaki@rdd.kepco.co.jp; Nishiwaki, Futoshi [Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-chome, Amagasaki, Hyogo 661-0974 (Japan); Kanou, Jirou [Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-chome, Amagasaki, Hyogo 661-0974 (Japan); Yamasaki, Satoru [Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-chome, Amagasaki, Hyogo 661-0974 (Japan); Hosoi, Kei [Mitsubishi Materials Corporation, Central Research Institute, 1002-14 Mukohyama, Naka-machi, Naka-gun, Ibaraki 311-0102 (Japan); Miyazawa, Takashi [Mitsubishi Materials Corporation, Central Research Institute, 1002-14 Mukohyama, Naka-machi, Naka-gun, Ibaraki 311-0102 (Japan); Yamada, Masaharu [Mitsubishi Materials Corporation, Central Research Institute, 1002-14 Mukohyama, Naka-machi, Naka-gun, Ibaraki 311-0102 (Japan); Komada, Norikazu [Mitsubishi Materials Corporation, Central Research Institute, 1002-14 Mukohyama, Naka-machi, Naka-gun, Ibaraki 311-0102 (Japan)

    2006-02-09

    The Kansai Electric Power Co., Inc. (KEPCO) and Mitsubishi Materials Corporation (MMC) have been jointly developing intermediate-temperature solid oxide fuel cells (SOFCs). The operation temperatures between 600 and 800 {sup o}C were set as the target, which enable SOFC to use less expensive metallic separators for cell-stacking and to carry out internal reforming of hydrocarbon fuels. The electrolyte-supported planar-type cells were fabricated using highly conductive lanthanum gallate-based electrolyte, La(Sr)Ga(Mg,Co)O{sub 3-{delta}}, Ni-(CeO{sub 2}){sub 1-x}(SmO{sub 1.5}) {sub x} cermet anode, and Sm(Sr)CoO{sub 3-{delta}} cathode. The 1 kW-class power generation modules were fabricated using a seal-less stack of the cells and metallic separators. The 1 kW-class prototype power generation system with the module was developed with the high performance cell, which showed the thermally self-sustainability. The system included an SOFC module, a dc-ac inverter, a desulfurizer, and a heat recovery unit. It provided stable ac power output of 1 kW with the electrical efficiency of 45% LHV based on ac output by using city gas as a fuel, which was considered to be excellent for such a small power generation system. And the hot water of 90 {sup o}C was obtained using high temperature off-gas from SOFC.

  13. Novel electrical energy storage system based on reversible solid oxide cells: System design and operating conditions

    Science.gov (United States)

    Wendel, C. H.; Kazempoor, P.; Braun, R. J.

    2015-02-01

    Electrical energy storage (EES) is an important component of the future electric grid. Given that no other widely available technology meets all the EES requirements, reversible (or regenerative) solid oxide cells (ReSOCs) working in both fuel cell (power producing) and electrolysis (fuel producing) modes are envisioned as a technology capable of providing highly efficient and cost-effective EES. However, there are still many challenges and questions from cell materials development to system level operation of ReSOCs that should be addressed before widespread application. This paper presents a novel system based on ReSOCs that employ a thermal management strategy of promoting exothermic methanation within the ReSOC cell-stack to provide thermal energy for the endothermic steam/CO2 electrolysis reactions during charging mode (fuel producing). This approach also serves to enhance the energy density of the stored gases. Modeling and parametric analysis of an energy storage concept is performed using a physically based ReSOC stack model coupled with thermodynamic system component models. Results indicate that roundtrip efficiencies greater than 70% can be achieved at intermediate stack temperature (680 °C) and elevated stack pressure (20 bar). The optimal operating condition arises from a tradeoff between stack efficiency and auxiliary power requirements from balance of plant hardware.

  14. High-temperature superconductivity in solid solutions based on mixed yttrium and barium cuprate

    International Nuclear Information System (INIS)

    Bazuev, G.V.; Kirsanov, N.A.; Makarova, O.V.; Zubkov, V.G.; Shveikin, G.P.

    1990-01-01

    The discovery of high-temperature superconductivity (T c = 30-40 K) in mixed lanthanum and alkaline earth cuprates La 2-x M x CuO 4 , where M = Ba and Ca (1-3) stimulated an extensive search for new superconducting phases based on mixed oxides of these elements. The superconducting transition temperature T c in LnBa 2 Cu 3 O 7-z phases is practically independent of the REE and lies between 90-96 K. The crystal structure of superconducting YBa 2 Cu 3 O 7-z is similar to perovskite, has orthorhombic symmetry (4,5), and is related to the lanthanum barium cuprite tetragonal defect structure La 3 Ba 3 Cu 6 O 14.1 (8). A study of possible solid solutions (SS) based on YBa 2 Cu 3 O 7-z through iso- or heterovalent substitution for Y 3+ and Ba 2+ and of their electrical properties seems warranted. In the present work, the authors report the synthesis, x-ray diffraction study, and specific electric resistivity of SS Y 1-x M x (Ba 1-y M y ') 2 Cu 3 O 7-z , where M = La, Lu, Sc, In, K, Zr, and Ce and M' = Ca, Sr, Mg, K, and La

  15. Paper-based quasi-solid dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Bella, Federico; Pugliese, Diego; Zolin, Lorenzo; Gerbaldi, Claudio

    2017-01-01

    Highlights: • Natural cellulose fibres as photoanode and electrolyte for dye-sensitized solar cells. • TiO_2-laden paper foils as photoanodes obtained by papermaking. • Nanoscale microfibrillated cellulose as polymer electrolyte. • Efficiencies as high as 3.55% under 1 sun irradiation. • Stability equal to 96% after 1000 h of accelerated aging test. - Abstract: Natural cellulose fibres are proposed as promising components for bioderived photoanodes and polymer electrolytes in dye-sensitized solar cells (DSSCs). In particular, TiO_2-laden paper foils, prepared by simple papermaking, can be applied to several substrates (conductive glass or plastics) instead of the high-temperature sintered traditional commercial pastes. In addition, nanoscale microfibrillated cellulose is used as reinforcing filler in acrylate/methacrylate-based thermo-set polymer electrolyte membranes prepared by means of fast, low-cost and green UV-induced free-radical photopolymerization. The laboratory-scale quasi-solid state paper-DSSCs assembled with cellulose-based electrodes and electrolytes guarantee sunlight conversion efficiencies as high as 3.55 and 5.20% at simulated light intensities of 1 and 0.2 sun, respectively, along with an excellent efficiency retention of 96% after 1000 h of accelerated aging test. The simple, low cost and green approach here specifically developed opens up intriguing prospects in the design of bio-inspired energy conversion devices showing high performance, outstanding durability and truly sustainable characteristics.

  16. Preparation and characterization of plasticized palm-based polyurethane solid polymer electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Daud, Farah Nadia; Ahmad, Azizan; Badri, Khairiah Haji [School of Chemical Science and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan (Malaysia)

    2013-11-27

    Palm-based polyurethane solid polymer electrolyte was prepared via prepolymerization method between palm kernel oil based polyols (PKO-p) and 2,4’-diphenylmethane diisocyanate (2,4’-MDI) in acetone at room temperature with the vary amount of lithium trifuoromethanesulfonate (LiCF{sub 3}SO{sub 3}) salt and polyethylene glycol (PEG). The film was analyzed using attenuated total reflection infrared (ATR-IR) spectroscopy, electrochemical impedance spectroscopy (EIS) and X-ray diffractometry (XRD). EIS result indicated ionic conductivity obtained with 30 wt% LiCF3SO3 increased to 6.55 × 10{sup −6} S cm{sup −1} when 10 wt.% of plasticizer was added into the system. FTIR analysis showed the interaction between lithium ions and amine (-N-H) at 3600–3100 cm{sup −1}, carbonyl (-C=O) at 1750–1650 cm{sup −1} and ether (-C-O-C-) at 1150–1000 cm{sup −1} of the polyurethane forming polymer-salt complexes. The XRD result confirmed that LiCF{sub 3}SO{sub 3} salt completely dissociated within the polyurethane film with the absence of crystalline peaks of LiCF{sub 3}SO{sub 3}.

  17. Norfloxacin mixed solvency based solid dispersions: An in-vitro and in-vivo investigation

    Directory of Open Access Journals (Sweden)

    Ravindra Kamble

    2017-05-01

    Full Text Available Norfloxacin (NF is a synthetic fluoro-quinolone molecule that is used for the treatment of urinary tract infections. However, due to its poor aqueous solubility, it has low oral bioavailability. The aim of the present study was to improve the aqueous solubility and dissolution profile of NF by formulating its mixed-solvency based solid dispersions (SDs. The NF-loaded SDs were prepared by a solvent evaporation technique using urea, sodium benzoate and a niacinamide hydrotropic mixture. The prepared SDs were evaluated regarding their solubility, mean particle size, in-vitro drug release and oral bioavailability. The optimized batch showed a high percentage yield of 99.04% , with a mean particle size of 132.91 μm. Optimized SDs Exhibit 96.48% drug release. The oral bioavailabilities of NF from the optimized SDs, drug alone and marketed formulation were evaluated in Wistar rats at a dose of 20.0 mg/kg. In comparison to the drug alone, approximately 6.90- and 5.0-fold increases in AUC and Cmax, respectively, were observed for NF from mixed-solvency based SDs. The superior dissolution rate due to its reduced particle size may have contributed to the increased oral bioavailability. This study demonstrated that mixed-solvency may be an alternative approach for poorly soluble drugs to improve their solubility and oral bioavailability.

  18. Hydrazone based molecular glasses for solid-state dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Aich, R.; Tran-Van, F.; Goubard, F.; Beouch, L.; Michaleviciute, A.; Grazulevicius, J.V.; Ratier, B.; Chevrot, C.

    2008-01-01

    Biscarbazole and terthiophene based molecular glasses with hydrazone functional goups (named respectively 2CzMPH and 3TDPH) have been synthesized and the thermal, optical and electrochemical properties have been studied. Differential scanning calorimetry characterizations confirm the metastable amorphous properties of these molecules with glass transition temperatures at 80 deg. C for the 3TDPH and 93 deg. C for the 2CzMPH. Their electrochemical properties have been studied and showed the effect of the conjugated hydrazone groups on the electronic delocalization of the structures. The concept of solid state dye-sensitized solar cells using hydrazone based molecular glasses has been verified with the elaboration of a SnO 2 : F/nc-TiO 2 /Ru-dye/2CzMPH /Au devices. Under full sunlight (98 mW/cm 2 , air mass 1.5) the I-V characterization of the device give a short circuit photocurrents I sc = 0.42 mA/cm 2 , open circuit voltage V oc = 500 mV with a fill factor of 0.35

  19. Solid-state (49/47)Ti NMR of titanium-based MCM-41 hybrid materials.

    Science.gov (United States)

    Ballesteros, Ruth; Fajardo, Mariano; Sierra, Isabel; Force, Carmen; del Hierro, Isabel

    2009-11-03

    Titanium solid-state NMR spectroscopy data for a series of organic-inorganic titanium MCM-41 based materials have been collected. These materials have been synthesized by first modifying the mesoporous silica MCM-41 in one step with a mixture of silanes: a triazine propyl triethoxysilane acting as functional linker and methyltrimethoxysilane or hexamethyldisilizane as capped agents to mask the remaining silanol groups. Second, the appropiate titanium precursor Ti(OPr(i))(4), [{Ti(OPr(i))(3)(OMent)}(2)] (OMent = 1R,2S,5R-(-)-menthoxo), Ti(OPr(i))(4), or [Ti(eta(5)-C(5)HMe(4))Cl(3)], has been immobilized by reaction with the modified MCM-41. Finally, after Ti(OPr(i))(4) immobilization onto the organomodified support the reaction with the chiral (+)-diethyl-l-tartrate was accomplished. The materials without functional linker have been also prepared by reaction in one step of the capped agent and the titanium precursor with the mesoporous silica. Relevant correlations of titanium NMR resonance chemical shifts and line widths can be inferred depending on different factors. The immobilization procedure used to prepare titanium-based MCM-41 hybrid materials and the choice of the silylating reagents employed to mask the silanol groups present on the silica surfaces produce significant differences in the Ti NMR spectra. Furthermore, depending on the electronic and sterical influence of the substituents directly attached to the titanium center, chemical shifts and line widths are modified providing novel information about titanium structure.

  20. Hydrazone based molecular glasses for solid-state dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Aich, R. [Laboratoire de Physicochimie des Polymeres et des Interfaces (EA 2528), Universite de Cergy-Pontoise, 5 mail Gay Lussac, 95031 Cergy Pontoise (France); Ecole Electricite de Production et Methodes Industrielles, Cergy Pontoise (France); Tran-Van, F. [Laboratoire de Physicochimie des Polymeres et des Interfaces (EA 2528), Universite de Cergy-Pontoise, 5 mail Gay Lussac, 95031 Cergy Pontoise (France)], E-mail: francois.tran-van@u-cergy.fr; Goubard, F.; Beouch, L. [Laboratoire de Physicochimie des Polymeres et des Interfaces (EA 2528), Universite de Cergy-Pontoise, 5 mail Gay Lussac, 95031 Cergy Pontoise (France); Michaleviciute, A.; Grazulevicius, J.V. [Department of Organic Technology, Kaunas University of Technology, Radvilenu Plentas 19, Kaunas LT-50254 (Lithuania); Ratier, B. [X-LIM., departement MINACOM, UMR 6172, Faculte des Sciences, 123 av. Albert Thomas 87060 Limoges cedex France (France); Chevrot, C. [Laboratoire de Physicochimie des Polymeres et des Interfaces (EA 2528), Universite de Cergy-Pontoise, 5 mail Gay Lussac, 95031 Cergy Pontoise (France)

    2008-08-30

    Biscarbazole and terthiophene based molecular glasses with hydrazone functional goups (named respectively 2CzMPH and 3TDPH) have been synthesized and the thermal, optical and electrochemical properties have been studied. Differential scanning calorimetry characterizations confirm the metastable amorphous properties of these molecules with glass transition temperatures at 80 deg. C for the 3TDPH and 93 deg. C for the 2CzMPH. Their electrochemical properties have been studied and showed the effect of the conjugated hydrazone groups on the electronic delocalization of the structures. The concept of solid state dye-sensitized solar cells using hydrazone based molecular glasses has been verified with the elaboration of a SnO{sub 2}: F/nc-TiO{sub 2}/Ru-dye/2CzMPH /Au devices. Under full sunlight (98 mW/cm{sup 2}, air mass 1.5) the I-V characterization of the device give a short circuit photocurrents I{sub sc} = 0.42 mA/cm{sup 2}, open circuit voltage V{sub oc} = 500 mV with a fill factor of 0.35.