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Sample records for glycerolysis theoretical characterization

  1. Low-temperature glycerolysis of avocado oil

    Science.gov (United States)

    Satriana, Arpi, Normalina; Supardan, Muhammad Dani; Gustina, Rizka Try; Mustapha, Wan Aida Wan

    2018-04-01

    Glycerolysis can be a useful technique for production of mono- and diacylglycerols from triacylglycerols present in avocado oil. In the present work, the effect of catalyst and co-solvent concentration on low-temperature glycerolysis of avocado oil was investigated at 40oC of reaction temperature. A hydrodynamic cavitation system was used to enhance the miscibility of the oil and glycerol phases. NaOH and acetone were used as catalyst and co-solvent, respectively. The experimental results showed that the catalyst and co-solvent concentration affected the glycerolysis reaction rate. The catalyst concentration of 1.5% and co-solvent concentration of 300% were the optimised conditions. A suitable amount of NaOH and acetone must be added to achieve an optimum of triacylglycerol conversion.

  2. Structures of Ionic Liquids Dictate the Conversion and Selectivity of Enzymatic Glycerolysis: Theoretical Characterization by COSMO-RS

    DEFF Research Database (Denmark)

    Guo, Zheng

    2008-01-01

    be quantitatively associated with the structural characteristics of the IL by means of quantum chemical and COSMO-RS calculation. Misfit interaction, Van der Waals interaction and chemical potential, etc. derived from COSMO-RS calculation are shown to be effective measures to delineate multiple interactions of ILs...

  3. Theoretical Characterization of Enclosures

    Czech Academy of Sciences Publication Activity Database

    Rohn, Jiří

    2016-01-01

    Roč. 21, October (2016), s. 140-145 ISSN 1573-1340 Institutional support: RVO:67985807 Keywords : interval linear equations * solution set * enclosure * component * characterization Subject RIV: BA - General Mathematics http://interval.louisiana.edu/reliable-computing-journal/volume-21/reliable-computing-21-pp-140-145.pdf

  4. Production of MAG via enzymatic glycerolysis

    Science.gov (United States)

    Jamlus, Norul Naziraa Ahmad; Derawi, Darfizzi; Salimon, Jumat

    2015-09-01

    Enzymatic glycerolysis of a medium chain methyl ester, methyl laurate was performed using lipase Candida antarctica (Novozyme 435) for 6 hours at 55°C. The percentage of components mixture of product were determined by using gas chromatography technique. The enzymatic reaction was successfully produced monolaurin (45.9 %), dilaurin (47.1 %) and trilaurin (7.0 %) respectively. Thin layer chromatography (TLC) plate also showed a good separation of component spots. Fourier transformation infra-red (FTIR) spectrum showed the presence of ester carbonyl at wavenumber 1739.99 cm-1 and hydrogen bonded O-H at 3512.03 cm-1. The product is potentially to be used as emulsifier and additive in food industry, pharmaceutical, as well as antibacterial.

  5. OPTIMASI PRODUKSI ENZIMATIS DIASILGLISEROL MELALUI GLISEROLISIS KONTINU [Optimization of Enzymatic Diacylglycerol Production through Continuous Glycerolysis

    Directory of Open Access Journals (Sweden)

    Tri-Panji*

    2014-06-01

    Full Text Available Diacylglycerol (DAG produced from crude palm oil (CPO is one of the healthy oils that can be consumed for daily human diet. DAG production in Indonesia is constrained by the high cost of the mostly imported lipase. To overcome this problem, research of DAG production has been carried out using crude extracts of lipase produced by local species of fungi Rhizopus oryzae. This study aims to develop a continuous process of enzymatic glycerolysis of CPO for DAG production; to establish optimum conditions of DAG production which includes flow rate of CPO and glycerolysis time; and to test the performance of lipase from the local mold R. oryzae in catalyzing continuous process of glycerolysis for the production of DAG. Lipase isolation was carried out by acetone precipitation and lipase was used as a catalyst in the continuous glycerolysis process. The glycerolysis was conducted by reacting CPO with glycerol continuously at various time periods. The optimum condition of automatic continuous glycerolysis process was achieved at a CPO flow rate of 3 mL/min with a glycerolysis time at the 18 cycles (9 hours. The conversion of DAG was 29%. The performance of lipase was proven to remain stable up to 3 times changes of CPO substrate for 9 hours of glycerolysis process with the best condition at the 3 cycles and can improved conversion of DAG until 37%.

  6. Lipase - Catalyzed glycerolysis of sunflower oil to produce partial glycerides.

    Directory of Open Access Journals (Sweden)

    Zaher, F. A.

    1998-12-01

    Full Text Available Partial glycerides were prepared by glycerolysis of sunflower oil in presence of lipase enzyme as catalyst. Six lipases of different origins were used and compared for their catalytic activity. These include Chromobacterium lipase, pancreatic lipase, Rhizopus arrhizus lipase, lyophilized lipase (plant lipase in addition to two lipase preparations derived from Rhizopus japonicas; Lilipase A-10 and Lilipase B-2. Chromobacterium lipase was found to be the most active as glycerolysis catalyst whereas lyophilized lipase; a plant preparation from wheat germ was the least active. The results have also shown that the lipase type affects also the product polarity and hence its field of application as a food emulsifier. Less polar products can be obtained using Chromobacterium lipase whereas the more polar ones using a fungal lipase preparation «Lipase A-10». The product polarity is also influenced by the process temperature but the mode of its effect is different for different lipases.

    Se prepararon glicéridos parciales mediante glicerolisis de aceite de girasol en presencia de lipasa como catalizador. Seis lipasas de orígenes diferentes se utilizaron y compararon en función de su actividad catalítica. Estas incluyeron lipasa de Chromobacterium, lipasa pancreática, lipasa de Rhizopus arrhizus, lipasa liofilizada (lipasa vegetal además de dos preparaciones de lipasa derivadas de Rhizopus japonicus: lilipase A-10 y lilipase B-2. Se encontró que la lipasa de Chromobacterium fue la más activa como catalizador en la glicerolisis mientras que la lipasa liofilizada, preparación vegetal a partir de germen de trigo, fue la menos activa. Los resultados mostraron que los tipos de lipasa afectan también a la polaridad de los productos y por tanto a los rendimientos en su aplicación como emulsificantes alimentarios. Los productos menos polares pueden obtenerse usando lipasa de

  7. Process development of continuous glycerolysis in an immobilized enzyme-packed reactor for industrial monoacylglycerol production

    DEFF Research Database (Denmark)

    Damstrup, Marianne; Kiil, Søren; Jensen, Anker Degn

    2007-01-01

    Continuous and easily operated glycerolysis was studied in different lipase-packed columns to evaluate the most potential process set-ups for industrial monoacylglycerol (MAG) production. Practical design-related issues such as enzyme-filling degree, required reaction time, mass transfer investig......Continuous and easily operated glycerolysis was studied in different lipase-packed columns to evaluate the most potential process set-ups for industrial monoacylglycerol (MAG) production. Practical design-related issues such as enzyme-filling degree, required reaction time, mass transfer...

  8. Enzymatic production of monoacylglycerols containing polyunsaturated fatty acids through an efficient glycerolysis system

    DEFF Research Database (Denmark)

    Yang, Tiankui; Rebsdorf, Morten; Engelrud, Ulrik

    2005-01-01

    be obtained at 2 h in the stirred tank reactor. The continuous glycerolysis was conducted in a packed bed reactor. MAG yield up to 70% was reached at 30-40 min residence time. The continuous glycerolysis was more sensitive to the amount of tert-butyl alcohol, and in the weight ratio to oil more than 2...... was favored. The continuous process was optimized with the assistance of response surface methodology. Optimal conditions for the packed bed reactor after all considerations were recommended as glycerol/oil 4:1 (mol/mol), temperature 40 °C, and residence time 45 min. The operation stability study showed...

  9. Sibutramine characterization and solubility, a theoretical study

    Science.gov (United States)

    Aceves-Hernández, Juan M.; Nicolás Vázquez, Inés; Hinojosa-Torres, Jaime; Penieres Carrillo, Guillermo; Arroyo Razo, Gabriel; Miranda Ruvalcaba, René

    2013-04-01

    Solubility data from sibutramine (SBA) in a family of alcohols were obtained at different temperatures. Sibutramine was characterized by using thermal analysis and X-ray diffraction technique. Solubility data were obtained by the saturation method. The van't Hoff equation was used to obtain the theoretical solubility values and the ideal solvent activity coefficient. No polymorphic phenomena were found from the X-ray diffraction analysis, even though this compound is a racemic mixture of (+) and (-) enantiomers. Theoretical calculations showed that the polarisable continuum model was able to reproduce the solubility and stability of sibutramine molecule in gas phase, water and a family of alcohols at B3LYP/6-311++G (d,p) level of theory. Dielectric constant, dipolar moment and solubility in water values as physical parameters were used in those theoretical calculations for explaining that behavior. Experimental and theoretical results were compared and good agreement was obtained. Sibutramine solubility increased from methanol to 1-octanol in theoretical and experimental results.

  10. Lipase-catalyzed glycerolysis of fish oil to obtain diacylglycerols

    Directory of Open Access Journals (Sweden)

    Baeza-Jiménez, R.

    2013-06-01

    Full Text Available Diacylglycerols (DAG rich in n-3 residues were successfully produced by Novozym 435-catalysed glycerolysis of n-3 PUFA rich fish oil. Orbital and magnetic agitations were evaluated in order to minimize mass transfer limitations and thus assure the homogeneity of the reactant mixture. Different temperatures (65, 70, 75, 80, 85 and 90 °C and speeds (300, 500, 700 and 900 rpm were tested. Optimal conditions to obtain the highest amount of DAG were: 65 °C, with a substrate molar ratio of 3:1 (oil:glycerol, 500 rpm and 15% enzyme load after 2.5 h, with a yield of 60%.Diacilglicéridos (DAG ricos en n-3 fueron producidos en la glicerolisis de aceite de pescado rico en n-3 PUFA catalizada por Novozym 435. Las agitaciones orbital y magnética fueron evaluadas con el propósito de minimizar las limitaciones de transferencia de masa y garantizar la homogeneidad de la mezcla de reactivos. Diferentes temperaturas (65, 70, 75, 80, 85 y 90 °C y velocidades de agitación (300, 500, 700 y 900 rpm fueron empleadas. Las condiciones óptimas para alcanzar la mayor cantidad de DAG fueron: 65 °C, una relación molar de sustratos 3:1 (aceite:glicerol, 500 rpm y 15% de enzima, después de 2.5 h, con un rendimiento de 60%.

  11. Monoacylglycerol synthesis via enzymatic glycerolysis using a simple and efficient reaction system

    DEFF Research Database (Denmark)

    Yang, Tiankui; MORTEN, REBSDORF; ULRIK, ENGELRUD

    2005-01-01

    TL IM and Novozym 435 were employed in a batch reaction system. Novozym 435 showed better properties in glycerolysis. The increased temperature and high glycerol/oil ratio had little effect on the yield of MAGs in such a system. The reaction in a packed bed reactor (PBR) gave lower yield of MAGs...

  12. Solvent Optimization for Efficient Enzymatic Monoacylglycerol Production Based on a Glycerolysis Reaction

    DEFF Research Database (Denmark)

    Damstrup, Marianne; Jensen, Tine; Sparsø, Flemming V.

    2005-01-01

    This study was aimed at screening solvent systems of varying polarities to identify suitable solvents for efficient and practical enzymatic glycerolysis. Several pure solvents and solvent mixtures were screened in a batch reaction system consisting of glycerol, sunflower oil, and Novozymo (R) 435...

  13. Lipase-catalyzed glycerolysis of fats and oils in ionic liquids: a further study on the reaction system

    DEFF Research Database (Denmark)

    Guo, Zheng; Xu, Xuebing

    2006-01-01

    Candida antarctica lipase B-catalyzed glycerolysis of sunflower oil in a tetraammonium-based ionic liquid (IL) was studied to elucidate its distinct characteristics and to evaluate the contributions of important parameters. Mass transfer limitations and occurring partial phase separation were found...... and enzyme loading study. Interestingly, increasing water activity resulted in a decreasing initial reaction rate and a prolonged induction period, which possibly resulted from an elevated solvation barrier and the phase separation at higher water content. Studies on thermodynamics of glycerolysis show......) equation, and the viscosity of the mixture is strongly agitation-dependent. A comparable diffusion time constant of the oil molecule in the IL to that of the reaction shows that the glycerolysis in the IL is controlled both diffusionally and kinetically, as experimentally verified by agitation effect...

  14. Fluorescein isothiocyanate: Molecular characterization by theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No 69, Lleida E-25001 (Spain); Jacquemin, Denis [Laboratoire de Chimie Theorique Appliquee, Facultes Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur (Belgium)], E-mail: denis.jacquemin@fundp.ac.be; Perpete, Eric A. [Laboratoire de Chimie Theorique Appliquee, Facultes Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur (Belgium); Aleman, Carlos [Departament d' Enginyeria Quimica, E. T. S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.edu

    2008-12-10

    Quantum mechanical calculations have been used to investigate the conformation, molecular geometry, basicity and spectroscopic properties of fluorescein isothiocyanate in both the gas-phase and aqueous solution. Specifically, calculations have been performed considering the neutral, monoanionic and dianionic forms of this important fluorescent compound. Results reveal that for the neutral form multiple conformational states are possible, all them with significant contributions, and the stability of the different conformers is similar in the gas-phase and aqueous solution. Calculation of the excitation energies revealed that spectroscopic properties are very sensitive to the relaxation effect in solution. A good agreement has been reached obtained between the experimental and theoretical values derived from time-dependent density functional theory methods for the neutral form, whereas for charged species the calculations fail to accurately reproduce the measured trends.

  15. Optimization of diacylglycerol production by glycerolysis of fish oil catalyzed by Lipozyme TL IM with Tween 65.

    Science.gov (United States)

    Monte Blanco, S F M; Santos, J S; Feltes, M M C; Dors, G; Licodiedoff, S; Lerin, L A; de Oliveira, D; Ninow, J L; Furigo, A

    2015-12-01

    The diacylglycerols (DAG) are emulsifiers with high added value used as functional additives in food, medicine, and cosmetic industries. In glycerolysis of oils for the production of DAG, the immiscibility between the substrates (glycerol and oil phases) has to be overcome, for example, by the addition of a food grade surfactant like Tween 65. The main objective of this work was to optimize the process conditions for obtaining diacylglycerols rich in the omega-3 eicosapentaenoic (EPA) and docosahexaenoic (DHA) acids, through the enzymatic glycerolysis of fish oil, in systems with Tween 65 and without this surfactant, using Lipozyme TL(®) IM as biocatalyst. The experiments were performed according to predetermined conditions varying the temperature, enzyme load, the oil to glycerol molar ratio and, when added, the surfactant load. After 6 h of reaction, it was possible to produce up to 20.76 and 13.76% of diacylglycerols from fish oil in the reactions with and without Tween 65, respectively.

  16. Production of Heat Sensitive Monoacylglycerols by Enzymatic Glycerolysis in Tert-pentanol: Process Optimization by Response Surface Methodology

    DEFF Research Database (Denmark)

    Damstrup, Marianne L.; Jensen, Tine; Sparsø, Flemming V.

    2006-01-01

    The aim of this study was to optimize production of MAG by lipase-catalyzed glycerolysis in a tert-pentanol system. Twenty-nine batch reactions consisting of glycerol, sunflower oil, tert-pentanol, and commercially available lipase (Novozym®435) were carried out, with four process parameters being...... varied: Enzyme load, reaction time, substrate ratio of glycerol to oil, and solvent amount. Response surface methodology was applied to optimize the reaction system based on the experimental data achieved. MAG, DAG, and TAG contents, measured after a selected reaction time, were used as model responses....... Well-fitting quadratic models were obtained for MAG, DAG, and TAG contents as a function of the process parameters with determination coefficients (R2) of 0.89, 0.88, and 0.92, respectively. Of the main effects examined, only enzyme load and reaction time significantly influenced MAG, DAG, and TAG...

  17. Crystal growth, characterization and theoretical studies of 4-aminopyridinium picrate

    Science.gov (United States)

    Aditya Prasad, A.; Muthu, K.; Rajasekar, M.; Meenatchi, V.; Meenakshisundaram, S. P.

    2015-01-01

    Single crystals of 4-aminopyridinium picrate (APP) were grown by slow evaporation of a mixed solvent system methanol-acetone (1:1, v/v) containing equimolar quantities of 4-aminopyridine and picric acid. Structure is elucidated by single crystal XRD analysis and the crystal belongs to monoclinic system with four molecules in the unit cell (space group P21/c) and the cell parameter values are, a = 8.513 Å (±0.015), b = 11.33 Å (±0.02), c = 14.33 Å (±0.03) and β = 104.15° (±0.019), V = 1340 A3 (±6) with refined R factors R1 = 0.0053 and wR2 = 0.0126. The electron density mapping is interpreted to find coordinates for each atom in the crystallized molecules. The various functional groups present in the molecule are confirmed by FT-IR analysis. UV-visible spectral analysis was used to determine the band gap energy of 4-aminopyridinium picrate. Powder X-ray diffraction pattern reveals the crystallinity of the as-grown crystal and it closely resembles the simulated XRD from the single crystal XRD analysis. Scanning electron microscopy reveals the surface morphology of the grown crystal. Optimized geometry is derived by Hartree-Fock theory calculations and the first-order molecular hyperpolarizability (β), theoretically calculated bond length, bond angles and excited state energy from theoretical UV-vis spectrum were estimated.

  18. Self-organized quantum rings : Physical characterization and theoretical modeling

    NARCIS (Netherlands)

    Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Koenraad, P.M.; Fomin, V.M.

    2014-01-01

    An adequate modeling of the self-organized quantum rings is possible only on the basis of the modern characterization of those nanostructures.We discuss an atomic-scale analysis of the indium distribution of self-organized InGaAs quantum rings (QRs). The analysis of the shape, size and composition

  19. Information Theoretic Characterization of Physical Theories with Projective State Space

    Science.gov (United States)

    Zaopo, Marco

    2015-08-01

    Probabilistic theories are a natural framework to investigate the foundations of quantum theory and possible alternative or deeper theories. In a generic probabilistic theory, states of a physical system are represented as vectors of outcomes probabilities and state spaces are convex cones. In this picture the physics of a given theory is related to the geometric shape of the cone of states. In quantum theory, for instance, the shape of the cone of states corresponds to a projective space over complex numbers. In this paper we investigate geometric constraints on the state space of a generic theory imposed by the following information theoretic requirements: every non completely mixed state of a system is perfectly distinguishable from some other state in a single shot measurement; information capacity of physical systems is conserved under making mixtures of states. These assumptions guarantee that a generic physical system satisfies a natural principle asserting that the more a state of the system is mixed the less information can be stored in the system using that state as logical value. We show that all theories satisfying the above assumptions are such that the shape of their cones of states is that of a projective space over a generic field of numbers. Remarkably, these theories constitute generalizations of quantum theory where superposition principle holds with coefficients pertaining to a generic field of numbers in place of complex numbers. If the field of numbers is trivial and contains only one element we obtain classical theory. This result tells that superposition principle is quite common among probabilistic theories while its absence gives evidence of either classical theory or an implausible theory.

  20. Theoretical characterizations of novel C2H5O+ reactions

    Science.gov (United States)

    Hudson, Charles E.; McAdoo, David J.

    2004-03-01

    Assorted reactions of C2H5O+ isomers are characterized by theory, including tracing their courses by means of intrinsic reaction coordinate computations. We establish that CH3CH=OH+ eliminates methane by transferring H from oxygen to a methyl hydrogen and then to the CC bond to produce CHO++CH4. This adds to the limited knowledge of the involvement of hypervalent structures in the reactions of cations in the gas phase. Second, we characterized the course of CH3CH=OH+-->H3O++HC[triple bond; length as m-dash]CH. In this dissociation, H first migrates from the methyl to the oxygen to give O-protonated vinyl alcohol, a stable intermediate. Then the H2O swings outward to over the middle of the CC bond while one of the two hydrogens on the non-O-bearing carbon revolves to between the oxygen and the two carbons, leading to formation of a [H3O+ HC[triple bond; length as m-dash]CH] complex. This complex contains sufficient energy to dissociate its partners because a high barrier is crossed in its formation. Third, we found that methane elimination from CH3O+=CH2 involves stretching of the CH3---O bond and then rotation of the methyl so that a methyl hydrogen is pointed directly toward the oxygen. This reaction is completed by further rotation of the methyl to abstract a methylene hydrogen to the opposite side of the methyl from that initially bonded to oxygen. This clearly establishes that this dissociation takes place through an ion-neutral complex. Each of the reaction coordinates for the three preceding reactions traverses a novel bonding stage involving H, evidence that such are not unusual in gas phase ion chemistry. Finally, we showed that in the rearrangement CH3O+=CH2-->CH2=O+CH3, before Ht is transferred CH2 rotates around the C=C bond from being in the skeletal plane to being perpendicular to it, and Ht remains in the skeletal plane throughout its transfer. This pathway appears to balance avoiding an orbital symmetry-forbidden suprafacial transition state with

  1. Glicerólise de óleo de peixe catalisada por lipase comercial de Rhizomucor miehei em meio com surfactante de grau alimentício Glycerolysis of fish oil catalyzed by a commercial lipase from Rhizomucor miehei in reaction media containing food grade surfactant

    Directory of Open Access Journals (Sweden)

    Joanna Silva Santos

    2013-01-01

    Full Text Available Omega-3 enriched partial acylglycerols are beneficial for human health. The aim of this study was to obtain monoacylglycerols (MAG and diacylglycerols (DAG by means of glycerolysis of fish oil catalyzed by a lipase from Rhizomucor miehei in the presence of food grade surfactants (Tween 65, 80 or 85. Glycerolysis was successful in the reaction media for all the tested surfactants, showing their potential for use as additives in such a system. The best results, however, were obtained for the reaction medium in the absence of surfactant whose peroxide value was the lowest after glycerolysis.

  2. Theoretical characterization of the topology of connected carbon nanotubes in random networks

    International Nuclear Information System (INIS)

    Heitz, Jerome; Leroy, Yann; Hebrard, Luc; Lallement, Christophe

    2011-01-01

    In recent years, a lot of attention has been paid to carbon nanotube (CNT) networks and their applications to electronic devices. Many studies concentrate on the percolation threshold and the characterization of the conduction in such materials. Nevertheless, no theoretical study has yet attempted to characterize the CNT features inside finite size CNT networks. We present a theoretical approach based on geometrical and statistical considerations. We demonstrate the possibility of explicitly determining some relations existing between two neighbor CNTs and their contact efficiency in random networks of identical CNTs. We calculate the contact probability of rigid identical CNTs and we obtain a probability of 0.2027, which turns out to be independent of the CNT density. Based on this probability, we establish also the dependence of the number of contacts per CNT as a function of the CNT density. All the theoretical results are validated by very good agreement with Monte Carlo simulations.

  3. Glycerolysis of sardine oil catalyzed by a water dependent lipase in different tert-alcohols as reaction medium

    Directory of Open Access Journals (Sweden)

    Solaesa, Á. G.

    2015-12-01

    Full Text Available The production of monoacylglycerol rich in polyunsaturated fatty acids (PUFA via enzymatic glycerolysis of sardine oil in a homogeneous system was evaluated. Reactions were conducted in two different tert-alcohols. Based on the phase equilibrium data, the amount of solvent added to create a homogeneous system has been calculated and optimized. The immobilized lipase used in this work was Lipozyme RM IM from Rhizomucor miehei, a water dependent lipase. The amount of water added as well as other reaction parameters were studied to evaluate the optimum conditions for monoacylglycerol obtencion. An initial reactant mole ratio glycerol to sardine oil 3:1, 12 wt% of water based on glycerol content and 10 wt% of lipase loading (based on weight of reactants, achieved a MAG yield of around 70%, with nearly 28 wt% PUFA, with low free fatty acid content (lower than 18 wt%.En este trabajo se ha estudiado la producción de monoacilglicéridos, ricos en ácidos grasos poliinsaturados (AGPI, mediante glicerolisis enzimática de aceite de sardina. La reacción se ha llevado a cabo en dos tert-alcoholes para conseguir de esta forma un medio homogéneo de reacción. La cantidad de disolvente añadida al medio de reacción se ha optimizado y calculado en base al equilibrio de fases de los componentes del sistema. La lipasa empleada como biocatalizador ha sido la enzima inmovilizada Lipozyme RM IM de Rhizomucor miehei, una lipasa dependiente de agua. Se ha estudiado el efecto de distintos parámetros cinéticos, así como de la cantidad de agua añadida al medio de reacción, en la producción de monoacilglicéridos. De los resultados obtenidos, se puede concluir que, para una relación molar inicial de reactantes glicerol:aceite de sardina de 3:1, un 12 % en peso de agua en base al glicerol y un 10 % en peso de lipasa, en base al peso de reactantes; se puede llegar a conseguir un rendimiento en monoacilglicéridos alrededor del 70 % en peso, con casi un 28 % en

  4. A Comparative Study of Theoretical Graph Models for Characterizing Structural Networks of Human Brain

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    Xiaojin Li

    2013-01-01

    Full Text Available Previous studies have investigated both structural and functional brain networks via graph-theoretical methods. However, there is an important issue that has not been adequately discussed before: what is the optimal theoretical graph model for describing the structural networks of human brain? In this paper, we perform a comparative study to address this problem. Firstly, large-scale cortical regions of interest (ROIs are localized by recently developed and validated brain reference system named Dense Individualized Common Connectivity-based Cortical Landmarks (DICCCOL to address the limitations in the identification of the brain network ROIs in previous studies. Then, we construct structural brain networks based on diffusion tensor imaging (DTI data. Afterwards, the global and local graph properties of the constructed structural brain networks are measured using the state-of-the-art graph analysis algorithms and tools and are further compared with seven popular theoretical graph models. In addition, we compare the topological properties between two graph models, namely, stickiness-index-based model (STICKY and scale-free gene duplication model (SF-GD, that have higher similarity with the real structural brain networks in terms of global and local graph properties. Our experimental results suggest that among the seven theoretical graph models compared in this study, STICKY and SF-GD models have better performances in characterizing the structural human brain network.

  5. The synthesis, characterization and theoretical study of nano tetrabuthylammonium trichloroiodoaluminate (III

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    shahriar Ghammamy

    2012-10-01

    Full Text Available There is provided a nano aluminate complex that has a quaternary ammonium cation. This nano system has an equal molar ratio of Al to N that has been prepared by reaction of an organic salt R+X- such as [(CH34NBr], and a Lewis acid such as AlCl3, compounds. The synthesized compound was characterized by IR, Mass, X-Ray diffraction measurements. In addition, the structure of synthesized compound was optimized at the theoretical level of the Moller-Plesser perturbations of the second order (MP2, with LanL2DZ basis set and molecular specifications such as band length and angle were extracted using Gaussian 98 program. Theoretical data show good agreement with the experimental result.

  6. Molecular characterization of some new E. coli strains theoretically responsible for both intestinal and extraintestinal infections

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    Ghaleb Adwan

    2016-06-01

    Full Text Available Strains of E. coli are divided into 3 major groups; commensal strains, diarrheagenic (intestinal E. coli pathotypes and extraintestinal pathogenic E. coli. Extraintestinal pathogenic E. coli are unlike diarrheagenic pathotypes, they have not ability to cause intestinal disease in human, but they have normal ability for long-term colonization in the gut. This study aimed to spotlight on that intestinal and extraintestinal infections are not restricted to intestinal pathotypes and extraintestinal pathogenic E. coli, respectively. A total of 102 uropathogenic E. coli isolates were collected during 2012 and 2015. A multiplex PCR was used to detect phylogenetic groups, virulence factors for extraintestinal pathogenic E. coli and intestinal E. coli pathotypes genes. Results of this research showed that 12 (11.8% uropathogenic E. coli isolates had genes that are theoretically responsible for intestinal diseases, were 10 of these isolates belonged to phylogentic group D and 2 isolates to phylogentic group A. We conclude from these results, this is the first report on the molecular characterization of E. coli that theoretically can cause both intestinal and extraintestinal infections simultaneously. The presence of these strains has a great impact on public health. More studies are necessary before definitive conclusions if these strains are a different clone that theoretically have ability to cause both intestinal and extraintestinal infections and belonged to phylogenetic groups other than A and D. Products of diarrheagenic genes in UPEC strains need further studies to detect their effects in intestinal infections

  7. Detailed Theoretical Characterization of a Transcritical CO2 Direct Expansion Ground Source Heat Pump Water Heater

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    Parham Eslami-Nejad

    2018-02-01

    Full Text Available A new avenue in modern heat pump technology is related to the use of natural refrigerants such as carbon dioxide (CO2. The use of CO2 in direct expansion ground source heat pumps (DX-GSHP has also gained significant interest as it offers opportunities for cost reduction of the ground loop, albeit some challenges remain in their development, design and use. To address these challenges and to characterize CO2-DX-GSHP performance for water heating applications, a detailed theoretical model and a fully-instrumented test apparatus was developed and built at CanmetENERGY Research Laboratory. The theoretical model was validated against a set of experimental results and adopted to investigate the performance of the system over a wide operating range. Validation results showed that the model predicts the experimental results within the measurement uncertainty. A detailed system performance analysis was also performed using the theoretical model to understand the system behavior and explore the actions required for performance improvement in future installations. The results of the analysis showed that improper design and control of some components, such as the gas cooler and ground heat exchanger can degrade the system performance by up to 25%, and the heat pump heating capacity by 7.5%.

  8. Synthesis, characterization and theoretical study of a new asymmetrical tripodal amine containing morpholine moiety

    Directory of Open Access Journals (Sweden)

    Majid Rezaeivala

    2016-11-01

    Full Text Available A new asymmetrical tripodal amine, [H3L2]Br3 containing morpholine moiety was prepared from reacting of one equivalent of N-(3-aminopropylmorpholine and two equivalents of tosylaziridine, followed by detosylation with HBr/CH3COOH. The products were characterized by various spectroscopic methods such as FAB-MS, elemental analysis, 1H and 13C NMR spectroscopy. The crystal structure of the hydrobromide salt of the latter amine, [H3L2]Br3, was also determined. For triprotonated form of the ligand L2 we can consider several microspecies and/or conformers. A theoretical study at B3LYP/6-31G∗∗ level of theory showed that the characterized microspecies is the most stable microspecies for the triprotonated form of the ligand. It was shown that the experimental NMR data for [H3L2]Br3 in solution have good correlation with the corresponding calculated data for the most stable microspecies of [H3L2]3+ in the gas phase.

  9. Prediction and theoretical characterization of p-type organic semiconductor crystals for field-effect transistor applications.

    Science.gov (United States)

    Atahan-Evrenk, Sule; Aspuru-Guzik, Alán

    2014-01-01

    The theoretical prediction and characterization of the solid-state structure of organic semiconductors has tremendous potential for the discovery of new high performance materials. To date, the theoretical analysis mostly relied on the availability of crystal structures obtained through X-ray diffraction. However, the theoretical prediction of the crystal structures of organic semiconductor molecules remains a challenge. This review highlights some of the recent advances in the determination of structure-property relationships of the known organic semiconductor single-crystals and summarizes a few available studies on the prediction of the crystal structures of p-type organic semiconductors for transistor applications.

  10. An investigation on characterizing dense coal-water slurry with ultrasound: theoretical and experimental method

    Energy Technology Data Exchange (ETDEWEB)

    Xue, M.H.; Su, M.X.; Dong, L.L.; Shang, Z.T.; Cai, X.S. [Shanghai University of Science & Technology, Shanghai (China)

    2010-07-01

    Particle size distribution and concentration in particulate two-phase flow are important parameters in a wide variety of industrial areas. For the purpose of online characterization in dense coal-water slurries, ultrasonic methods have many advantages such as avoiding dilution, the capability for being used in real time, and noninvasive testing, while light-based techniques are not capable of providing information because optical methods often require the slurry to be diluted. In this article, the modified Urick equation including temperature modification, which can be used to determine the concentration by means of the measurement of ultrasonic velocity in a coal-water slurry, is evaluated on the basis of theoretical analysis and experimental study. A combination of the coupled-phase model and the Bouguer-Lambert-Beer law is employed in this work, and the attenuation spectrum is measured within the frequency region from 3 to 12 MHz. Particle size distributions of the coal-water slurry at different volume fractions are obtained with the optimum regularization technique. Therefore, the ultrasonic technique presented in this work brings the possibility of using ultrasound for online measurements of dense slurries.

  11. Synthesis, thermogravimetric, spectroscopic and theoretical characterization of copper(II) complex with 4-chloro-2-nitrobenzenosulfonamide

    Science.gov (United States)

    Camí, G.; Chacón Villalba, E.; Di Santi, Y.; Colinas, P.; Estiu, G.; Soria, D. B.

    2011-05-01

    4-Chloro-2-nitrobenzenesulfonamide (ClNbsa) was purified and characterized. A new copper(II) complex, [Cu(ClNbsa) 2(NH 3) 2], has been prepared using the sulfonamide as ligand. The thermal behavior of both, the ligand and the Cu(II) complex, was investigated by thermogravimetric analyses (TG) and differential thermal analysis (DT), and the electronic characteristics analyzed by UV-VIS, FTIR, Raman and 1H NMR spectroscopies. The experimental IR, Raman and UV-VIS spectra have been assigned on the basis of DFT calculations at the B3LYP level of theory using the standard (6-31 + G ∗∗) basis set. The geometries have been fully optimized in vacuum and in modeled dimethylsulfoxide (DMSO) solvent, using for the latter a continuum solvation model that reproduced the experimental conditions of the UV-VIS spectroscopy. The theoretical results converged to stable conformations for the free sulfonamide and for the complex, suggesting for the latter a distorted square planar geometry in both environments.

  12. Synthesis, crystal growth, characterization and theoretical studies of 4-aminobenzophenonium picrate

    Science.gov (United States)

    Aditya Prasad, A.; Muthu, K.; Rajasekar, M.; Meenatchi, V.; Meenakshisundaram, S. P.

    2015-01-01

    Single crystals of 4-aminobenzophenonium picrate (4ABPP) were grown by slow evaporation of a mixed solvent system methanol-acetone (1:1,v/v) containing equimolar quantities of picric acid and 4-aminobenzophenone. The proton and carbon signals are confirmed by nuclear magnetic resonance spectroscopy. The various functional groups present in the molecule are identified by FT-IR analysis. Optimized geometry, first-order molecular hyperpolarizability (β), polarizability (α), bond length, bond angles and excited state energy from theoretical UV were derived by Hartree-Fock calculations. The complete assignment of the vibrational modes for 4-aminobenzophenonium picrate was performed by the scaled quantum mechanics force field (SQMFF) methodology using potential energy distribution. Natural bond orbital (NBO) calculations were employed to study the stabilities arising from charge delocalization and intermolecular interactions of 4ABPP. The atomic charge distributions of the various atoms present in 4ABPP are obtained by Mulliken charge population analysis. The as-grown crystal is further characterized by thermal and optical absorbance studies.

  13. The synthesis, characterization, crystal structure and theoretical calculations of a new meso-BOBIPY substituted phthalonitrile

    International Nuclear Information System (INIS)

    Sen, Pinar; Yildiz, S. Zeki; Atalay, Yusuf; Dege, Necmi; Demirtas, Günes

    2014-01-01

    A novel 4-(2-meso-BOBIPY-phenoxy)phthalonitrile (6) derivative has been synthesized starting from BF 3 –OEt 2 complex and 4-(2-meso-dipyrromethene-phenoxy)phthalonitrile (5) which was prepared by the oxidation of 4-(2-meso-dipyrromethane-phenoxy)phthalonitrile (4). The final product exhibit noticeable spectroscopic properties which were examined by its absorption and fluorescence emission spectra. The original compounds prepared in the reaction pathway were characterized by the combination of FT-IR, 1 H and 13 C NMR, UV–vis, MS and HRMS spectral data. The final product (6) was obtained as single crystal which crystallized in the triclinic space group P-1 with a=7.9411 (6) Å, b=9.0150 (6) Å, c=14.419 (1) Å, α=74.917 (5)°, β=86.824 (6)°, γ=84.109 (5)° and Z=2. The crystal structure has intermolecular C–H···F–B and C–H···N interactions. These interactions construct bifurcated hydrogen bonds in the crystal structure. In this study, It has been calculated; molecular structure, vibrational frequencies, 1 H and 13 C NMR chemical shifts and HOMO and LUMO energies of the title compound by using B3LYP method with 6–311++G(dp) basis set, and the electronic spectral characterization was investigated for the target product, as well. - Highlights: • A novel 4-(2-meso-BOBIPY-phenoxy)phthalonitrile derivative has been synthesized. • The title product exhibit noticeable spectroscopic properties which were examined by its absorption and fluorescence emission spectra. • The final product (6) was obtained as single crystal which crystallized in the triclinic space group. • Molecular structure, vibrational frequencies, 1 H and 13 C NMR chemical shifts and HOMO and LUMO energies of the title compound were calculated theoretically. • The electronic spectral characterization was investigated, as well. • The title compound is also open to prepare further BODIPY substituted oligomeric molecules via on it

  14. Comprehensive Characterization of Palygorskite from Torrejon el Rubio (Spain) Based on Experimental Techniques and Theoretical DFT Studies

    International Nuclear Information System (INIS)

    Fernandez, A.M.; Timon, V.; Cubero, J. J.; Sanchez-Ledesma, D. M.; Gutierrez-Nebot, L.; Martinez, J. J.; Romero, C.; Labajo, M.; Melon, A.; Barrios, I.

    2013-01-01

    New data about the physico-chemical, microstructural and crystal-chemical properties of the mineral paligorskite from Torrejon el Rubio (Caceres, Spain) were obtained by a combination of experimental techniques (XRD, FRX, FTIR, TG-DSC, SEM and chemical analyses), as well as geometry optimization by means of the Density Functional Theory (DFT). This study demonstrates the applicability of the mixed theoretical-experimental work to characterize and understand the properties of clay minerals used in technological applications and environmental remediation. (Author)

  15. Comprehensive Characterization of Palygorskite from Torrejon el Rubio (Spain) Based on Experimental Techniques and Theoretical DFT Studies

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez, A.M.; Timon, V.; Cubero, J. J.; Sanchez-Ledesma, D. M.; Gutierrez-Nebot, L.; Martinez, J. J.; Romero, C.; Labajo, M.; Melon, A.; Barrios, I.

    2013-10-01

    New data about the physico-chemical, microstructural and crystal-chemical properties of the mineral paligorskite from Torrejon el Rubio (Caceres, Spain) were obtained by a combination of experimental techniques (XRD, FRX, FTIR, TG-DSC, SEM and chemical analyses), as well as geometry optimization by means of the Density Functional Theory (DFT). This study demonstrates the applicability of the mixed theoretical-experimental work to characterize and understand the properties of clay minerals used in technological applications and environmental remediation. (Author)

  16. Isolation, spectroscopic characterization, X-ray, theoretical studies as well as in vitro cytotoxicity of Samarcandin

    Czech Academy of Sciences Publication Activity Database

    Ghoran, S.H.; Atabaki, V.; Babaei, E.; Olfatkhah, S.R.; Dušek, Michal; Eigner, Václav; Soltani, A.; Khalaji, A.D.

    2016-01-01

    Roč. 66, Jun (2016), s. 27-32 ISSN 0045-2068 R&D Projects: GA ČR GA15-12653S; GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : cytotoxicity * NMR * sesquiterpene coumarin * theoretical study * TD-DFT * X-ray Subject RIV: CC - Organic Chemistry Impact factor: 3.231, year: 2016

  17. Strategies to inhibit the lipid oxidation in the enzymatic synthesis of monoglycerides by glycerolysis of Babassu oil - doi: 10.4025/actascitechnol.v35i3.14187

    Directory of Open Access Journals (Sweden)

    Larissa Freitas

    2013-06-01

    Full Text Available Different strategies to avoid the lipid feedstock oxidation in the enzymatic synthesis of monoglycerides (MAG from glycerolysis of babassu oil were tested. The reactions were catalyzed by Burkholderia cepacia lipase immobilized on SiO2-PVA and the tests carried out in batchwise. The best strategy was tested in a continuous packed-bed reactor. Different antioxidants and emulsifiers were used, including: Buthyl-hydroxy-toluene (BHT, tocopherol, soy lecithin and Triton X-100. The influence of inert atmosphere (N2 on the MAG production was also investigated. Results were compared with those attaining in the control reaction. The best performance was obtained using N2 in the reaction medium, preventing the oxidation of babassu oil. MAG concentrations were 60 and 24% in batch and continuous mode, respectively. Among the tested antioxidant and emulsifying agents, only soy lecithin was found to be efficient but its application showed limit performance to be used in continuous runs.  

  18. Theoretical analysis and modeling of Thickness-Expansion Mode (TEM) sensors for fluid characterization.

    Science.gov (United States)

    Elvira, Luis; Resa, Pablo; Castro, Pedro

    2013-03-01

    In this paper, the principles of Thickness-Expansion Mode (TEM) resonators for the characterization of fluids are described. From the measurement of the resonance parameters of a TEM piezoelectric transducer, the compressional acoustic impedance of gases and liquids can be determined. Since the propagation of mechanical waves into the fluid is not necessary, information in a wide range of frequencies can be obtained. Alternatively, these sensors can be driven in combination with other ultrasonic techniques to simultaneously determine the density, speed of sound and viscosity of samples. Some potential applications include the probe monitoring of processes and the characterization of fluids under harsh conditions. The main experimental criteria for the design and construction of high-resolution impedance meters (such as piezoelectric material, protective coating or thermal response) have been studied using equivalent electrical circuit modeling and finite element analysis. Copyright © 2012 Elsevier B.V. All rights reserved.

  19. 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.

  20. Mid-infrared volume diffraction gratings in IG2 chalcogenide glass: fabrication, characterization, and theoretical verification

    Science.gov (United States)

    Butcher, Helen L.; MacLachlan, David G.; Lee, David; Brownsword, Richard A.; Thomson, Robert R.; Weidmann, Damien

    2018-02-01

    Ultrafast laser inscription (ULI) has previously been employed to fabricate volume diffraction gratings in chalcogenide glasses, which operate in transmission mode in the mid-infrared spectral region. Prior gratings were manufactured for applications in astrophotonics, at wavelengths around 2.5 μm. Rugged volume gratings also have potential use in remote atmospheric sensing and molecular spectroscopy; for these applications, longer wavelength operation is required to coincide with atmospheric transparency windows (3-5 μm) and intense ro-vibrational molecular absorption bands. We report on ULI gratings inscribed in IG2 chalcogenide glass, enabling access to the full 3-5 μm window. High-resolution broadband spectral characterization of fabricated gratings was performed using a Fourier transform spectrometer. The zeroth order transmission was characterized to derive the diffraction efficiency into higher orders, up to the fourth orders in the case of gratings optimized for first order diffraction at 3 μm. The outcomes imply that ULI in IG2 is well suited for the fabrication of volume gratings in the mid infrared, providing the impact of the ULI fabrication parameters on the grating properties are well understood. To develop this understanding, grating modeling was conducted. Parameters studied include grating thickness, refractive index modification, and aspect ratio of the modulation achieved by ULI. Knowledge of the contribution and sensitivity of these parameters was used to inform the design of a 4.3 μm grating expected to achieve > 95% first order efficiency. We will also present the characterization of these latest mid-infrared diffraction gratings in IG2.

  1. Electromagnetic characterization of bianisotropic metasurfaces on refractive substrates: General theoretical framework

    Energy Technology Data Exchange (ETDEWEB)

    Albooyeh, M.; Tretyakov, Sergei [Department of Radio Science and Engineering, Aalto University, P.O. Box 13000, FI-00076, Aalto (Finland); Simovski, Constantin [Department of Radio Science and Engineering, Aalto University, P.O. Box 13000, FI-00076, Aalto (Finland); Laboratory of Metamaterials, University for Information Technology, Mechanics and Optics (ITMO), 197101, St. Petersburg (Russian Federation)

    2016-10-15

    We present a general methodology for electromagnetic homogenization and characterization of bianisotropic metasurfaces formed by regular or random arrangements of small arbitrary inclusions at interfaces of two different isotropic media. The approach unites and generalizes the earlier theories developed independently by two joint research groups: that of profs. Holloway and Kuester and that of profs. Simovski and Tretyakov. We analyze the features of both formalisms and discuss their peculiarities in several example cases. Our theory can be used in the analysis and synthesis of a wide spectrum of metasurfaces. (copyright 2016 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole

    Science.gov (United States)

    Saglam, S.; Disli, A.; Erdogdu, Y.; Marchewka, M. K.; Kanagathara, N.; Bay, B.; Güllüoğlu, M. T.

    2015-01-01

    In this study, 5-(benzylthio)-1-cylopentyl-1H-tetrazole (5B1C1HT) have been synthesized. Boiling points of the obtained compound have been determined and it has been characterized by FT-IR, 1H NMR, 13C-APT and LC-MS spectroscopy techniques. The FT-IR, 1H NMR and 13C-APT spectral measurements of the 5B1C1HT compound and complete assignment of the vibrational bands observed in spectra has been discussed. The spectra were interpreted with the aid of normal coordinate analysis following full structure optimization and force field calculations based on Density Functional Theory (DFT) at 6-311++G**, cc-pVDZ and cc-pVTZ basis sets. The optimized geometry with 6-311++G** basis sets were used to determine the total energy distribution, harmonic vibrational frequencies, IR intensities.

  3. Organic compounds containing methoxy and cyanoacrylic acid: Synthesis, characterization, crystal structures, and theoretical studies

    Energy Technology Data Exchange (ETDEWEB)

    Khalaji, A. D., E-mail: alidkhalaji@yahoo.com [Golestan University, Department of Chemistry, Faculty of Science (Iran, Islamic Republic of); Maddahi, E. [Iran University of Science & Technology, Ms.C Educated, Department of Chemistry (Iran, Islamic Republic of); Dusek, M.; Fejfarova, K. [Institute of Physics of the ASCR, v.v.i. (Czech Republic); Chow, T. J. [Academia Sinica, Institute of Chemistry (China)

    2015-12-15

    Metal-free organic compounds 24-SC ((E)-2-cyano-3-(2,4-dimethoxyphenyl)acrylic acid) and 34-SC ((E)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid), containing methoxy groups as a donor and the acrylic acid as an acceptor were synthesized and characterized by CHN, FT-IR, UV-Vis, {sup 1}H-NMR and single crystal X-ray diffraction and used as photosensitizers for the application of dye-sensitized solar cells (DSSC). The sensitizing characteristics of them were evaluated. Both compounds contain the natural molecule, its anionic form and the piperidinium cation and they differ by number of these molecules in the asymmetric unit. To get further insight into the effect of molecular structure on the performance of DSSC, their geometry and energies of HOMO and LUMO were optimized by density functional theory calculation at the B3LYP/6-31G(d) level with Gaussian 03. Overall conversion efficiencies of 0.78 under full sunlight irradiation are obtained for DSSCs based on the new metal-free organic dyes 24-SC and 34-SC.

  4. Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

    KAUST Repository

    Silver, Scott

    2018-02-13

    This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1 layered perovskite butylammonium lead iodide and bromide, BA2PbI4 and BA2PbBr4, characterized by optical absorption and X-ray diffraction, to determine their valence and conduction band densities of states, transport gaps, and exciton binding energies. The electron spectroscopy results are compared with the densities of states determined by density functional theory calculations. The remarkable agreement between experiment and calculation enables a detailed identification and analysis of the organic and inorganic contributions to the valence and conduction bands of these two hybrid perovskites. The electron affinity and ionization energies are found to be 3.1 and 5.8 eV for BA2PbI4, and 3.1 and 6.5 eV for BA2PbBr4. The exciton binding energies are estimated to be 260 and 300 meV for the two materials, respectively. The 2D lead iodide and bromide perovskites exhibit significantly less band dispersion and a larger density of states at the band edges than the 3D analogs. The effects of using various organic ligands are also discussed.

  5. The nuclear core of sun: theoretical perspectives and characterization of the scientific performances of the GOLF / SOHO experiment detector

    International Nuclear Information System (INIS)

    Dzitko, H.

    1995-01-01

    The subject of this thesis is the nuclear core of the sun. The first part is theoretical and concerns neutrino flux predictions. A precise description of the solar plasma is necessary to predict boron, beryllium and CNO cycle neutrinos. We treat here the nuclear reaction rates. They are mainly determined by the cross sections and the enhancement factors due to plasma particles, the co-called screening factors. We have discussed the various possible formalisms that could be used in stellar evolution and performed direct calculations of screened cross sections. We concluded that the screening prescriptions which have been used so far in stellar evolution should be replaced by the Mitler formalism. Next, we examine the cross section uncertainties and we show that it is possible to get a better agreement between theory and experiment. Discrepancies between the gallium experiments and the calculations suggest that we should go beyond the classical solar model. This has motivated our study on possible magnetic fields deeply buried in the solar core. We discuss here the influence of a magnetic pressure perturbation on solar evolution. In the experimental part of this work, we deal with the GOLF experiment, one of the three helio-seismological experiments on board the space probe SOHO. The purpose of this instrument is the study of the global oscillation modes in the frequency range 10 -7 to 6 10 -3 Hz with a sensitivity for frequencies higher than 2 10 -4 Hz of about 1 mm/s over 20 days of continuous integration at counting rates of 12 10 6 cs/s. One part of this work was devoted to the precise characterization of the photomultipliers and their associated electronics in order to select them according to their intrinsic performances. This step was followed by long duration tests of three weeks simulating as well as possible the flight conditions. We show that the detection chain effectively meets the stability requirements of around 10 -7 by velocity measurement. We also

  6. Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

    KAUST Repository

    Silver, Scott; Yin, Jun; Li, Hong; Bredas, Jean-Luc; Kahn, Antoine

    2018-01-01

    This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1

  7. Theoretical Study on Synchronous Characterization of Surface and Interfacial Mechanical Properties of Thin-Film/Substrate Systems with Residual Stress Based on Pressure Blister Test Technique

    Directory of Open Access Journals (Sweden)

    Zhi-xin Yang

    2018-01-01

    Full Text Available In this study, based on the pressure blister test technique, a theoretical study on the synchronous characterization of surface and interfacial mechanical properties of thin-film/substrate systems with residual stress was presented, where the problem of axisymmetric deformation of a blistering film with initial stress was analytically solved and its closed-form solution was presented. The expressions to determine Poisson’s ratios, Young’s modulus, and residual stress of surface thin films were derived; the work done by the applied external load and the elastic energy stored in the blistering thin film were analyzed in detail and their expressions were derived; and the interfacial adhesion energy released per unit delamination area of thin-film/substrate (i.e., energy release rate was finally presented. The synchronous characterization technique presented here has theoretically made a big step forward, due to the consideration for the residual stress in surface thin films.

  8. Theoretical characterization of the spatial resolution intra-operative probes; Caracterizacion teorica de la resolucion espacial de sondas intraoperatorias

    Energy Technology Data Exchange (ETDEWEB)

    Agramunt Chaler, S.; Jurado Bruggeman, D.; Munoz Montplet, C.

    2013-07-01

    This work intends to check that the characterization of the spatial profiles obtained by a an intraoperative probe in the presence of a point source is possible enough making use only of the parameters down time sensitivity and opening of the collimator. (Author)

  9. Adhesion strength of Ni film on Ti substrate characterized by three-point bend test, peel test and theoretic calculation

    International Nuclear Information System (INIS)

    Ren, F.Z.; Liu, P.; Jia, S.G.; Tian, B.H.; Su, J.H.

    2006-01-01

    Electroplating was employed to fabricate the Ni film on the Ti substrate. Adhesion strength of Ni film on Ti substrate was determined using the three-point bend technique that was proposed in standard mechanics test. The experimental results demonstrate that the interface fracture energies obviously increase with the roughness of Ti substrates, and are independence with the thickness of Ni films. Moreover, the adhesion strength of Ni film on Ti substrate was also measured by peel test, and was evaluated by Miedema model of experiential electron theory. The intrinsic interface fracture energy measured by three-point bend test is reasonable agreement with that obtained by theoretical calculation of Miedema model, and is roughly comparable to that by peel test

  10. High-level theoretical characterization of the vinoxy radical (•CH2CHO) + O2 reaction

    Science.gov (United States)

    Weidman, Jared D.; Allen, Ryan T.; Moore, Kevin B.; Schaefer, Henry F.

    2018-05-01

    Numerous processes in atmospheric and combustion chemistry produce the vinoxy radical (•CH2CHO). To understand the fate of this radical and to provide reliable energies needed for kinetic modeling of such processes, we have examined its reaction with O2 using highly reliable theoretical methods. Utilizing the focal point approach, the energetics of this reaction and subsequent reactions were obtained using coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)] extrapolated to the complete basis set limit. These extrapolated energies were appended with several corrections including a treatment of full triples and connected quadruple excitations, i.e., CCSDT(Q). In addition, this study models the initial vinoxy radical + O2 reaction for the first time with multireference methods. We predict a barrier for this reaction of approximately 0.4 kcal mol-1. This result agrees with experimental findings but is in disagreement with previous theoretical studies. The vinoxy radical + O2 reaction produces a 2-oxoethylperoxy radical which can undergo a number of unimolecular reactions. Abstraction of a β-hydrogen (a 1,4-hydrogen shift) and dissociation back to reactants are predicted to be competitive to each other due to their similar barriers of 21.2 and 22.3 kcal mol-1, respectively. The minimum-energy β-hydrogen abstraction pathway produces a hydroperoxy radical (QOOH) that eventually decomposes to formaldehyde, CO, and •OH. Two other unimolecular reactions of the peroxy radical are α-hydrogen abstraction (38.7 kcal mol-1 barrier) and HO2• elimination (43.5 kcal mol-1 barrier). These pathways lead to glyoxal + •OH and ketene + HO2• formation, respectively, but they are expected to be uncompetitive due to their high barriers.

  11. Crystal growth, characterization and theoretical studies of alkaline earth metal-doped tetrakis(thiourea)nickel(II) chloride.

    Science.gov (United States)

    Agilandeshwari, R; Muthu, K; Meenatchi, V; Meena, K; Rajasekar, M; Aditya Prasad, A; Meenakshisundaram, S P

    2015-02-25

    The influence of Sr(II)-doping on the properties of tetrakis(thiourea)nickel(II) chloride (TTNC) has been described. The reduction in the intensity observed in powder X-ray diffraction of doped specimen and slight shifts in vibrational frequencies of doped specimens confirm the lattice stress as a result of doping. Surface morphological changes due to doping of the Sr(II) are observed by scanning electron microscopy. The incorporation of metal into the host crystal lattice was confirmed by energy dispersive X-ray spectroscopy. Lattice parameters are determined by single crystal XRD analysis. The thermogravimetric and differential thermal analysis studies reveal the purity of the materials and no decomposition is observed up to the melting point. The nonlinear optical properties of the doped and undoped specimens were studied. Theoretical calculations were performed using the Density functional theory (DFT) method with B3LYP/LANL2DZ as the basis set. The molecular geometry and vibrational frequencies of TTNC in the ground state were calculated and the observed structural parameters of TTNC are compared with parameters obtained from single crystal X-ray studies. The atomic charge distributions are obtained by Mulliken charge population analysis. The first-order molecular hyperpolarizability, polarizability and dipole moment were derived. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. The reciprocity law concerning light dose relationships applied to BisGMA/TEGDMA photopolymers: theoretical analysis and experimental characterization.

    Science.gov (United States)

    Wydra, James W; Cramer, Neil B; Stansbury, Jeffrey W; Bowman, Christopher N

    2014-06-01

    A model BisGMA/TEGDMA unfilled resin was utilized to investigate the effect of varied irradiation intensity on the photopolymerization kinetics and shrinkage stress evolution, as a means for evaluation of the reciprocity relationship. Functional group conversion was determined by FTIR spectroscopy and polymerization shrinkage stress was obtained by a tensometer. Samples were polymerized with UV light from an EXFO Acticure with 0.1wt% photoinitiator. A one-dimensional kinetic model was utilized to predict the conversion-dose relationship. As irradiation intensity increased, conversion decreased at a constant irradiation dose and the overall dose required to achieve full conversion increased. Methacrylate conversion ranged from 64±2% at 3mW/cm(2) to 78±1% at 24mW/cm(2) while the final shrinkage stress varied from 2.4±0.1MPa to 3.0±0.1MPa. The ultimate conversion and shrinkage stress levels achieved were dependent not only upon dose but also the irradiation intensity, in contrast to an idealized reciprocity relationship. A kinetic model was utilized to analyze this behavior and provide theoretical conversion profiles versus irradiation time and dose. Analysis of the experimental and modeling results demonstrated that the polymerization kinetics do not and should not be expected to follow the reciprocity law behavior. As irradiation intensity is increased, the overall dose required to achieve full conversion also increased. Further, the ultimate conversion and shrinkage stress that are achieved are not dependent only upon dose but rather upon the irradiation intensity and corresponding polymerization rate. Copyright © 2014 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  13. Experimental and theoretical characterization of acoustic noise from a 7.6 m diameter yaw controlled teetered rotor wind turbine

    Energy Technology Data Exchange (ETDEWEB)

    Moroz, E. [Univ. of Texas at El Paso, Dept. of Mechanical and Industrial Engineering, El Paso, TX (United States)

    1997-12-31

    An experimental investigation into the acoustic noise from a small (7.6 m diameter) teetered rotor wind turbine, set at various yaw angles up to 90 degrees of yaw, was conducted. The results revealed a 1/3 octave spectra which was dominated by a broad peak in the higher frequency range, at all yaw angles investigated. This prompted a theoretical investigation to reveal the mechanisms producing the dominant feature in the experimentally obtained noise spectra and resulted in the development of a wind turbine aerodynamic noise prediction coce, WTNOISE. The location near busy roads and the relatively rough terrain of the wind test site caused difficulties in obtaining useful noise spectral information below 500Hz. However, sufficiently good data was obtained above 500Hz to clearly show a dominant `hump` in the spectrum, centered between 3000 and 4000Hz. Although the local Reynolds number for the blade elements was around 500,000 and one might expect Laminar flow over a significant portion of the blade, the data did not match the noise spectra predicted when Laminar flow was assumed. Given the relatively poor surface quality of the rotor blades and the high turbulence of the test site it was therefore assumed that the boundary layer on the blade may have tripped relatively early and that the turbulent flow setting should be used. This assumption led to a much better correlation between experiment and predictions. The WTNOISE code indicated that the broad peak in the spectrum was most likely caused by trailing edge bluntness noise. Unfortunately time did not allow for modifications to the trailing edge to be investigated. (au)

  14. Characterization of the temperature evolution during high-cycle fatigue of the ULTIMET superalloy: Experiment and theoretical modeling

    Science.gov (United States)

    Jiang, L.; Wang, H.; Liaw, P. K.; Brooks, C. R.; Klarstrom, D. L.

    2001-09-01

    High-speed, high-resolution infrared thermography, as a noncontact, full-field, and nondestructive technique, was used to study the temperature variations of a cobalt-based ULTIMET alloy subjected to high-cycle fatigue. During each fatigue cycle, the temperature oscillations, which were due to the thermal-elastic-plastic effects, were observed and related to stress-strain analyses. A constitutive model was developed for predicting the thermal and mechanical responses of the ULTIMET alloy subjected to cyclic deformation. The model was constructed in light of internal-state variables, which were developed to characterize the inelastic strain of the material during cyclic loading. The predicted stress-strain and temperature responses were found to be in good agreement with the experimental results. In addition, the change of temperature during fatigue was employed to reveal the accumulation of fatigue damage, and the measured temperature was utilized as an index for fatigue-life prediction.

  15. Epidemic Wave Dynamics Attributable to Urban Community Structure: A Theoretical Characterization of Disease Transmission in a Large Network

    Science.gov (United States)

    Eggo, Rosalind M; Lenczner, Michael

    2015-01-01

    Background Multiple waves of transmission during infectious disease epidemics represent a major public health challenge, but the ecological and behavioral drivers of epidemic resurgence are poorly understood. In theory, community structure—aggregation into highly intraconnected and loosely interconnected social groups—within human populations may lead to punctuated outbreaks as diseases progress from one community to the next. However, this explanation has been largely overlooked in favor of temporal shifts in environmental conditions and human behavior and because of the difficulties associated with estimating large-scale contact patterns. Objective The aim was to characterize naturally arising patterns of human contact that are capable of producing simulated epidemics with multiple wave structures. Methods We used an extensive dataset of proximal physical contacts between users of a public Wi-Fi Internet system to evaluate the epidemiological implications of an empirical urban contact network. We characterized the modularity (community structure) of the network and then estimated epidemic dynamics under a percolation-based model of infectious disease spread on the network. We classified simulated epidemics as multiwave using a novel metric and we identified network structures that were critical to the network’s ability to produce multiwave epidemics. Results We identified robust community structure in a large, empirical urban contact network from which multiwave epidemics may emerge naturally. This pattern was fueled by a special kind of insularity in which locally popular individuals were not the ones forging contacts with more distant social groups. Conclusions Our results suggest that ordinary contact patterns can produce multiwave epidemics at the scale of a single urban area without the temporal shifts that are usually assumed to be responsible. Understanding the role of community structure in epidemic dynamics allows officials to anticipate epidemic

  16. Synthesis, characterization, crystal structure and theoretical study of a compound with benzodiazole ring: antimicrobial activity and DNA binding.

    Science.gov (United States)

    Latha, P; Kodisundaram, P; Sundararajan, M L; Jeyakumar, T

    2014-08-14

    2-(Thiophen-2-yl)-1-((thiophen-2-yl)methyl)-1H-1,3-benzodiazole (HL) is synthesized and characterized by elemental analysis, UV-Vis, FT-IR, (1)H, (13)C NMR, mass spectra, scanning electron microscope (SEM) and single crystal X-ray diffraction. The crystal structure is stabilized by intermolecular CH⋯N and CH⋯π interactions. The molecular structure is also optimized at the B3LYP/6-31G level using density functional theory (DFT). The structural parameters from the theory are nearer to those of crystal, the calculated total energy of coordination is -1522.814a.u. The energy of HOMO-LUMO and the energy gap are -0.20718, -0.04314, 0.16404a.u, respectively. All data obtained from the spectral studies support the structural properties of the compound HL. The benzimidazole ring is essentially planar. The in vitro biological screening effects of the synthesized compound is tested against four bacterial and four fungal strains by well diffusion method. Antioxidant property and DNA binding behaviour of the compound has been investigated using spectrophotometric method. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Nonlinear Ion Harmonics in the Paul Trap with Added Octopole Field: Theoretical Characterization and New Insight into Nonlinear Resonance Effect.

    Science.gov (United States)

    Xiong, Caiqiao; Zhou, Xiaoyu; Zhang, Ning; Zhan, Lingpeng; Chen, Yongtai; Nie, Zongxiu

    2016-02-01

    The nonlinear harmonics within the ion motion are the fingerprint of the nonlinear fields. They are exclusively introduced by these nonlinear fields and are responsible to some specific nonlinear effects such as nonlinear resonance effect. In this article, the ion motion in the quadrupole field with a weak superimposed octopole component, described by the nonlinear Mathieu equation (NME), was studied by using the analytical harmonic balance (HB) method. Good accuracy of the HB method, which was comparable with that of the numerical fourth-order Runge-Kutta (4th RK), was achieved in the entire first stability region, except for the points at the stability boundary (i.e., β = 1) and at the nonlinear resonance condition (i.e., β = 0.5). Using the HB method, the nonlinear 3β harmonic series introduced by the octopole component and the resultant nonlinear resonance effect were characterized. At nonlinear resonance, obvious resonant peaks were observed in the nonlinear 3β series of ion motion, but were not found in the natural harmonics. In addition, both resonant excitation and absorption peaks could be observed, simultaneously. These are two unique features of the nonlinear resonance, distinguishing it from the normal resonance. Finally, an approximation equation was given to describe the corresponding working parameter, q nr , at nonlinear resonance. This equation can help avoid the sensitivity degradation due to the operation of ion traps at the nonlinear resonance condition.

  18. Theoretical Characterization of the H-Bonding and Stacking Potential of Two Non-Standard Nucleobases Expanding the Genetic Alphabet

    KAUST Repository

    Chawla, Mohit

    2016-02-16

    We report a quantum chemical characterization of the non-natural (synthetic) H-bonded base pair formed by 6-amino-5-nitro-2(1H)-pyridone (Z) and 2-amino-imidazo [1,2-a]-1,3,5-triazin-4(8H)-one (P). The Z:P base pair, orthogonal to the classical G:C base pair, has been introduced in DNA molecules for expanding the genetic code. Our results indicate that the Z:P base pair closely mimics the G:C base pair both in terms of structure and stability. To clarify the role of the NO2 group on the C5 position of the Z base, we compared the stability of the Z:P base pair with that of base pairs having different functional group on the C5 position of Z. Our results indicate that the electron donating/withdrawing properties of the group in the C5 position has a clear impact on the stability of the Z:P base pair, with the strong electron withdrawing nitro group achieving the largest stabilizing effect on the H-bonding interaction, and the strong electron donating NH2 group destabilizing the Z:P pair by almost 4 kcal/mol. Finally, our gas phase and in water calculations confirm that the Z-nitro group reinforce the stacking interaction with its adjacent purine or pyrimidine ring.

  19. Theoretical characterization and design of small molecule donor material containing naphthodithiophene central unit for efficient organic solar cells.

    Science.gov (United States)

    Duan, Yu-Ai; Geng, Yun; Li, Hai-Bin; Jin, Jun-Ling; Wu, Yong; Su, Zhong-Min

    2013-07-15

    To seek for high-performance small molecule donor materials used in heterojunction solar cell, six acceptor-donor-acceptor small molecules based on naphtho[2,3-b:6,7-b']dithiophene (NDT) units with different acceptor units were designed and characterized using density functional theory and time-dependent density functional theory. Their geometries, electronic structures, photophysical, and charge transport properties have been scrutinized comparing with the reported donor material NDT(TDPP)2 (TDPP  =  thiophene-capped diketopyrrolopyrrole). The open circuit voltage (V(oc)), energetic driving force(ΔE(L-L)), and exciton binding energy (E(b)) were also provided to give an elementary understanding on their cell performance. The results reveal that the frontier molecular orbitals of 3-7 match well with the acceptor material PC61 BM, and compounds 3-5 were found to exhibit the comparable performances to 1 and show promising potential in organic solar cells. In particular, comparing with 1, system 7 with naphthobisthiadiazole acceptor unit displays broader absorption spectrum, higher V(oc), lower E(b), and similar carrier mobility. An in-depth insight into the nature of the involved excited states based on transition density matrix and charge density difference indicates that all S1 states are mainly intramolecular charge transfer states with the charge transfer from central NDT unit to bilateral acceptor units, and also imply that the exciton of 7 can be dissociated easily due to its large extent of the charge transfer. In a word, 7 maybe superior to 1 and may act as a promising donor candidate for organic solar cell. Copyright © 2013 Wiley Periodicals, Inc.

  20. Synthesis, structural characterization and theoretical studies of a new Schiff base 4-(((3-(tert-Butyl)-(1-phenyl)pyrazol-5-yl) imino)methyl)phenol

    Science.gov (United States)

    Cuenú, Fernando; Londoño-Salazar, Jennifer; Torres, John Eduard; Abonia, Rodrigo; D'Vries, Richard F.

    2018-01-01

    4-(((3-(tert-Butyl)-(1-phenyl)pyrazol-5-yl)imino)methyl)phenol (4-OHFPz) was synthesized and characterized by FT-IR, MS, NMR, and single-crystal X-ray diffraction. Optimization of molecular geometry, vibrational frequencies, and chemical shifts were calculated by using the methods of density functional theory (DFT) with B3LYP and B3PW91 as functionals and Hartree-Fock with 6-311G++(d,p) as basis set using the GAUSSIAN 09 program package. With the VEDA 4 software, the vibrational frequencies were assigned in terms of the potential energy distribution (PED). The equilibrium geometries calculated by all methods were compared with X-ray diffraction results, indicating that the theoretical results matches well with the experimental ones. The data obtained from the vibrational analysis and the calculated NMR are consistent with the experimental spectra.

  1. Spectroscopic studies, theoretical models and structural characterization. II. Synthesis and X-ray powder diffraction of the elpasolites Cs2NaSmCl6

    International Nuclear Information System (INIS)

    Poblete, V.; Acevedo, R.

    1998-01-01

    In this research work, we report the synthesis and structural characterization of the stoichiometric elpasolite Cs 2 NaSmCl 6 . The synthesis was performed under a solid state reaction in nitrogen atmosphere from the chemicals CsCl, NaCl and SmCl 3 weighted stoichiometrically. The best possible crystallization temperature was obtained using thermal studies of the type DTA/TGA (the thermal treatment was allowed to proceed for 2.5 hours at 755 Centigrade, showing a temperature gradient of 10 Centigrade/minute). The structural characterization by powder X-ray diffraction (XDR) indicates that this elpasolite belongs to the Fm 3m (O h 5 ) space group and the optimized structural parameters are as follows: a 0 = 10.8342 Armstrong, V 1271.72 Armstrong 3 , Z=4, M=651.88, D x =3.406 y D exp=3.41 ± 0.01. The profile refinement, using the Rietveld method, allowed us to fit the experimental and the calculated intensities of a total of 32 lines. The above result indicates that the condition R exp 2+ + 3Cl -1 and the counter ions filling the octahedral holes, in full agreement with anti fluorite type crystal. According to the above description, these elpasolite adopt the form (M 1/3 □ 2/3 ) 4 X 2 , where M labels the central metal, X stand for the chlorine ions and □ represent the vacancies, which may accommodate a significant amount of defects without collapsing. This experimental study provides the necessary input to test theoretical models against experimental data. (Author)

  2. Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid

    Science.gov (United States)

    Saçmacı, Mustafa; Çavuş, Hatice Kanbur; Arı, Hatice; Şahingöz, Recep; Özpozan, Talat

    2012-11-01

    Novel acid mono azo dye, 2-[(E)-(8-hydroxyquinolin-5yl)-diazenyl]-4,5-dimethoxybenzoic acid (HQD), was synthesized by coupling diazonium salt solution of 2-amino-4,5-dimethoxybenzoic acid (DMA) with 8-hydroxyquinoline (HQ). This dye was characterized by UV-vis, IR & Raman, 1H and 13C NMR spectroscopic techniques and elemental analysis. The normal coordinate analysis of HQD was also performed to assign each band in vibrational spectra. DFT (B3LYP and B3PW91) calculations were employed to optimize the geometry, to interpret NMR spectra, to calculate and to determine the stable tautomeric structure of the compound. Natural Bond Orbital (NBO) analysis was performed to investigate intramolecular interactions. The vibrational spectral data obtained from solid phase IR & Raman spectra were assigned based on the results of the theoretical calculations. UV-vis spectroscopic technique was employed to obtain the optical band gap of HQD. The analysis of the optical absorption data revealed the existence of direct and indirect transitions in the optical band gaps. The optical band gaps of HQD have been found 1.95 and 1.90 eV for direct and indirect transitions, respectively.

  3. 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.

  4. 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

  5. Theoretical physics

    International Nuclear Information System (INIS)

    Laval, G.

    1988-01-01

    The 1988 progress report of the theoretical Physics Center (Ecole Polytechnique, France), is presented. The research activities are carried out in the fields of the supersymmetry theory, the dynamic systems theory, the statistical mechanics, the plasma physics and the random media. Substantial improvements are obtained on dynamical system investigations. In the field theory, the definition of the Gross-Neveu model is achieved. However the construction of the non-abelian gauge theories and the conformal theories are the main research activities. Concerning Astrophysics, a three-dimensional gravitational code is obtained. The activities of each team, and the list of the published papers, congress communications and thesis are given [fr

  6. Theoretical physics

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

    The nuclear theory program deals with the properties of nuclei and with the reactions and interactions between nuclei and a variety of projectiles. The main areas of concentration are: heavy-ion direct reactions at nonrelativistic energies; nuclear shell theory and nuclear structure; nuclear matter and nuclear forces;intermediate-energy physics and pion-nucleus interactions; and high-energy collisions of heavy ions. Recent progress and plans for future work in these five main areas of concentration and a summary of other theoretical studies currently in progress or recently completed are presented

  7. Theoretical Mathematics

    Science.gov (United States)

    Stöltzner, Michael

    Answering to the double-faced influence of string theory on mathematical practice and rigour, the mathematical physicists Arthur Jaffe and Frank Quinn have contemplated the idea that there exists a `theoretical' mathematics (alongside `theoretical' physics) whose basic structures and results still require independent corroboration by mathematical proof. In this paper, I shall take the Jaffe-Quinn debate mainly as a problem of mathematical ontology and analyse it against the backdrop of two philosophical views that are appreciative towards informal mathematical development and conjectural results: Lakatos's methodology of proofs and refutations and John von Neumann's opportunistic reading of Hilbert's axiomatic method. The comparison of both approaches shows that mitigating Lakatos's falsificationism makes his insights about mathematical quasi-ontology more relevant to 20th century mathematics in which new structures are introduced by axiomatisation and not necessarily motivated by informal ancestors. The final section discusses the consequences of string theorists' claim to finality for the theory's mathematical make-up. I argue that ontological reductionism as advocated by particle physicists and the quest for mathematically deeper axioms do not necessarily lead to identical results.

  8. Synthesis, characterization, thermal properties and theoretical investigation on Bis(guanidinium) 4,4‧- Azo-1H-1,2,4-triazol-5-one

    Science.gov (United States)

    Cao, Wen-li; Guo, Jia-jia; Chen, Xiang; Ding, Zi-mei; Xu, Kang-zhen; Song, Ji-rong; Fan, An; Huang, Jie

    2017-11-01

    Bis(guanidinium) 4,4‧-Azo-1H-1,2,4-triazol-5-one [G2(ZTO)] was synthesized and characterized by X-ray single crystal diffraction, elemental analyzer and Fourier Transform Infrared (FT-IR) spectrometer. The result from X-ray single crystal diffraction indicates that G2(ZTO) crystallizes in the monoclinic space group P2(1)/c with parameters of a = 4.779(2) Å, b = 9.081(4) Å, c = 14.676(6) Å, α = 90.00°, β = 92.43(7)°, γ = 90.00°, V = 636.4(5) Å3, Z = 2, μ(Mo Kα) = 0.131, F(000) = 328, S = 1.071, Dc = 1.640 g·cm-3, R1 = 0.0510 and wR2 = 0.1389. Interestingly enough, its structure does not contain crystallization water, which is a unique characteristic in this material. Besides, the molecular geometry of the compound was optimized by using Density Functional Theory (DFT) method at B3LYP/6-31G (d, p) level in the ground state, revealing that the obtained geometric parameters are in accordance with the X-ray result of the structure. The experimental vibrational spectrum was compared with the calculated spectrum. Besides, molecular electrostatic potential (MEP) of G2(ZTO) was computed with the same method in gas phase, theoretically. The thermal properties of this compound were investigated by DSC, TG/DTG and micro-DSC methods. The results manifest that its thermal behavior can be divided into two main decomposition stages, the first intense decomposition peak temperature is 248.11 °C at the heating rate of 10 °C·min-1, which is higher than that of RDX (219 °C) but slightly lower than that of G(ZTO)·H2O (252.08 °C). The constant-volume combustion heat (ΔcU) of G2(ZTO), G(ZTO)·H2O and ZTO were determined and then the enthalpy of formation were calculated. The results show that G2(ZTO) possesses the highest standard molar enthalpy of formation, which may be explained by the fact that G2(ZTO) contains no water and possesses the highest nitrogen content in all guanidine salts. Moreover, the apparent activation energy (E), thermal stability and safety

  9. Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy)(2)](2+)

    DEFF Research Database (Denmark)

    Vanko, Gyoergy; Bordage, Amelie; Pápai, Mátyás Imre

    2015-01-01

    Theoretical predictions show that depending on the populations of the Fe 3d(xy), 3d(xz), and 3d(yz) orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy)(2)](2+). The differences in the structure and molecular properties of these B-5...

  10. Theoretical Physics 1. Theoretical Mechanics

    International Nuclear Information System (INIS)

    Dreizler, Reiner M.; Luedde, Cora S.

    2010-01-01

    After an introduction to basic concepts of mechanics more advanced topics build the major part of this book. Interspersed is a discussion of selected problems of motion. This is followed by a concise treatment of the Lagrangian and the Hamiltonian formulation of mechanics, as well as a brief excursion on chaotic motion. The last chapter deals with applications of the Lagrangian formulation to specific systems (coupled oscillators, rotating coordinate systems, rigid bodies). The level of this textbook is advanced undergraduate. The authors combine teaching experience of more than 40 years in all fields of Theoretical Physics and related mathematical disciplines and thorough knowledge in creating advanced eLearning content. The text is accompanied by an extensive collection of online material, in which the possibilities of the electronic medium are fully exploited, e.g. in the form of applets, 2D- and 3D-animations. (orig.)

  11. Theoretical Physics 1. Theoretical Mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Dreizler, Reiner M.; Luedde, Cora S. [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik

    2010-07-01

    After an introduction to basic concepts of mechanics more advanced topics build the major part of this book. Interspersed is a discussion of selected problems of motion. This is followed by a concise treatment of the Lagrangian and the Hamiltonian formulation of mechanics, as well as a brief excursion on chaotic motion. The last chapter deals with applications of the Lagrangian formulation to specific systems (coupled oscillators, rotating coordinate systems, rigid bodies). The level of this textbook is advanced undergraduate. The authors combine teaching experience of more than 40 years in all fields of Theoretical Physics and related mathematical disciplines and thorough knowledge in creating advanced eLearning content. The text is accompanied by an extensive collection of online material, in which the possibilities of the electronic medium are fully exploited, e.g. in the form of applets, 2D- and 3D-animations. (orig.)

  12. Experimental and theoretical characterization of adsorbed water on self-assembled monolayers: Understanding the interaction of water with atmospherically relevant surfaces

    Czech Academy of Sciences Publication Activity Database

    Moussa, S. G.; McIntire, T. M.; Szöri, Milan; Roeselová, Martina; Tobias, D. J.; Grimm, R. L.; Hemminger, J. C.; Finlayson-Pitts, B. J.

    2009-01-01

    Roč. 113, č. 10 (2009), s. 2060-2069 ISSN 1089-5639 R&D Projects: GA ČR GA203/06/1488; GA MŠk LC512; GA MŠk 1P05ME798 Grant - others:NSF(US) 0431312 Institutional research plan: CEZ:AV0Z40550506 Keywords : molecular dynamics * hydrophobic * hydrophilic Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.899, year: 2009

  13. Theoretical Mechanics Theoretical Physics 1

    CERN Document Server

    Dreizler, Reiner M

    2011-01-01

    After an introduction to basic concepts of mechanics more advanced topics build the major part of this book. Interspersed is a discussion of selected problems of motion. This is followed by a concise treatment of the Lagrangian and the Hamiltonian formulation of mechanics, as well as a brief excursion on chaotic motion. The last chapter deals with applications of the Lagrangian formulation to specific systems (coupled oscillators, rotating coordinate systems, rigid bodies). The level of this textbook is advanced undergraduate. The authors combine teaching experience of more than 40 years in all fields of Theoretical Physics and related mathematical disciplines and thorough knowledge in creating advanced eLearning content. The text is accompanied by an extensive collection of online material, in which the possibilities of the electronic medium are fully exploited, e.g. in the form of applets, 2D- and 3D-animations. - A collection of 74 problems with detailed step-by-step guidance towards the solutions. - A col...

  14. Synthesis, spectroscopic and structural characterization of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine with theoretical calculations using density functional theory

    Science.gov (United States)

    İnkaya, Ersin; Dinçer, Muharrem; Şahan, Emine; Yıldırım, İsmail

    2013-10-01

    In this paper, we will report a combined experimental and theoretical investigation of the molecular structure and spectroscopic parameters (FT-IR, 1H NMR, 13C NMR) of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine. The compound crystallizes in the triclinic space group P-1 with Z = 2. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G(d,p) and 6-311++G(d,p) basis sets in ground state and compared with the experimental data. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential (ESP). Also, non-linear optical properties of the title compound were performed at B3LYP/6-311++G(d,p) level. The theoretical results showed an excellent agreement with the experimental values.

  15. Characterizing the paramagnetic behavior of Cu{sup 2+} doped nickel(II) dipicolinato by using theoretical and experimental EPR and UV–vis studies

    Energy Technology Data Exchange (ETDEWEB)

    Yıldırım, İlkay [Department of Radiotherapy, Vocational School of Health Services, Biruni University, Topkapı, 34010 Istanbul (Turkey); Çelik, Yunus [Department of Physics, Faculty of Arts and Science, Ondokuz Mayıs University, Atakum, 55139 Samsun (Turkey); Karabulut, Bünyamin, E-mail: bbulut@omu.edu.tr [Department of Computer Engineering, Faculty of Engineering, Ondokuz Mayıs University, Atakum, 55139 Samsun (Turkey)

    2016-02-15

    In this study, the paramagnetism in bis(hydrogeno pyridine-2,6-dicarboxylato) nickel(II) trihydrate, [Ni(Hdpc){sub 2}]·3H{sub 2}O, has been investigated after doping the sample with Cu{sup 2+} ions. The g and hyperfine parameters were obtained by electron paramagnetic resonance (EPR) experiments performed at ambient temperature. The study shows that Cu{sup 2+} ion defects the structure and exists interstitially in the lattice having a distorted local environment. It also shows the existence of two magnetically inequivalent Cu{sup 2+} sites. Experimental values for both EPR and optical spectrum studies were verified by using the appropriate theoretical approaches.

  16. Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy) 2 ] 2+

    International Nuclear Information System (INIS)

    Vanko, Gyorgy; Bordage, Amelie; Papai, Matyas; Haldrup, Kristoffer; March, Anne Marie; Galler, Andreas; Assefa, Tadesse; Cabaret, Delphine; Juhin, Amelie; Driel, Tim B. van; Gallo, Erik; Rovezzi, Mauro; Nemeth, Zoltan; Rozsalyi, Emese; Rozgonyi, Tamas; Uhlig, Jens; Gawelda, Wojciech

    2015-01-01

    Theoretical predictions show that depending on the populations of the Fe 3d xy , 3d xz , and 3d yz orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy) 2 ] 2+ . The differences in the structure and molecular properties of these 5B2 and 5E quintets are very small and pose a substantial challenge for experiments to resolve them. Yet for a better understanding of the physics of this system, which can lead to the design of novel molecules with enhanced photoswitching performance, it is vital to determine which high-spin state is reached in the transitions that follow the light excitation. The quintet state can be prepared with a short laser pulse and can be studied with cutting-edge time-resolved X-ray techniques. Here we report on the application of an extended set of X-ray spectroscopy and scattering techniques applied to investigate the quintet state of [Fe(terpy) 2 ] 2+ 80 ps after light excitation. High-quality X-ray absorption, nonresonant emission, and resonant emission spectra as well as X-ray diffuse scattering data clearly reflect the formation of the high-spin state of the [Fe(terpy) 2 ] 2+ molecule; moreover, extended X-ray absorption fine structure spectroscopy resolves the Fe-ligand bond-length variations with unprecedented bond-length accuracy in time-resolved experiments. With ab initio calculations we determine why, in contrast to most related systems, one configurational mode is insufficient for the description of the low-spin (LS)-high-spin (HS) transition. We identify the electronic structure origin of the differences between the two possible quintet modes, and finally, we unambiguously identify the formed quintet state as 5E, in agreement with our theoretical expectations

  17. Synthesis, structural characterization, luminescent properties and theoretical study of three novel lanthanide metal-organic frameworks of Ho(III), Gd(III) and Eu(III) with 2,5-thiophenedicarboxylate anion

    Energy Technology Data Exchange (ETDEWEB)

    Marques, Lippy F. [Instituto de Química, Universidade do Estado do Rio de Janeiro, Rio de Janeiro 20550-013 (Brazil); Correa, Charlane C. [Departamento de Química-ICE, Universidade Federal de Juiz de Fora, Juiz de Fora-MG, 36036-330 (Brazil); Ribeiro, Sidney J.L.; Santos, Molíria V. dos [Institute of Chemistry, São Paulo State University − UNESP, CP 355 Araraquara-SP 14801-970 Brazil (Brazil); Dutra, José Diogo L.; Freire, Ricardo O. [Pople Computational Chemistry Laboratory, Departamento de Química, Universidade Federal de Sergipe, São Cristóvão-SE 49100-000 (Brazil); Machado, Flávia C., E-mail: flavia.machado@ufjf.edu.br [Departamento de Química-ICE, Universidade Federal de Juiz de Fora, Juiz de Fora-MG, 36036-330 (Brazil)

    2015-07-15

    In this paper, the synthesis of three new metal-organic frameworks of lanthanides (LnMOFs) ([Ln{sub 2}(2,5-tdc){sub 3}(dmso){sub 2}]·H{sub 2}O){sub n} (Ln=Ho (1); Gd (2); Eu (3); 2,5-tdc=2,5-thiophenedicarboxylate anion; dmso=dimethylsulfoxide), and their complete characterization, including single crystal X-ray diffraction, FTIR spectroscopy and thermogravimetric analysis are reported. In especial, photophysical properties of Eu(III) complex have been studied in detail via both theoretical and experimental approaches. Crystal structure of (1) reveals that each lanthanide ion is seven-coordinated by oxygen atoms in an overall distorted capped trigonal – prismatic geometry. The 2,5-tdc{sup 2−} ligands connect four Ln(III) centers, adopting (κ{sup 1}–κ{sup 1})–(κ{sup 1}–κ{sup 1})–μ{sub 4} coordination mode, generating an 8-connected uninodal 3D network. In addition, theoretical studies for Eu(III) complex were performed using the Sparkle model for lanthanide complexes. - Graphical abstract: Three new metal-organic frameworks of lanthanides (LnMOFs) ([Ln{sub 2}(2,5-tdc){sub 3}(dmso){sub 2}]·H{sub 2}O){sub n} (Ln=Ho (1); Gd (2); Eu (3); 2,5-tdc=2,5-thiophenedicarboxylate anion; dmso=dimethylsulfoxide), were synthesized and their complete characterization, including single crystal X-ray diffraction, FTIR spectroscopy and thermogravimetric analysis are reported. In especial, photophysical properties of Eu(III) complex have been studied in detail via both theoretical and experimental approaches. - Highlights: • Three new LnMOFs were synthesized and fully characterized. • Ho{sup 3+}, Gd{sup 3+} and Eu{sup 3+} complexes photoluminescence properties were investigated. • Theoretical approaches for Eu{sup 3+} complex luminescence has been performed. • An energy level diagram is used to establish the ligand-to-metal energy transfer. • These metal−organic frameworks can act as light conversion molecular devices.

  18. Synthesis, Structural Characterization, and Thermal Properties of the Poly(methylmethacrylate/δ-FeOOH Hybrid Material: An Experimental and Theoretical Study

    Directory of Open Access Journals (Sweden)

    Silviana Corrêa

    2016-01-01

    Full Text Available The δ-FeOOH/PMMA nanocomposites with 0.5 and 2.5 wt.% of δ-FeOOH were prepared by grafting 3-(trimethoxysilylpropyl methacrylate on the surface of the iron oxyhydroxide particles. The FTIR spectra of the δ-FeOOH/PMMA nanocomposites showed that the silane monomers were covalently attached to the δ-FeOOH particles. Because of the strong interaction between the PMMA and δ-FeOOH nanoparticles, the thermal stability of the δ-FeOOH/PMMA nanocomposites was improved compared to the pure PMMA. The SEM analysis conferred the size agglomerate of particles regarding the morphology of samples. The theoretical study enabled a better understanding of the interaction of the polymer with the iron oxyhydroxide. The DFT-based calculations reinforce the radical trapping mechanism of stabilization of nanocomposites; that is, Fe3+ species might be able to accept electrons coming from the organic phase that decomposes via radical unzipping. The radical scavenge effect delays the weight loss of polymer.

  19. Experimental and theoretical characterization of organic salt: 2-((4-bromophenyl)amino) pyrido[1,2-a] quinoxalin-11-ium bromide monohydrate synthesized via oxidative cyclization

    Science.gov (United States)

    Faizi, Md. Serajul Haque; Alam, Mohammad Jane; Haque, Ashanul; Ahmad, Shabbir; Shahid, M.; Ahmad, Musheer

    2018-03-01

    Quinoxalines are nitrogen-embedded heterocyclic compounds that possess unique and versatile pharmacological applications. The present article describes synthesis and characterization of organic salt 2-((4-bromophenyl)amino)pyrido [1,2-a]quinoxalin-11-ium bromide (BAPQ), an oxidative cyclized product of N-phenyl-N-(pyridine-2-ylmethylene)benzene-1,4-diamine (PPMD). The structure of the synthesized product was extensively characterized by 1H NMR, 2D-COSY NMR, MS, IR, UV-vis, X-ray techniques and elemental analysis. The electronic and structural properties of BAPQ was well complemented by performing extensive computational studies (B3LYP/6-311G (d,p) basis sets). Metal-free, mild reaction condition, easy work-up and excellent yield with high purity are main features of this work and thus holds promise for the generation of new compounds of this class. Analytical results indicated ionic nature of the compound with bromide as counterion. DFT calculation showed low kinetic stability and high reactivity of the compound.

  20. Characterization of Coke on a Pt-Re/γ-Al _2 O _3 Re-Forming Catalyst: Experimental and Theoretical Study

    International Nuclear Information System (INIS)

    Bare, Simon R.; Vila, F. D.; Prabhakar, Sesh; Bradley, William J.

    2017-01-01

    The characterization of coke on spent catalysts is key to understanding deactivation mechanisms in hydrocarbon transformations. Here, we report the comprehensive characterization (using laser Raman spectroscopy, "1"3C MAS NMR, temperature-programmed oxidation, XPS, and carbon K-edge NEXAFS) of coke on a series of spent Pt-Re re-forming catalysts as a function of time on stream and position in the catalytic bed. Laser Raman spectroscopy is shown to be rather insensitive to the carbon species present, while "1"3C MAS NMR finds that the carbon is present primarily as aromatic carbon. The TPO data are consistent with the coke being present on the alumina support and not to a large extent covering the metallic Pt-Re nanoclusters, but the data do suggest the presence of more than one type of coke present. The carbon K-edge NEXAFS data, however, clearly differentiate the types of coke species present. In the more coked samples the features ascribed to graphite become more pronounced, together with an increase in the aromaticity, as judged by the intensity of the π* peak. With increasing amounts of carbon on the catalyst there is also a concomitant decrease in the σ* C–H peak, indicating that the carbon is becoming less hydrogenated. Furthermore, by using a linear combination of C NEXAFS spectra for n-hexane, benzene, and broadened highly oriented pyrolytic graphite (HOPG), we estimate the compositional change on the coke species, verifying the aliphatic to aromatic conversion. The data indicate that a good model for the deposited coke is that of highly defected, medium-sized rafts with a short-range polycyclic aromatic structure which have a variety of points of contact with the alumina surface, in particular with the O atoms. In agreement with the NMR, there is evidence for the C–O functionality from the presence of a shoulder in the C NEXAFS spectra that is ascribed, as a result of DFT calculations, to a 1s → π* transition of the carbon atoms bound to the

  1. Synthesis, characterization, spectroscopic and theoretical studies of new zinc(II), copper(II) and nickel(II) complexes based on imine ligand containing 2-aminothiophenol moiety

    Science.gov (United States)

    Shafaatian, Bita; Mousavi, S. Sedighe; Afshari, Sadegh

    2016-11-01

    New dimer complexes of zinc(II), copper(II) and nickel(II) were synthesized using the Schiff base ligand which was formed by the condensation of 2-aminothiophenol and 2-hydroxy-5-methyl benzaldehyde. This tridentate Schiff base ligand was coordinated to the metal ions through the NSO donor atoms. In order to prevent the oxidation of the thiole group during the formation of Schiff base and its complexes, all of the reactions were carried out under an inert atmosphere of argon. The X-ray structure of the Schiff base ligand showed that in the crystalline form the SH groups were oxidized to produce a disulfide Schiff base as a new double Schiff base ligand. The molar conductivity values of the complexes in dichloromethane implied the presence of non-electrolyte species. The fluorescence properties of the Schiff base ligand and its complexes were also studied in dichloromethane. The products were characterized by FT-IR, 1H NMR, UV/Vis spectroscopies, elemental analysis, and conductometry. The crystal structure of the double Schiff base was determined by single crystal X-ray diffraction. Furthermore, the density functional theory (DFT) calculations were performed at the B3LYP/6-31G(d,p) level of theory for the determination of the optimized structures of Schiff base complexes.

  2. Synthesis, characterization and theoretical investigations of the structure, electronic properties and third-order nonlinearity optics (NLO) of M(DPIP)₂.

    Science.gov (United States)

    Li, Kang; Tang, Guodong; Kou, ShanShan; Culnane, Lance F; Zhang, Yu; Song, Yinglin; Li, Rongqing; Wei, Changmei

    2015-03-15

    Three complexes of M(DPIP)2 (M=Cu, Co, Zn as 1, 2, 3) were synthesized and characterized by elemental analysis, IR, UV-Vis, thermogravimetry, and X-ray diffraction. Their nonlinear optical properties were measured by the Z-scan technique and yielded a normalized transmittance of about 70% for complex 1 (45 μJ pulse), and 93% for complex 3 (68 μJ pulse at the focus point). The nonlinear absorption coefficient, β, is 1.4×10(-11) m/W for 1 and 5.6×10(-13) m/W for 3, and the third-order nonlinear refraction index, n2, is 1.0×10(-18) m(2)/W for 3. Complex 1 shows self-defocusing property, while complex 3 exhibits self-focusing property. The thermogravimetric results show that the frame structure of compounds 1-3 begin to collapse at 400, 250 and 280°C, respectively, which suggests that they elicit excellent thermal stability. This research aims to provide better understanding of these compounds, and offer preliminary explanations for the significant differences between compounds 1-3, in order to potentially help in the designing of future novel materials with NLO properties. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Synthesis, characterization and theoretical investigations of the structure, electronic properties and third-order nonlinearity optics (NLO) of M(DPIP)2

    Science.gov (United States)

    Li, Kang; Tang, Guodong; Kou, ShanShan; Culnane, Lance F.; Zhang, Yu; Song, Yinglin; Li, Rongqing; Wei, Changmei

    2015-03-01

    Three complexes of M(DPIP)2 (M = Cu, Co, Zn as 1, 2, 3) were synthesized and characterized by elemental analysis, IR, UV-Vis, thermogravimetry, and X-ray diffraction. Their nonlinear optical properties were measured by the Z-scan technique and yielded a normalized transmittance of about 70% for complex 1 (45 μJ pulse), and 93% for complex 3 (68 μJ pulse at the focus point). The nonlinear absorption coefficient, β, is 1.4 × 10-11 m/W for 1 and 5.6 × 10-13 m/W for 3, and the third-order nonlinear refraction index, n2, is 1.0 × 10-18 m2/W for 3. Complex 1 shows self-defocusing property, while complex 3 exhibits self-focusing property. The thermogravimetric results show that the frame structure of compounds 1-3 begin to collapse at 400, 250 and 280 °C, respectively, which suggests that they elicit excellent thermal stability. This research aims to provide better understanding of these compounds, and offer preliminary explanations for the significant differences between compounds 1-3, in order to potentially help in the designing of future novel materials with NLO properties.

  4. Pt(II) and Pd(II) complexes with ibuprofen hydrazide: Characterization, theoretical calculations, antibacterial and antitumor assays and studies of interaction with CT-DNA

    Science.gov (United States)

    Manzano, Carlos M.; Bergamini, Fernando R. G.; Lustri, Wilton R.; Ruiz, Ana Lúcia T. G.; de Oliveira, Ellen C. S.; Ribeiro, Marcos A.; Formiga, André L. B.; Corbi, Pedro P.

    2018-02-01

    Palladium(II) and platinum(II) complexes with a hydrazide derivative of ibuprofen (named HIB) were synthesized and characterized by chemical and spectroscopic methods. Elemental and thermogravimetric analyses, as well as ESI-QTOF-MS studies for both complexes, confirmed a 1:2:2 metal/HIB/Cl- molar ratio. The crystal structure of the palladium(II) complex was solved by single crystal X-ray diffractometric analysis, which permitted identifying the coordination formula [PdCl2(HIB)2]. Crystallographic studies also indicate coordination of HIB to the metal by the NH2 group. Nuclear magnetic resonance and infrared spectroscopies reinforced the coordination observed in the crystal structure and suggested that the platinum(II) complex presents similar coordination modes and structure when compared with the Pd(II) complex. The complexes had their structures optimized with the aid of DFT methods. In vitro antiproliferative assays showed that the [PdCl2(HIB)2] complex is active over ovarian cancer cell line OVCAR-03, while biophysical studies indicated its capacity to interact with CT-DNA. The complexes were inactive over Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa bacterial strains.

  5. On the use of flow-storage repartitions derived from artificial tracer tests for geothermal reservoir characterization in the Malm-Molasse basin: a theoretical study

    Science.gov (United States)

    Dewi, Dina Silvia; Osaigbovo Enomayo, Augustine; Mohsin, Rizwan; Karmakar, Shyamal; Ghergut, Julia; Sauter, Martin

    2016-04-01

    Flow-storage repartition (FSR) analysis (Shook 2003) is a versatile tool for characterizing subsurface flow and transport systems. FSR can be derived from measured signals of inter-well tracer tests, if certain requirements are met - basically, the same as required for equivalence between fluid residence time distribution (RTD) and a measured inter-well tracer signal (pre-processed and de-convolved if necessary). Nominally, a FSR is derived from a RTD as a trajectory in normalized {1st, 0th}-order statistical moment space; more intuitively, as a parametric plot of 0th-order against 1st-order statistical moments of RTD truncated at time t, with t as a parameter running from the first tracer input to the latest available tracer sampling; 0th-order moments being normalized by the total tracer recovery, and 1st-order moments by the mean RT. Fracture-dominated systems plot in the upper left (high F , low S) region of FSR diagrams; a homogeneous single-continuum with no dispersion (infinite Peclet number) displays a straight line from {F ,S}={0,0} to {F ,S}={1,1}. This analysis tool appears particularly attractive for characterizing markedly-heterogeneous, porous-fissured-fractured (partly karstified) formations like those targeted by geothermal exploration in the Malm-Molasse basin in Southern Germany, and especially for quantifying flow and transport contributions from contrasting facies types ('reef' versus 'bedded'). However, tracer tests conducted in such systems with inter-well distances of some hundreds of metres (as required by economic considerations on geothermal reservoir sizing) face the problem of very long residence times - and thus the need to deal with incomplete (truncated) signals. For the geothermal well triplet at the Sauerlach site near Munich, tracer peak arrival times exceeding 2 years have been predicted, and signal tails decreasing by less than 50% over >10 years, which puts great uncertainty on the (extrapolation-based) normalizing factors

  6. Characterization of the HCNCO complex and its radiation-induced transformation to HNCCO in cold media: an experimental and theoretical investigation.

    Science.gov (United States)

    Kameneva, Svetlana V; Tyurin, Daniil A; Feldman, Vladimir I

    2017-09-13

    The HCNCO complex and its X-ray induced transformation to HNCCO in solid noble gas (Ng) matrices (Ng = Ne, Ar, Kr, Xe) was first characterized by matrix isolation FTIR spectroscopy at 5 K. The HCNCO complex was obtained by deposition of HCN/CO/Ng gaseous mixtures. The assignment was based on extensive quantum chemical calculations at the CCSD(T) level of theory. The calculations predicted two computationally stable structures for HCNCO and three stable structures for HNCCO. However, only the most energetically favorable linear structures corresponding to the co-ordination between the H atom of HCN (HNC) and the C atom of CO have been found experimentally. The HCNCO complex demonstrates a considerable red shift of the H-C stretching vibrations (-24 to -38 cm -1 , depending on the matrix) and a blue shift of the HCN bending vibrations (+29 to +32 cm -1 ) with respect to that of the HCN monomer, while the C[double bond, length as m-dash]O stretching mode is blue-shifted by 15 to 20 cm -1 as compared to the CO monomer. The HNCCO complex reveals a strong red shift of the H-N bending (-77 to -118 cm -1 ) and a strong blue shift of the HNC bending mode (ca. +100 cm -1 ) as compared to the HNC monomer, whereas the C[double bond, length as m-dash]O stretching is blue-shifted by 24 to 29 cm -1 with respect to that of the CO monomer. The interaction energies were determined to be 1.01 and 1.87 kcal mol -1 for HCNCO and HNCCO, respectively. It was found that the formation of complexes with CO had a remarkable effect on the radiation-induced transformations of HCN. While the dissociation of HCN to H and CN is suppressed in complexes, the isomerization of HCN to HNC is strongly catalyzed by the complexation with CO. The astrochemical implications of the results are discussed.

  7. Synthesis, characterization, Hirshfeld surface and theoretical ...

    Indian Academy of Sciences (India)

    ALI HARCHANI

    2017-09-06

    Sep 6, 2017 ... disordered m-toluidine was refined in two distinct positions ... Multi-scan: Tmin = 0.172, Tmax = 1 ... View of the structure of compound 1. ... Hirshfeld surfaces mapped with dnorm (mapped over a fixed color scale of −0.744 ...

  8. Theoretical Characterization of Hydrogen Bonding Interactions ...

    Indian Academy of Sciences (India)

    The highest stabilization results in case of (H2N)CHO as hydrogen bond acceptor. The variation of the substituents at –OH functional group also influences the strength of hydrogen bond; nearly all the substituents increase the stabilization energy relative to HOH. The analysis of geometrical parameters; proton affinities, ...

  9. Information theoretic description of networks

    Science.gov (United States)

    Wilhelm, Thomas; Hollunder, Jens

    2007-11-01

    We present a new information theoretic approach for network characterizations. It is developed to describe the general type of networks with n nodes and L directed and weighted links, i.e., it also works for the simpler undirected and unweighted networks. The new information theoretic measures for network characterizations are based on a transmitter-receiver analogy of effluxes and influxes. Based on these measures, we classify networks as either complex or non-complex and as either democracy or dictatorship networks. Directed networks, in particular, are furthermore classified as either information spreading and information collecting networks. The complexity classification is based on the information theoretic network complexity measure medium articulation (MA). It is proven that special networks with a medium number of links ( L∼n1.5) show the theoretical maximum complexity MA=(log n)2/2. A network is complex if its MA is larger than the average MA of appropriately randomized networks: MA>MAr. A network is of the democracy type if its redundancy Rdictatorship network. In democracy networks all nodes are, on average, of similar importance, whereas in dictatorship networks some nodes play distinguished roles in network functioning. In other words, democracy networks are characterized by cycling of information (or mass, or energy), while in dictatorship networks there is a straight through-flow from sources to sinks. The classification of directed networks into information spreading and information collecting networks is based on the conditional entropies of the considered networks ( H(A/B)=uncertainty of sender node if receiver node is known, H(B/A)=uncertainty of receiver node if sender node is known): if H(A/B)>H(B/A), it is an information collecting network, otherwise an information spreading network. Finally, different real networks (directed and undirected, weighted and unweighted) are classified according to our general scheme.

  10. 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

  11. Theoretical Physics Division

    International Nuclear Information System (INIS)

    This report is a survey of the studies done in the Theoretical Physics Division of the Nuclear Physics Institute; the subjects studied in theoretical nuclear physics were the few-nucleon problem, nuclear structure, nuclear reactions, weak interactions, intermediate energy and high energy physics. In this last field, the subjects studied were field theory, group theory, symmetry and strong interactions [fr

  12. A Set Theoretical Approach to Maturity Models

    DEFF Research Database (Denmark)

    Lasrado, Lester; Vatrapu, Ravi; Andersen, Kim Normann

    2016-01-01

    characterized by equifinality, multiple conjunctural causation, and case diversity. We prescribe methodological guidelines consisting of a six-step procedure to systematically apply set theoretic methods to conceptualize, develop, and empirically derive maturity models and provide a demonstration......Maturity Model research in IS has been criticized for the lack of theoretical grounding, methodological rigor, empirical validations, and ignorance of multiple and non-linear paths to maturity. To address these criticisms, this paper proposes a novel set-theoretical approach to maturity models...

  13. Theoretical nuclear physics

    CERN Document Server

    Blatt, John M

    1979-01-01

    A classic work by two leading physicists and scientific educators endures as an uncommonly clear and cogent investigation and correlation of key aspects of theoretical nuclear physics. It is probably the most widely adopted book on the subject. The authors approach the subject as ""the theoretical concepts, methods, and considerations which have been devised in order to interpret the experimental material and to advance our ability to predict and control nuclear phenomena.""The present volume does not pretend to cover all aspects of theoretical nuclear physics. Its coverage is restricted to

  14. Theoretical Computer Science

    DEFF Research Database (Denmark)

    2002-01-01

    The proceedings contains 8 papers from the Conference on Theoretical Computer Science. Topics discussed include: query by committee, linear separation and random walks; hardness results for neural network approximation problems; a geometric approach to leveraging weak learners; mind change...

  15. Summary on Theoretical Aspects

    CERN Document Server

    Soffer, Jacques

    2010-01-01

    During the five days of this conference a very dense scientific program has enlighted our research fields, with the presentation of large number of interesting lectures. I will try to summarize the theoretical aspects of some of these new results.

  16. Theoretical physics division

    International Nuclear Information System (INIS)

    Anon.

    The studies in 1977 are reviewed. In theoretical nuclear physics: nuclear structure, nuclear reactions, intermediate energy physics; in elementary particle physics: field theory, strong interactions dynamics, nucleon-nucleon interactions, new particles, current algebra, symmetries and quarks are studied [fr

  17. Theoretical physics division

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

    Research activities of the theoretical physics division for 1979 are described. Short summaries are given of specific research work in the following fields: nuclear structure, nuclear reactions, intermediate energy physics, elementary particles [fr

  18. A Theoretical Approach

    African Journals Online (AJOL)

    NICO

    L-rhamnose and L-fucose: A Theoretical Approach ... L-ramnose and L-fucose, by means of the Monte Carlo conformational search method. The energy of the conformers ..... which indicates an increased probability for the occurrence of.

  19. The nuclear core of sun: theoretical perspectives and characterization of the scientific performances of the GOLF / SOHO experiment detector; La region nucleaire du soleil: perspectives theoriques et caracterisation des performances scientifiques du detecteur de l`experience GOLF / SOHO

    Energy Technology Data Exchange (ETDEWEB)

    Dzitko, H

    1995-06-23

    The subject of this thesis is the nuclear core of the sun. The first part is theoretical and concerns neutrino flux predictions. A precise description of the solar plasma is necessary to predict boron, beryllium and CNO cycle neutrinos. We treat here the nuclear reaction rates. They are mainly determined by the cross sections and the enhancement factors due to plasma particles, the co-called screening factors. We have discussed the various possible formalisms that could be used in stellar evolution and performed direct calculations of screened cross sections. We concluded that the screening prescriptions which have been used so far in stellar evolution should be replaced by the Mitler formalism. Next, we examine the cross section uncertainties and we show that it is possible to get a better agreement between theory and experiment. Discrepancies between the gallium experiments and the calculations suggest that we should go beyond the classical solar model. This has motivated our study on possible magnetic fields deeply buried in the solar core. We discuss here the influence of a magnetic pressure perturbation on solar evolution. In the experimental part of this work, we deal with the GOLF experiment, one of the three helio-seismological experiments on board the space probe SOHO. The purpose of this instrument is the study of the global oscillation modes in the frequency range 10{sup -7} to 6 10{sup -3} Hz with a sensitivity for frequencies higher than 2 10{sup -4} Hz of about 1 mm/s over 20 days of continuous integration at counting rates of 12 10{sup 6} cs/s. One part of this work was devoted to the precise characterization of the photomultipliers and their associated electronics in order to select them according to their intrinsic performances. This step was followed by long duration tests of three weeks simulating as well as possible the flight conditions. We show that the detection chain effectively meets the stability requirements of around 10{sup -7} by

  20. Topics in Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, Andrew [Boston Univ., MA (United States); Schmaltz, Martin [Boston Univ., MA (United States); Katz, Emmanuel [Boston Univ., MA (United States); Rebbi, Claudio [Boston Univ., MA (United States); Glashow, Sheldon [Boston Univ., MA (United States); Brower, Richard [Boston Univ., MA (United States); Pi, So-Young [Boston Univ., MA (United States)

    2016-09-30

    This award supported a broadly based research effort in theoretical particle physics, including research aimed at uncovering the laws of nature at short (subatomic) and long (cosmological) distances. These theoretical developments apply to experiments in laboratories such as CERN, the facility that operates the Large Hadron Collider outside Geneva, as well as to cosmological investigations done using telescopes and satellites. The results reported here apply to physics beyond the so-called Standard Model of particle physics; physics of high energy collisions such as those observed at the Large Hadron Collider; theoretical and mathematical tools and frameworks for describing the laws of nature at short distances; cosmology and astrophysics; and analytic and computational methods to solve theories of short distance physics. Some specific research accomplishments include + Theories of the electroweak interactions, the forces that give rise to many forms of radioactive decay; + Physics of the recently discovered Higgs boson. + Models and phenomenology of dark matter, the mysterious component of the universe, that has so far been detected only by its gravitational effects. + High energy particles in astrophysics and cosmology. + Algorithmic research and Computational methods for physics of and beyond the Standard Model. + Theory and applications of relativity and its possible limitations. + Topological effects in field theory and cosmology. + Conformally invariant systems and AdS/CFT. This award also supported significant training of students and postdoctoral fellows to lead the research effort in particle theory for the coming decades. These students and fellows worked closely with other members of the group as well as theoretical and experimental colleagues throughout the physics community. Many of the research projects funded by this grant arose in response to recently obtained experimental results in the areas of particle physics and cosmology. We describe a few of

  1. Topics in Theoretical Physics

    International Nuclear Information System (INIS)

    Cohen, Andrew; Schmaltz, Martin; Katz, Emmanuel; Rebbi, Claudio; Glashow, Sheldon; Brower, Richard; Pi, So-Young

    2016-01-01

    This award supported a broadly based research effort in theoretical particle physics, including research aimed at uncovering the laws of nature at short (subatomic) and long (cosmological) distances. These theoretical developments apply to experiments in laboratories such as CERN, the facility that operates the Large Hadron Collider outside Geneva, as well as to cosmological investigations done using telescopes and satellites. The results reported here apply to physics beyond the so-called Standard Model of particle physics; physics of high energy collisions such as those observed at the Large Hadron Collider; theoretical and mathematical tools and frameworks for describing the laws of nature at short distances; cosmology and astrophysics; and analytic and computational methods to solve theories of short distance physics. Some specific research accomplishments include + Theories of the electroweak interactions, the forces that give rise to many forms of radioactive decay; + Physics of the recently discovered Higgs boson. + Models and phenomenology of dark matter, the mysterious component of the universe, that has so far been detected only by its gravitational effects. + High energy particles in astrophysics and cosmology. + Algorithmic research and Computational methods for physics of and beyond the Standard Model. + Theory and applications of relativity and its possible limitations. + Topological effects in field theory and cosmology. + Conformally invariant systems and AdS/CFT. This award also supported significant training of students and postdoctoral fellows to lead the research effort in particle theory for the coming decades. These students and fellows worked closely with other members of the group as well as theoretical and experimental colleagues throughout the physics community. Many of the research projects funded by this grant arose in response to recently obtained experimental results in the areas of particle physics and cosmology. We describe a few of

  2. Towards A Theoretical Biology: Reminiscences

    Indian Academy of Sciences (India)

    engaged in since the start of my career at the University of Chicago. Theoretical biology was ... research on theoretical problems in biology. Waddington, an ... aimed at stimulating the development of such a theoretical biology. The role the ...

  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. Compendium of theoretical physics

    CERN Document Server

    Wachter, Armin

    2006-01-01

    Mechanics, Electrodynamics, Quantum Mechanics, and Statistical Mechanics and Thermodynamics comprise the canonical undergraduate curriculum of theoretical physics. In Compendium of Theoretical Physics, Armin Wachter and Henning Hoeber offer a concise, rigorous and structured overview that will be invaluable for students preparing for their qualifying examinations, readers needing a supplement to standard textbooks, and research or industrial physicists seeking a bridge between extensive textbooks and formula books. The authors take an axiomatic-deductive approach to each topic, starting the discussion of each theory with its fundamental equations. By subsequently deriving the various physical relationships and laws in logical rather than chronological order, and by using a consistent presentation and notation throughout, they emphasize the connections between the individual theories. The reader’s understanding is then reinforced with exercises, solutions and topic summaries. Unique Features: Every topic is ...

  5. Concluding theoretical remarks

    International Nuclear Information System (INIS)

    Ellis, J.

    1986-01-01

    My task in this talk is to review the happenings of this workshop from a theoretical perspective, and to emphasize lines for possible future research. My remarks are organized into a theoretical overview of the what, why, (mainly the hierarchy problem) how, (supersymmetry must be broken: softly or spontaneously, and if the latter, by means of a new U tilde(1) gauge group or through the chiral superfields) when (how heavy are supersymmetric partner particles in different types of theories) and where (can one find evidence for) supersymmetry. In the last part are discussed various ongoing and future searches for photinos γ tilde, gravitinos G tilde, the U vector boson, shiggses H tilde, squarks q tilde and sleptons l tilde, gluinos g tilde, winos W tilde and other gauginos, as well as hunts for indirect effects of supersymmetry, such as for example in baryon decay. Finally there is a little message of encouragement to our experimental colleagues, based on historical precedent. (orig.)

  6. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

    This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...

  7. Silicene: Recent theoretical advances

    KAUST Repository

    Lew Yan Voon, L. C.; Zhu, Jiajie; Schwingenschlö gl, Udo

    2016-01-01

    Silicene is a two-dimensional allotrope of silicon with a puckered hexagonal structure closely related to the structure of graphene and that has been predicted to be stable. To date, it has been successfully grown in solution (functionalized) and on substrates. The goal of this review is to provide a summary of recent theoretical advances in the properties of both free-standing silicene as well as in interaction with molecules and substrates, and of proposed device applications.

  8. Silicene: Recent theoretical advances

    KAUST Repository

    Lew Yan Voon, L. C.

    2016-04-14

    Silicene is a two-dimensional allotrope of silicon with a puckered hexagonal structure closely related to the structure of graphene and that has been predicted to be stable. To date, it has been successfully grown in solution (functionalized) and on substrates. The goal of this review is to provide a summary of recent theoretical advances in the properties of both free-standing silicene as well as in interaction with molecules and substrates, and of proposed device applications.

  9. MARKETING MIX THEORETICAL ASPECTS

    OpenAIRE

    Margarita Išoraitė

    2016-01-01

    Aim of article is to analyze marketing mix theoretical aspects. The article discusses that marketing mix is one of the main objectives of the marketing mix elements for setting objectives and marketing budget measures. The importance of each element depends not only on the company and its activities, but also on the competition and time. All marketing elements are interrelated and should be seen in the whole of their actions. Some items may have greater importance than others; it depends main...

  10. Robustness - theoretical framework

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard; Rizzuto, Enrico; Faber, Michael H.

    2010-01-01

    More frequent use of advanced types of structures with limited redundancy and serious consequences in case of failure combined with increased requirements to efficiency in design and execution followed by increased risk of human errors has made the need of requirements to robustness of new struct...... of this fact sheet is to describe a theoretical and risk based framework to form the basis for quantification of robustness and for pre-normative guidelines....

  11. Theoretical high energy physics

    International Nuclear Information System (INIS)

    Lee, T.D.

    1990-05-01

    This report discusses progress on theoretical high energy physics at Columbia University in New York City. Some of the topics covered are: Chern-Simons gauge field theories; dynamical fermion QCD calculations; lattice gauge theory; the standard model of weak and electromagnetic interactions; Boson-fermion model of cuprate superconductors; S-channel theory of superconductivity and axial anomaly and its relation to spin in the parton model

  12. 3. Theoretical Physics Division

    International Nuclear Information System (INIS)

    For the period September 1980 - Aug 1981, the studies in theoretical physics divisions have been compiled under the following headings: in nuclear physics, nuclear structure, nuclear reactions and intermediate energies; in particle physics, NN and NantiN interactions, dual topological unitarization, quark model and quantum chromodynamics, classical and quantum field theories, non linear integrable equations and topological preons and Grand unified theories. A list of publications, lectures and meetings is included [fr

  13. Theoretical developments in SUSY

    International Nuclear Information System (INIS)

    Shifman, M.

    2009-01-01

    I am proud that I was personally acquainted with Julius Wess. We first met in 1999 when I was working on the Yuri Golfand Memorial Volume (The Many Faces of the Superworld, World Scientific, Singapore, 2000). I invited him to contribute, and he accepted this invitation with enthusiasm. After that, we met many times, mostly at various conferences in Germany and elsewhere. I was lucky to discuss with Julius questions of theoretical physics, and hear his recollections on how supersymmetry was born. In physics Julius was a visionary, who paved the way to generations of followers. In everyday life he was a kind and modest person, always ready to extend a helping hand to people who were in need of his help. I remember him telling me how concerned he was about the fate of theoretical physicists in Eastern Europe after the demise of communism. His ties with Israeli physicists bore a special character. I am honored by the opportunity to contribute an article to the Julius Wess Memorial Volume. I review theoretical developments of the recent years in non-perturbative supersymmetry. (orig.)

  14. Theoretical developments in SUSY

    Energy Technology Data Exchange (ETDEWEB)

    Shifman, M. [University of Minnesota, William I. Fine Theoretical Physics Institute, Minneapolis, MN (United States)

    2009-01-15

    I am proud that I was personally acquainted with Julius Wess. We first met in 1999 when I was working on the Yuri Golfand Memorial Volume (The Many Faces of the Superworld, World Scientific, Singapore, 2000). I invited him to contribute, and he accepted this invitation with enthusiasm. After that, we met many times, mostly at various conferences in Germany and elsewhere. I was lucky to discuss with Julius questions of theoretical physics, and hear his recollections on how supersymmetry was born. In physics Julius was a visionary, who paved the way to generations of followers. In everyday life he was a kind and modest person, always ready to extend a helping hand to people who were in need of his help. I remember him telling me how concerned he was about the fate of theoretical physicists in Eastern Europe after the demise of communism. His ties with Israeli physicists bore a special character. I am honored by the opportunity to contribute an article to the Julius Wess Memorial Volume. I review theoretical developments of the recent years in non-perturbative supersymmetry. (orig.)

  15. Theoretical Developments in SUSY

    Science.gov (United States)

    Shifman, M.

    2009-01-01

    I am proud that I was personally acquainted with Julius Wess. We first met in 1999 when I was working on the Yuri Golfand Memorial Volume (The Many Faces of the Superworld, World Scientific, Singapore, 2000). I invited him to contribute, and he accepted this invitation with enthusiasm. After that, we met many times, mostly at various conferences in Germany and elsewhere. I was lucky to discuss with Julius questions of theoretical physics, and hear his recollections on how supersymmetry was born. In physics Julius was a visionary, who paved the way to generations of followers. In everyday life he was a kind and modest person, always ready to extend a helping hand to people who were in need of his help. I remember him telling me how concerned he was about the fate of theoretical physicists in Eastern Europe after the demise of communism. His ties with Israeli physicists bore a special character. I am honored by the opportunity to contribute an article to the Julius Wess Memorial Volume. I will review theoretical developments of the recent years in non-perturbative supersymmetry.

  16. 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

  17. Theoretical astrophysics an introduction

    CERN Document Server

    Bartelmann, Matthias

    2013-01-01

    A concise yet comprehensive introduction to the central theoretical concepts of modern astrophysics, presenting hydrodynamics, radiation, and stellar dynamics all in one textbook. Adopting a modular structure, the author illustrates a small number of fundamental physical methods and principles, which are sufficient to describe and understand a wide range of seemingly very diverse astrophysical phenomena and processes. For example, the formulae that define the macroscopic behavior of stellar systems are all derived in the same way from the microscopic distribution function. This function it

  18. Review of theoretical results

    International Nuclear Information System (INIS)

    Barrett, R.C.

    1979-01-01

    Nowadays the 'experimental' charge densities are produced with convincing error estimates due to new methods and techniques. In addition the accuracy of those experiments means that r.m.s. radii are known within a few hundredths of a fermi. Because of that accuracy the theorists are left far behind. In order to show which theoretical possiblities exist at the moment we will discuss the single particle shell model and the Hartree-Fock or mean field approximation. Corrections to the mean field approximation are described. Finally, some examples and conclusions are presented. (KBE)

  19. Information theoretic preattentive saliency

    DEFF Research Database (Denmark)

    Loog, Marco

    2011-01-01

    Employing an information theoretic operational definition of bottom-up attention from the field of computational visual perception a very general expression for saliency is provided. As opposed to many of the current approaches to determining a saliency map there is no need for an explicit data...... of which features, image information is described. We illustrate our result by determining a few specific saliency maps based on particular choices of features. One of them makes the link with the mapping underlying well-known Harris interest points, which is a result recently obtained in isolation...

  20. Theoretical high energy physics

    International Nuclear Information System (INIS)

    Lee, T.D.

    1991-01-01

    This report discusses theoretical research in high energy physics at Columbia University. Some of the research topics discussed are: quantum chromodynamics with dynamical fermions; lattice gauge theory; scattering of neutrinos by photons; atomic physics constraints on the properties of ultralight-ultraweak gauge bosons; black holes; Chern- Simons physics; S-channel theory of superconductivity; charged boson system; gluon-gluon interactions; high energy scattering in the presence of instantons; anyon physics; causality constraints on primordial magnetic manopoles; charged black holes with scalar hair; properties of Chern-Aimona-Higgs solitons; and extended inflationary universe

  1. Theoretical Fluid Dynamics

    CERN Document Server

    Shivamoggi, Bhimsen K

    1998-01-01

    "Although there are many texts and monographs on fluid dynamics, I do not know of any which is as comprehensive as the present book. It surveys nearly the entire field of classical fluid dynamics in an advanced, compact, and clear manner, and discusses the various conceptual and analytical models of fluid flow." - Foundations of Physics on the first edition. Theoretical Fluid Dynamics functions equally well as a graduate-level text and a professional reference. Steering a middle course between the empiricism of engineering and the abstractions of pure mathematics, the author focuses

  2. Theoretical Optics An Introduction

    CERN Document Server

    Römer, Hartmann

    2004-01-01

    Starting from basic electrodynamics, this volume provides a solid, yet concise introduction to theoretical optics, containing topics such as nonlinear optics, light-matter interaction, and modern topics in quantum optics, including entanglement, cryptography, and quantum computation. The author, with many years of experience in teaching and research, goes way beyond the scope of traditional lectures, enabling readers to keep up with the current state of knowledge. Both content and presentation make it essential reading for graduate and phD students as well as a valuable reference for researche

  3. Dark matter: Theoretical perspectives

    International Nuclear Information System (INIS)

    Turner, M.S.

    1993-01-01

    The author both reviews and makes the case for the current theoretical prejudice: a flat Universe whose dominant constituent is nonbaryonic dark matter, emphasizing that this is still a prejudice and not yet fact. The theoretical motivation for nonbaryonic dark matter is discussed in the context of current elementary-particle theory, stressing that (i) there are no dark-matter candidates within the open-quotes standard modelclose quotes of particle physics, (ii) there are several compelling candidates within attractive extensions of the standard model of particle physics, and (iii) the motivation for these compelling candidates comes first and foremost from particle physics. The dark-matter problem is now a pressing issue in both cosmology and particle physics, and the detection of particle dark matter would provide evidence for open-quotes new physics.close quotes The compelling candidates are a very light axion (10 -6 --10 -4 eV), a light neutrino (20--90 eV), and a heavy neutralino (10 GeV--2 TeV). The production of these particles in the early Universe and the prospects for their detection are also discussed. The author briefly mentions more exotic possibilities for the dark matter, including a nonzero cosmological constant, superheavy magnetic monopoles, and decaying neutrinos. 119 refs

  4. Dark matter: Theoretical perspectives

    International Nuclear Information System (INIS)

    Turner, M.S.

    1993-01-01

    I both review and make the case for the current theoretical prejudice: a flat Universe whose dominant constituent is nonbaryonic dark matter, emphasizing that this is still a prejudice and not yet fact. The theoretical motivation for nonbaryonic dark matter is discussed in the context of current elementary-particle theory, stressing that: (1) there are no dark matter candidates within the standard model of particle physics; (2) there are several compelling candidates within attractive extensions of the standard model of particle physics; and (3) the motivation for these compelling candidates comes first and foremost from particle physics. The dark-matter problem is now a pressing issue in both cosmology and particle physics, and the detection of particle dark matter would provide evidence for ''new physics.'' The compelling candidates are: a very light axion ( 10 -6 eV--10 -4 eV); a light neutrino (20 eV--90 eV); and a heavy neutralino (10 GeV--2 TeV). The production of these particles in the early Universe and the prospects for their detection are also discussed. I briefly mention more exotic possibilities for the dark matter, including a nonzero cosmological constant, superheavy magnetic monopoles, and decaying neutrinos

  5. Theoretical physics. Quantum mechanics

    International Nuclear Information System (INIS)

    Rebhan, Eckhard

    2008-01-01

    From the first in two comprehensive volumes appeared Theoretical Physics of the author by this after Mechanics and Electrodynamics also Quantum mechanics appears as thinner single volume. First the illustrative approach via wave mechanics is reproduced. The more abstract Hilbert-space formulation introduces the author later by postulates, which are because of the preceding wave mechanics sufficiently plausible. All concepts of quantum mechanics, which contradict often to the intuitive understanding formed by macroscopic experiences, are extensively discussed and made by means of many examples as well as problems - in the largest part provided with solutions - understandable. To the interpretation of quantum mechanics an extensive special chapter is dedicated. this book arose from courses on theoretical physics, which the author has held at the Heinrich-Heine University in Duesseldorf, and was in numerous repetitions fitted to the requirement of the studyings. it is so designed that it is also after the study suited as reference book or for the renewing. All problems are very thoroughly and such extensively studied that each step is separately reproducible. About motivation and good understandability is cared much

  6. Dark matter: Theoretical perspectives

    Energy Technology Data Exchange (ETDEWEB)

    Turner, M.S. (Chicago Univ., IL (United States). Enrico Fermi Inst. Fermi National Accelerator Lab., Batavia, IL (United States))

    1993-01-01

    I both review and make the case for the current theoretical prejudice: a flat Universe whose dominant constituent is nonbaryonic dark matter, emphasizing that this is still a prejudice and not yet fact. The theoretical motivation for nonbaryonic dark matter is discussed in the context of current elementary-particle theory, stressing that: (1) there are no dark matter candidates within the standard model of particle physics; (2) there are several compelling candidates within attractive extensions of the standard model of particle physics; and (3) the motivation for these compelling candidates comes first and foremost from particle physics. The dark-matter problem is now a pressing issue in both cosmology and particle physics, and the detection of particle dark matter would provide evidence for new physics.'' The compelling candidates are: a very light axion ( 10[sup [minus]6] eV--10[sup [minus]4] eV); a light neutrino (20 eV--90 eV); and a heavy neutralino (10 GeV--2 TeV). The production of these particles in the early Universe and the prospects for their detection are also discussed. I briefly mention more exotic possibilities for the dark matter, including a nonzero cosmological constant, superheavy magnetic monopoles, and decaying neutrinos.

  7. Dark matter: Theoretical perspectives

    Energy Technology Data Exchange (ETDEWEB)

    Turner, M.S. [Chicago Univ., IL (United States). Enrico Fermi Inst.]|[Fermi National Accelerator Lab., Batavia, IL (United States)

    1993-01-01

    I both review and make the case for the current theoretical prejudice: a flat Universe whose dominant constituent is nonbaryonic dark matter, emphasizing that this is still a prejudice and not yet fact. The theoretical motivation for nonbaryonic dark matter is discussed in the context of current elementary-particle theory, stressing that: (1) there are no dark matter candidates within the standard model of particle physics; (2) there are several compelling candidates within attractive extensions of the standard model of particle physics; and (3) the motivation for these compelling candidates comes first and foremost from particle physics. The dark-matter problem is now a pressing issue in both cosmology and particle physics, and the detection of particle dark matter would provide evidence for ``new physics.`` The compelling candidates are: a very light axion ( 10{sup {minus}6} eV--10{sup {minus}4} eV); a light neutrino (20 eV--90 eV); and a heavy neutralino (10 GeV--2 TeV). The production of these particles in the early Universe and the prospects for their detection are also discussed. I briefly mention more exotic possibilities for the dark matter, including a nonzero cosmological constant, superheavy magnetic monopoles, and decaying neutrinos.

  8. Theoretical physics 3 electrodynamics

    CERN Document Server

    Nolting, Wolfgang

    2016-01-01

    This textbook offers a clear and comprehensive introduction to electrodynamics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series. The first part of the book describes the interaction of electric charges and magnetic moments by introducing electro- and magnetostatics. The second part of the book establishes deeper understanding of electrodynamics with the Maxwell equations, quasistationary fields and electromagnetic fields. All sections are accompanied by a detailed introduction to the math needed. Ideally suited to undergraduate students with some grounding in classical and analytical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful Germa...

  9. Theoretical physics 5 thermodynamics

    CERN Document Server

    Nolting, Wolfgang

    2017-01-01

    This concise textbook offers a clear and comprehensive introduction to thermodynamics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series, defining macroscopic variables, such as internal energy, entropy and pressure,together with thermodynamic principles. The first part of the book introduces the laws of thermodynamics and thermodynamic potentials. More complex themes are covered in the second part of the book, which describes phases and phase transitions in depth. Ideally suited to undergraduate students with some grounding in classical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this series cove...

  10. Theoretical Molecular Biophysics

    CERN Document Server

    Scherer, Philipp

    2010-01-01

    "Theoretical Molecular Biophysics" is an advanced study book for students, shortly before or after completing undergraduate studies, in physics, chemistry or biology. It provides the tools for an understanding of elementary processes in biology, such as photosynthesis on a molecular level. A basic knowledge in mechanics, electrostatics, quantum theory and statistical physics is desirable. The reader will be exposed to basic concepts in modern biophysics such as entropic forces, phase separation, potentials of mean force, proton and electron transfer, heterogeneous reactions coherent and incoherent energy transfer as well as molecular motors. Basic concepts such as phase transitions of biopolymers, electrostatics, protonation equilibria, ion transport, radiationless transitions as well as energy- and electron transfer are discussed within the frame of simple models.

  11. Theoretical nuclear physics

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The theoretical physics program in the Physics Division at ORNL involves research in both nuclear and atomic physics. In nuclear physics there is extensive activity in the fields of direct nuclear reactions with light- and heavy-ion projectiles, the structure of nuclei far from stability and at elevated temperatures, and the microscopic and macroscopic description of heavy-ion dynamics, including the behavior of nuclear molecules and supernuclei. New research efforts in relativistic nuclear collisions and in the study of quark-gluon plasma have continued to grow this year. The atomic theory program deals with a variety of ionization, multiple-vacancy production, and charge-exchange processes. Many of the problems are selected because of their relevance to the magnetic fusion energy program. In addition, there is a joint atomic-nuclear theory effort to study positron production during the collision of two high-Z numbers, i.e., U+U. A new Distinguished Scientist program, sponsored jointly by the University of Tennessee and ORNL, has been initiated. Among the first appointments is G.F. Bertsch in theoretical physics. As a result of this appointment, Bertsch and an associated group of four theorists split their time between UT and ORNL. In addition, the State of Tennessee has established a significant budget to support the visits of outstanding scientists to the Joint Institute for Heavy Ion Research at ORNL. This budget should permit a significant improvement in the visitor program at ORNL. Finally, the Laboratory awarded a Wigner post-doctoral Appointment to a theorist who will work in the theory group of the Physics Division

  12. Theoretical Approaches to Coping

    Directory of Open Access Journals (Sweden)

    Sofia Zyga

    2013-01-01

    Full Text Available Introduction: Dealing with stress requires conscious effort, it cannot be perceived as equal to individual's spontaneous reactions. The intentional management of stress must not be confused withdefense mechanisms. Coping differs from adjustment in that the latter is more general, has a broader meaning and includes diverse ways of facing a difficulty.Aim: An exploration of the definition of the term "coping", the function of the coping process as well as its differentiation from other similar meanings through a literature review.Methodology: Three theoretical approaches of coping are introduced; the psychoanalytic approach; approaching by characteristics; and the Lazarus and Folkman interactive model.Results: The strategic methods of the coping approaches are described and the article ends with a review of the approaches including the functioning of the stress-coping process , the classificationtypes of coping strategies in stress-inducing situations and with a criticism of coping approaches.Conclusions: The comparison of coping in different situations is difficult, if not impossible. The coping process is a slow process, so an individual may select one method of coping under one set ofcircumstances and a different strategy at some other time. Such selection of strategies takes place as the situation changes.

  13. Theoretical disagreement about law

    Directory of Open Access Journals (Sweden)

    Zdravković Miloš

    2014-01-01

    Full Text Available As the dominant direction of the study of legal phenomena, legal positivism has suffered criticisms above all from representatives of natural law. Nevertheless, the most complex criticism of legal positivism came from Ronald Dworkin. With the methodological criticism he formed in 'Law's Empire', Dworkin attacked the sole foundations of legal positivism and his main methodological assumptions. Quoting the first postulate of positivism, which understands the law as a fact, Dworkin claims that, if this comprehension is correct, there could be no dispute among jurists concerning the law, except if some of them make an empirical mistake while establishing facts. Since this is not the case, Dworkin proves that this is actually a theoretical disagreement which does not represent a disagreement about the law itself, but about its morality. On these grounds, he rejects the idea of law as a fact and claims that the law is an interpretive notion, which means that disagreements within jurisprudence are most frequently interpretative disagreements over criteria of legality, and not empirical disagreements over historic and social facts.

  14. Synthesis and characterization of triglyceride based thermosetting polymers

    Science.gov (United States)

    Can, Erde

    2005-07-01

    Plant oils, which are found in abundance in all parts of the world and are easily replenished annually, have the potential to replace petroleum as a chemical feedstock for making polymers. Within the past few years, there has been growing interest to use triglycerides as the basic constituent of thermosetting polymers with the necessary rigidity, strength and glass transition temperatures required for engineering applications. Plant oils are not polymerizable in their natural form, however various functional groups that can polymerize can easily be attached to the triglyceride structure making them ideal cross-linking monomers for thermosetting liquid molding resins. Through this research project a number of thermosetting liquid molding resins based on soybean and castor oil, which is a specialty oil with hydroxyls on its fatty acids, have been developed. The triglyceride based monomers were prepared via the malination of the alcoholysis products of soybean and castor oil with various polyols, such as pentaerythritol, glycerol, and Bisphenol A propoxylate. The malinated glycerides were then cured in the presence of a reactive diluent, such as styrene, to form rigid glassy materials with a wide range of properties. In addition to maleate half-esters, methacrylates were also introduced to the glyceride structure via methacrylation of the soybean oil glycerolysis product with methacrylic anhydride. This product, which contains methacrylic acid as by-product, and its blends with styrene also gave rigid materials when cured. The triglyceride based monomers were characterized via conventional spectroscopic techniques. Time resolved FTIR analysis was used to determine the curing kinetics and the final conversions of polymerization of the malinated glyceride-styrene blends. Dynamic Mechanical Analysis (DMA) was used to determine the thermomechanical behavior of these polymers and other mechanical properties were determined via standard mechanical tests. The use of lignin

  15. Theoretical Division progress report

    International Nuclear Information System (INIS)

    Cooper, N.G.

    1979-04-01

    This report presents highlights of activities in the Theoretical (T) Division from October 1976-January 1979. The report is divided into three parts. Part I presents an overview of the Division: its unique function at the Los Alamos Scientific Laboratory (LASL) and within the scientific community as a whole; the organization of personnel; the main areas of research; and a survey of recent T-Division initiatives. This overview is followed by a survey of the 13 groups within the Division, their main responsibilities, interests, and expertise, consulting activities, and recent scientific accomplisments. The remainder of the report, Parts II and III, is devoted to articles on selected research activities. Recent efforts on topics of immediate interest to energy and weapons programs at LASL and elsewhere are described in Part II, Major National Programs. Separate articles present T-Divison contributions to weapons research, reactor safety and reactor physics research, fusion research, laser isotope separation, and other energy research. Each article is a compilation of independent projects within T Division, all related to but addressing different aspects of the major program. Part III is organized by subject discipline, and describes recent scientific advances of fundamental interest. An introduction, defining the scope and general nature of T-Division efforts within a given discipline, is followed by articles on the research topics selected. The reporting is done by the scientists involved in the research, and an attempt is made to communicate to a general audience. Some data are given incidentally; more technical presentations of the research accomplished may be found among the 47 pages of references. 110 figures, 5 tables

  16. TAD- THEORETICAL AERODYNAMICS PROGRAM

    Science.gov (United States)

    Barrowman, J.

    1994-01-01

    This theoretical aerodynamics program, TAD, was developed to predict the aerodynamic characteristics of vehicles with sounding rocket configurations. These slender, axisymmetric finned vehicle configurations have a wide range of aeronautical applications from rockets to high speed armament. Over a given range of Mach numbers, TAD will compute the normal force coefficient derivative, the center-of-pressure, the roll forcing moment coefficient derivative, the roll damping moment coefficient derivative, and the pitch damping moment coefficient derivative of a sounding rocket configured vehicle. The vehicle may consist of a sharp pointed nose of cone or tangent ogive shape, up to nine other body divisions of conical shoulder, conical boattail, or circular cylinder shape, and fins of trapezoid planform shape with constant cross section and either three or four fins per fin set. The characteristics computed by TAD have been shown to be accurate to within ten percent of experimental data in the supersonic region. The TAD program calculates the characteristics of separate portions of the vehicle, calculates the interference between separate portions of the vehicle, and then combines the results to form a total vehicle solution. Also, TAD can be used to calculate the characteristics of the body or fins separately as an aid in the design process. Input to the TAD program consists of simple descriptions of the body and fin geometries and the Mach range of interest. Output includes the aerodynamic characteristics of the total vehicle, or user-selected portions, at specified points over the mach range. The TAD program is written in FORTRAN IV for batch execution and has been implemented on an IBM 360 computer with a central memory requirement of approximately 123K of 8 bit bytes. The TAD program was originally developed in 1967 and last updated in 1972.

  17. SYNTHESIS, SPECTRAL AND THEORETICAL CHARACTERIZATION OF 5,6-DICHLORO/DIMETHYL-2-(2´,3´/2´,4´/2´,5´/3´,4´/3´,5´-DIMETHOXYPHENYL-1H-BENZIMIDAZOLES

    Directory of Open Access Journals (Sweden)

    Demet Gürbüz

    2016-12-01

    Full Text Available 5,6-Dichloro/dimethyl-2-(2´,3´/2´,4´/2´,5´/3´,4´/3´,5´-dimethoxyphenyl-1H-benzimidazoles were synthesized and characterized by using analytical data, FT-IR, FT-Raman, NMR, ESI-MS and fl uorescence spectroscopy. The optimized molecular geometry, zero point energy, dipole moment, ESE, band gap and charge distributions were calculated by Gaussian 09 using Density Functional Theory (DFT, RB3LYP with 6-31++G(d,p basis set. According to the calculations, the molecules have structures with various torsion angles between the benzimidazole and benzene rings from 9.7º to 47.8º. The calculated energy values with ZPE correction and DFT show that the methyl derivatives are more stable than the chloro forms. 3´,4´-Dimethoxy derivatives have higher decomposition points in comparison with the other compounds in series. The chlorine atoms of 5,6-dichloro-2- (2´,3´/2´,4´/2´,5´/3´,4´/3´,5´-dimethoxyphenyl-1H-benzimidazoles are positively charged whereas the C5 and C6 carbon atoms are negatively charged due to the attached chlorine atoms, in virtue of the electron withdrawing characteristic of the imidazole part of the benzimidazole ring. Also, some calculated prominent bond lengths and bond angles were discussed.

  18. Synthesis, spectral characterization, theoretical, antimicrobial, DNA interaction and in vitro anticancer studies of Cu(II and Zn(II complexes with pyrimidine-morpholine based Schiff base ligand

    Directory of Open Access Journals (Sweden)

    M. Sankarganesh

    2018-05-01

    Full Text Available Novel Cu(II (1 and Zn(II (2 complexes with 4-(1-(4-morpholinophenylethylideneaminopyrimidine-5-carbonitrile (L have been synthesized and characterized by various spectroscopic and analytical techniques. DFT (density functional theory studies result confirms that, LMCT mechanism have been done between L and M(II ions. The antimicrobial studies indicate that the ligand L and complexes 1 & 2 exhibit higher activity against the E. coli bacteria and C. albicans fungi. The groove binding mode of ligand L and complexes 1 & 2 with CT-DNA have been confirmed by electronic absorption, competitive binding, viscometric and cyclic voltammetric studies. The electronic absorption titration of ligand L and complexes 1 & 2 with DNA have been carried out in different buffer solutions (pH 4.0, 7.0 & 10.0. The Kb values of ligand L and complexes 1 & 2 are higher in acidic buffer at pH 4.0 (Kb = 2.42 × 105, L; 2.8 × 105, 1; 2.65 × 105, 2 and the results revealed that, the interaction of synthesized compounds with DNA were higher in the acidic medium than basic and neutral medium. Furthermore, CT-DNA cleavage studies of ligand L and complexes 1 & 2 have been studied. The in vitro anticancer activities results show that complexes 1 & 2 have moderate cytotoxicity against cancer cell lines and low toxicity on normal cell line than ligand L. Keywords: Pyrimidine, Morpholine, DFT, Antimicrobial, DNA binding, Anticancer studies

  19. The power of theoretical knowledge.

    Science.gov (United States)

    Alligood, Martha Raile

    2011-10-01

    Nursing theoretical knowledge has demonstrated powerful contributions to education, research, administration and professional practice for guiding nursing thought and action. That knowledge has shifted the primary focus of the nurse from nursing functions to the person. Theoretical views of the person raise new questions, create new approaches and instruments for nursing research, and expand nursing scholarship throughout the world.

  20. Comments on 'An information-theoretic basis for uncertainty analysis: application to the QUASAR severe accident study' by S.D. Unwin, E.G. Cazzoli, R.E. Davis and others, and 'Uncertainty characterization of data for probabilistic risk assessment' by R.A. Bari and C.K. Park

    International Nuclear Information System (INIS)

    Cooke, R.M.

    1989-01-01

    Comments on papers by Bari and Park (Uncertainty Characterization of Data for probabilistic risk assessment) and Unwin et al (An information-theoretic Basis for Uncertainty Analysis) are made. These raise issues on the work expounded. The main one is that entropy is not a proper measure of uncertainty, especially for a continuous variable, mainly because the entropy for a continuous distribution is not invariant and can be negative. The use of expert opinion and the method proposed for evaluating uncertainty are discussed. One comment makes three points, first good elicitation practice is more useful than a few constraints on probability distributions, second the maximum entropy approach can be a useful addition to good elicitation practice, third that the maximum entropy approach is misused. (UK)

  1. Characterization of revenue equivalence

    NARCIS (Netherlands)

    Heydenreich, B.; Müller, R.; Uetz, Marc Jochen; Vohra, R.

    2009-01-01

    The property of an allocation rule to be implementable in dominant strategies by a unique payment scheme is called revenue equivalence. We give a characterization of revenue equivalence based on a graph theoretic interpretation of the incentive compatibility constraints. The characterization holds

  2. 2nd International Conference on Proof-Theoretic Semantics

    CERN Document Server

    Schroeder-Heister, Peter

    2016-01-01

    This volume is the first ever collection devoted to the field of proof-theoretic semantics. Contributions address topics including the systematics of introduction and elimination rules and proofs of normalization, the categorial characterization of deductions, the relation between Heyting's and Gentzen's approaches to meaning, knowability paradoxes, proof-theoretic foundations of set theory, Dummett's justification of logical laws, Kreisel's theory of constructions, paradoxical reasoning, and the defence of model theory. The field of proof-theoretic semantics has existed for almost 50 years, but the term itself was proposed by Schroeder-Heister in the 1980s. Proof-theoretic semantics explains the meaning of linguistic expressions in general and of logical constants in particular in terms of the notion of proof. This volume emerges from presentations at the Second International Conference on Proof-Theoretic Semantics in Tübingen in 2013, where contributing authors were asked to provide a self-contained descri...

  3. Theoretical chemistry advances and perspectives

    CERN Document Server

    Eyring, Henry

    1980-01-01

    Theoretical Chemistry: Advances and Perspectives, Volume 5 covers articles concerning all aspects of theoretical chemistry. The book discusses the mean spherical approximation for simple electrolyte solutions; the representation of lattice sums as Mellin-transformed products of theta functions; and the evaluation of two-dimensional lattice sums by number theoretic means. The text also describes an application of contour integration; a lattice model of quantum fluid; as well as the computational aspects of chemical equilibrium in complex systems. Chemists and physicists will find the book usef

  4. Theoretical tools for B physics

    International Nuclear Information System (INIS)

    Mannel, T.

    2006-01-01

    In this talk I try to give an overview over the theoretical tools used to compute observables in B physics. The main focus is the developments in the 1/m Expansion in semileptonic and nonleptonic decays. (author)

  5. Theoretical approaches to elections defining

    OpenAIRE

    Natalya V. Lebedeva

    2011-01-01

    Theoretical approaches to elections defining develop the nature, essence and content of elections, help to determine their place and a role as one of the major national law institutions in democratic system.

  6. Theoretical approaches to elections defining

    Directory of Open Access Journals (Sweden)

    Natalya V. Lebedeva

    2011-01-01

    Full Text Available Theoretical approaches to elections defining develop the nature, essence and content of elections, help to determine their place and a role as one of the major national law institutions in democratic system.

  7. Theoretical Linguistics And Multilingualism Research

    African Journals Online (AJOL)

    KATEVG

    This paper tries to construct a bridge between the concerns of theoretical ... released the legendary song with the singular bridge over forty years ago): .... Another set of cases concerns the frozen forms pass and fail, which occur without any.

  8. Theoretical Principles of Distance Education.

    Science.gov (United States)

    Keegan, Desmond, Ed.

    This book contains the following papers examining the didactic, academic, analytic, philosophical, and technological underpinnings of distance education: "Introduction"; "Quality and Access in Distance Education: Theoretical Considerations" (D. Randy Garrison); "Theory of Transactional Distance" (Michael G. Moore);…

  9. Franchise Business Model: Theoretical Insights

    OpenAIRE

    Levickaitė, Rasa; Reimeris, Ramojus

    2010-01-01

    The article is based on literature review, theoretical insights, and deals with the topic of franchise business model. The objective of the paper is to analyse peculiarities of franchise business model and its developing conditions in Lithuania. The aim of the paper is to make an overview on franchise business model and its environment in Lithuanian business context. The overview is based on international and local theoretical insights. In terms of practical meaning, this article should be re...

  10. Nonlinear problems in theoretical physics

    International Nuclear Information System (INIS)

    Ranada, A.F.

    1979-01-01

    This volume contains the lecture notes and review talks delivered at the 9th GIFT international seminar on theoretical physics on the general subject 'Nonlinear Problems in Theoretical Physics'. Mist contributions deal with recent developments in the theory of the spectral transformation and solitons, but there are also articles from the field of transport theory and plasma physics and an unconventional view of classical and quantum electrodynamics. All contributions to this volume will appear under their corresponding subject categories. (HJ)

  11. Information-theoretic characterization of dynamic energy systems

    Science.gov (United States)

    Bevis, Troy Lawson

    The latter half of the 20th century saw tremendous growth in nearly every aspect of civilization. From the internet to transportation, the various infrastructures relied upon by society has become exponentially more complex. Energy systems are no exception, and today the power grid is one of the largest infrastructures in the history of the world. The growing infrastructure has led to an increase in not only the amount of energy produced, but also an increase in the expectations of the energy systems themselves. The need for a power grid that is reliable, secure, and efficient is apparent, and there have been several initiatives to provide such a system. These increases in expectations have led to a growth in the renewable energy sources that are being integrated into the grid, a change that increases efficiency and disperses the generation throughout the system. Although this change in the grid infrastructure is beneficial, it leads to grand challenges in system level control and operation. As the number of sources increases and becomes geographically distributed, the control systems are no longer local to the system. This means that communication networks must be enhanced to support multiple devices that must communicate reliably. A common solution to these new systems is to use wide area networks for the communication network, as opposed to point-to-point communication. Although the wide area network will support a large number of devices, it generally comes with a compromise in the form of latency in the communication system. Now the device controller has latency injected into the feedback loop of the system. Also, renewable energy sources are largely non-dispatchable generation. That is, they are never guaranteed to be online and supplying the demanded energy. As renewable generation is typically modeled as stochastic process, it would useful to include this behavior in the control system algorithms. The combination of communication latency and stochastic sources are compounded by the dynamics of the grid itself. Loads are constantly changing, as well as the sources; this can sometimes lead to a quick change in system states. There is a need for a metric to be able to take into consideration all of the factors detailed above; it needs to be able to take into consideration the amount of information that is available in the system and the rate that the information is losing its value. In a dynamic system, the information is only valid for a length of time, and the controller must be able to take into account the decay of currently held information. This thesis will present the information theory metrics in a way that is useful for application to dynamic energy systems. A test case involving synchronization of several generators is presented for analysis and application of the theory. The objective is to synchronize all the generators and connect them to a common bus. As the phase shift of each generator is a random process, the effects of latency and information decay can be directly observed. The results of the experiments clearly show that the expected outcomes are observed and that entropy and information theory is a valid metric for timing requirement extraction.

  12. Game-theoretic characterization of the Gurarii space

    Czech Academy of Sciences Publication Activity Database

    Kubiś, Wieslaw

    2018-01-01

    Roč. 110, č. 1 (2018), s. 53-59 ISSN 0003-889X R&D Projects: GA ČR(CZ) GA17-27844S Institutional support: RVO:67985840 Keywords : normed space * Banach–Mazur game * Gurarii space Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics Impact factor: 0.591, year: 2016 https://link.springer.com/article/10.1007%2Fs00013-017-1088-2

  13. Game-theoretic characterization of the Gurarii space

    Czech Academy of Sciences Publication Activity Database

    Kubiś, Wieslaw

    2018-01-01

    Roč. 110, č. 1 (2018), s. 53-59 ISSN 0003-889X R&D Projects: GA ČR(CZ) GA17-27844S Institutional support: RVO:67985840 Keywords : normed space * Banach–Mazur game * Gurarii space Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics Impact factor: 0.591, year: 2016 https://link.springer.com/ article /10.1007%2Fs00013-017-1088-2

  14. Theoretical characterization of electron energy distribution function in RF plasmas

    International Nuclear Information System (INIS)

    Capitelli, M.; Capriati, G.; Dilonardo, M.; Gorse, C.; Longo, S.

    1993-01-01

    Different methods for the modeling of low-temperature plasmas of both technological and fundamental interest are discussed. The main concept of all these models is the electron energy distribution function (eedf) which is necessary to calculate the rate coefficients for any chemical reaction involving electrons. Results of eedf calculations in homogeneous SF 6 and SiH 4 plasmas are discussed based on solution of the time-dependent Boltzmann equation. The space-dependent eedf in an RF discharge in He is calculated taking into account the sheath oscillations by a Monte Carlo model assuming the plasma heating mechanism and the electric field determined by using a fluid model. The need to take into account the ambipolar diffusion of electrons in RF discharge modeling is stressed. A self-consistent model based on coupling the equations of the fluid model and the chemical kinetics ones is presented. (orig.)

  15. Department of Theoretical Physics - Overview

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    2002-01-01

    Full text: Research activity of the Department of Theoretical Physics concerns theoretical high energy and elementary particle physics, intermediate energy particle physics, theoretical nuclear physics, theory of nuclear matter, theory of quark-gluon plasma and of relativistic heavy ion collisions, theoretical astrophysics and general physics. There is some emphasis on the phenomenological applications of the theoretical research yet the more formal problems are also considered. The detailed summary of the research projects and of the results obtained in various fields is given in the abstracts. Our Department successfully collaborates with other Departments of the Institute as well as with several scientific institutions both in Poland and abroad. In particular, members of our Department participate in the EC network which allows for the mobility of researchers. Several members of our Department have also participated in the research projects funded by the State Committee for Scientific Research. Besides pure research, members of our Department are also involved in graduate and undergraduate teaching activity both at our Institute and at other academic institutions in Cracow. At present, eight students are working towards their Ph.D. degrees under the supervision of senior members of the Department. (author)

  16. Department of Theoretical Physics - Overview

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    2000-01-01

    Full text: Research activity of the Department of Theoretical Physics concerns theoretical high-energy and elementary particle physics, intermediate energy particle physics, theoretical nuclear physics, theory of nuclear matter, theory of quark-gluon plasma and of relativistic heavy-ion collisions, theoretical astrophysics and general physics. There is some emphasis on the phenomenological applications of the theoretical research, yet the more formal problems are also considered. The detailed summary of the research projects and of the results obtained in various fields is given in the abstracts. Our Department actively collaborates with other Departments of the Institute as well as with several scientific institutions both in Poland and abroad. In particular members of our Department participate in the EC network which allows mobility of researchers. Several members of our Department have also participated in the research projects funded by the Polish Committee for Scientific Research (KBN). The complete list of grants is listed separately. Besides pure research, members of our Department are also involved in graduate and undergraduate teaching activity both at our Institute as well as at other academic institutions in Cracow. At present five students are working for their Ph.D. or MSc degrees under supervision of the senior members from the Department. We continue our participation at the EC SOCRATES-ERASMUS educational programme which allows exchange of graduate students between our Department and the Department of Physics of the University of Durham in the UK. (author)

  17. Department of Theoretical Physics - Overview

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    2001-01-01

    Full text: Research activity of the Department of Theoretical Physics concerns theoretical high-energy and elementary particle physics, intermediate energy particle physics, theoretical nuclear physics, theory of nuclear matter, theory of quark-gluon plasma and relativistic heavy-ion collisions, theoretical astrophysics and general physics. There is some emphasis on the phenomenological applications of the theoretical research yet more formal problems are also considered. A detailed summary of the research projects and of the results obtained in various field is given in the abstracts. Our Department actively collaborates with other Departments of the Institute as well as with several scientific institutions both in Poland and abroad. In particular, members of our Department participate in the EC network, which stimulates the mobility of researchers. Several members of our Department also participated in the research projects funded by the Polish Committee for Scientific Research (KBN). Besides pure research, members of our Department are also involved in graduate and up graduate teaching activity at our Institute as well as at other academic institution in Cracow. At present nine students are working on their Ph.D. degrees under the supervision of senior members of the Department. (author)

  18. Theoretical behaviorism meets embodied cognition : Two theoretical analyses of behavior

    NARCIS (Netherlands)

    Keijzer, F.A.

    2005-01-01

    This paper aims to do three things: First, to provide a review of John Staddon's book Adaptive dynamics: The theoretical analysis of behavior. Second, to compare Staddon's behaviorist view with current ideas on embodied cognition. Third, to use this comparison to explicate some outlines for a

  19. Theoretical mechanics for sixth forms

    CERN Document Server

    Plumpton, C

    1971-01-01

    Theoretical Mechanics for Sixth Forms, Second Edition is a 14-chapter book that begins by elucidating the nature of theoretical mechanics. The book then describes the statics of a particle in illustration of the techniques of handling vector quantities. Subsequent chapters focus on the principle of moments, parallel forces and centers of gravity; and the application of Newton's second law to the dynamics of a particle and the ideas of work and energy, impulse and momentum, and power. The concept of friction is also explained. This volume concludes with chapters concerning motion in a circle an

  20. Mechanics lectures on theoretical physics

    CERN Document Server

    Sommerfeld, Arnold Johannes Wilhelm

    1952-01-01

    Mechanics: Lectures on Theoretical Physics, Volume I covers a general course on theoretical physics. The book discusses the mechanics of a particle; the mechanics of systems; the principle of virtual work; and d'alembert's principle. The text also describes oscillation problems; the kinematics, statics, and dynamics of a rigid body; the theory of relative motion; and the integral variational principles of mechanics. Lagrange's equations for generalized coordinates and the theory of Hamilton are also considered. Physicists, mathematicians, and students taking Physics courses will find the book

  1. Theoretical Framework for Robustness Evaluation

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard

    2011-01-01

    This paper presents a theoretical framework for evaluation of robustness of structural systems, incl. bridges and buildings. Typically modern structural design codes require that ‘the consequence of damages to structures should not be disproportional to the causes of the damages’. However, although...... the importance of robustness for structural design is widely recognized the code requirements are not specified in detail, which makes the practical use difficult. This paper describes a theoretical and risk based framework to form the basis for quantification of robustness and for pre-normative guidelines...

  2. Theoretical Consolidation of Acoustic Dissipation

    Science.gov (United States)

    Casiano, M. J.; Zoladz, T. F.

    2012-01-01

    In many engineering problems, the effects of dissipation can be extremely important. Dissipation can be represented by several parameters depending on the context and the models that are used. Some examples of dissipation-related parameters are damping ratio, viscosity, resistance, absorption coefficients, pressure drop, or damping rate. This Technical Memorandum (TM) describes the theoretical consolidation of the classic absorption coefficients with several other dissipation parameters including linearized resistance. The primary goal of this TM is to theoretically consolidate the linearized resistance with the absorption coefficient. As a secondary goal, other dissipation relationships are presented.

  3. THEORETICAL FOUNDATIONS EFFICIENT MASS VALUATION

    Directory of Open Access Journals (Sweden)

    Koshel A.

    2016-08-01

    Full Text Available In the article the theoretical basis for determining the effectiveness of mass valuation of land in present-day conditions are described. The concept defenitsy effect and effectiveness as economic categories and their classification values for mass valuation of land are presented. The effectiveness of mass valuation of land in the settlements defines the structure of local budget and economic activities undertaken by local authorities on the basis of the results of the mass appraisal of real estate. Mass valuation is regular and it is characterized by high degree of standardization of procedures and a significant increase in the role of statistical methods for processing data related to the use of the most significant factors influencing the parameters of the object to its cost, as well as the need to determine the value of the objective laws change equivalent, which is only possible when using economic and mathematical methods and statistical analysis. Quality control results of mass valuation carried out principally in other ways, as obtained by applying statistical machine results can be checked as soon statistical methods. This shows the relevance of research topic and lack of elaboration for Ukraine problems of efficiency of mass land valuation. Scientific research conducted through the use of the dialectical method and techniques of abstraction, comparative analysis and synthesis, the article various models and methods of valuation of land for taxation purposes are analyzed. In addition, the group explored methods used, comparisons, and more. In economic theory and practice problems and determine the effect of efficiency aimed at profit is quite relevant. Economists consider cost-effectiveness, such as economic efficiency. In this case, the production can be attributed to the activities to conduct and organization of mass valuation of land. This pushes many different positions on criteria and indicators of economic efficiency, the

  4. Data, Methods, and Theoretical Implications

    Science.gov (United States)

    Hannagan, Rebecca J.; Schneider, Monica C.; Greenlee, Jill S.

    2012-01-01

    Within the subfields of political psychology and the study of gender, the introduction of new data collection efforts, methodologies, and theoretical approaches are transforming our understandings of these two fields and the places at which they intersect. In this article we present an overview of the research that was presented at a National…

  5. Theoretical analysis of rolled joints

    International Nuclear Information System (INIS)

    Sinha, R.K.

    1975-01-01

    A procedure for theoretically analysing the case of an externally restrained sandwich joint formed by a hypothetical uniform hydrostatic expansion process is outlined. Reference is made to a computer program based on this theory. Results illustrating the effect of major joint variables on residual contact pressure are presented and analysed. The applicability and limitations of this theory are discussed. (author)

  6. Theoretical Framework for Robustness Evaluation

    DEFF Research Database (Denmark)

    Sørensen, John Dalsgaard

    2011-01-01

    This paper presents a theoretical framework for evaluation of robustness of structural systems, incl. bridges and buildings. Typically modern structural design codes require that ‘the consequence of damages to structures should not be disproportional to the causes of the damages’. However, althou...

  7. Supercomputer requirements for theoretical chemistry

    International Nuclear Information System (INIS)

    Walker, R.B.; Hay, P.J.; Galbraith, H.W.

    1980-01-01

    Many problems important to the theoretical chemist would, if implemented in their full complexity, strain the capabilities of today's most powerful computers. Several such problems are now being implemented on the CRAY-1 computer at Los Alamos. Examples of these problems are taken from the fields of molecular electronic structure calculations, quantum reactive scattering calculations, and quantum optics. 12 figures

  8. Theoretical models of DNA flexibility

    Czech Academy of Sciences Publication Activity Database

    Dršata, Tomáš; Lankaš, Filip

    2013-01-01

    Roč. 3, č. 4 (2013), s. 355-363 ISSN 1759-0876 Institutional support: RVO:61388963 Keywords : molecular dynamics simulations * base pair level * indirect readout Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 9.041, year: 2013

  9. Infantilism: Theoretical Construct and Operationalization

    Science.gov (United States)

    Sabelnikova, Y. V.; Khmeleva, N. L.

    2018-01-01

    The aim of this article is to define and operationalize the construct of infantilism. The methods of theoretical research involve analysis and synthesis. Age and content criteria are analyzed for childhood and adulthood. Infantile traits in an adult are described. Results: The characteristics of adult infantilism in the modern world are defined,…

  10. Lightning Talks 2015: Theoretical Division

    Energy Technology Data Exchange (ETDEWEB)

    Shlachter, Jack S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-11-25

    This document is a compilation of slides from a number of student presentations given to LANL Theoretical Division members. The subjects cover the range of activities of the Division, including plasma physics, environmental issues, materials research, bacterial resistance to antibiotics, and computational methods.

  11. Theoretical Approaches to Lignin Chemistry

    OpenAIRE

    Shevchenko, Sergey M.

    1994-01-01

    A critical review is presented of the applications of theoretical methods to the studies of the structure and chemical reactivity of lignin, including simulation of macromolecular properties, conformational calculations, quantum chemical analyses of electronic structure, spectra and chemical reactivity. Modern concepts of spatial organization and chemical reactivity of lignins are discussed.

  12. Theoretical foundations for collaboration engineering

    NARCIS (Netherlands)

    Kolfschoten, G.L.

    2007-01-01

    Collaboration is often presented as the solution to numerous problems in business and society. However, collaboration is challenging, and collaboration support is not an off-the-shelf-product. This research offers theoretical foundations for Collaboration Engineering. Collaboration Engineering is an

  13. Tau decays: A theoretical perspective

    International Nuclear Information System (INIS)

    Marciano, W.J.

    1992-11-01

    Theoretical predictions for various tau decay rates are reviewed. Effects of electroweak radiative corrections are described. Implications for precision tests of the standard model and ''new physics'' searches are discussed. A perspective on the tau decay puzzle and 1-prong problem is given

  14. Theoretical Approaches to Political Communication.

    Science.gov (United States)

    Chesebro, James W.

    Political communication appears to be emerging as a theoretical and methodological academic area of research within both speech-communication and political science. Five complimentary approaches to political science (Machiavellian, iconic, ritualistic, confirmational, and dramatistic) may be viewed as a series of variations which emphasize the…

  15. Department of Theoretical Physics - Overview

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    1999-01-01

    Full text: Research activity of the Department of Theoretical Physics concerns theoretical high-energy and elementary particle physics, intermediate energy particle physics, theoretical nuclear physics, theory of nuclear matter, theory of quark-gluon plasma and of relativistic heavy-ion collisions, theoretical astrophysics and general physics. There is some emphasis on the phenomenological applications of the theoretical research yet the more formal problems are also considered. The detailed summary of the research projects and of the results obtained in various fields is given in the abstracts. Our Department actively collaborates with other Departments of the Institute as well as with several scientific institutions both in Poland and abroad. In particular members of our Department participate in the EC network which allows mobility of researchers. Several members of our Department have also participated in the research projects funded by the Polish Committee for Scientific Research (KBN). The complete list of grants is listed separately. Besides pure research, members of our Department are also involved in graduate and undergraduate teaching activity both at our Institute as well as at other academic institutions in Cracow. At present five PhD students are working for their degree under supervision of the senior members from the Department. In the last year we have completed our active participation in the educational TEMPUS programme funded by the European Communities. This programme has in particular allowed exchange of students between our Department and the Department of Physics of the University of Durham in the United Kingdom. In 1998 we joined the SOCRATES - ERASMUS project which will make it possible to continue this exchange. (author)

  16. Theoretical issues in Spheromak research

    International Nuclear Information System (INIS)

    Cohen, R. H.; Hooper, E.B.; LoDestro, L.L.; Mattor, N.; Pearlstein, L.D.; Ryutov, D.D.

    1997-01-01

    This report summarizes the state of theoretical knowledge of several physics issues important to the spheromak. It was prepared as part of the preparation for the Sustained Spheromak Physics Experiment (SSPX), which addresses these goals: energy confinement and the physics which determines it; the physics of transition from a short-pulsed experiment, in which the equilibrium and stability are determined by a conducting wall (''''flux conserver'''') to one in which the equilibrium is supported by external coils. Physics is examined in this report in four important areas. The status of present theoretical understanding is reviewed, physics which needs to be addressed more fully is identified, and tools which are available or require more development are described. Specifically, the topics include: MHD equilibrium and design, review of MHD stability, spheromak dynamo, and edge plasma in spheromaks

  17. Theoretical Provision of Tax Transformation

    Directory of Open Access Journals (Sweden)

    Feofanova Iryna V.

    2016-05-01

    Full Text Available The article is aimed at defining the questions, giving answers to which is necessary for scientific substantiation of the tax transformation in Ukraine. The article analyzes the structural-logical relationships of the theories, providing substantiation of tax systems and transformation of them. Various views on the level of both the tax burden and the distribution of the tax burden between big and small business have been systematized. The issues that require theoretical substantiation when choosing a model of tax system have been identified. It is determined that shares of both indirect and direct taxes and their rates can be substantiated by calculations on the basis of statistical data. The results of the presented research can be used to develop the algorithm for theoretical substantiation of tax transformation

  18. A course in theoretical physics

    CERN Document Server

    Shepherd, P J

    2013-01-01

    This book is a comprehensive account of five extended modules covering the key branches of twentieth-century theoretical physics, taught by the author over a period of three decades to students on bachelor and master university degree courses in both physics and theoretical physics. The modules cover nonrelativistic quantum mechanics, thermal and statistical physics, many-body theory, classical field theory (including special relativity and electromagnetism), and, finally, relativistic quantum mechanics and gauge theories of quark and lepton interactions, all presented in a single, self-contained volume. In a number of universities, much of the material covered (for example, on Einstein’s general theory of relativity, on the BCS theory of superconductivity, and on the Standard Model, including the theory underlying the prediction of the Higgs boson) is taught in postgraduate courses to beginning PhD students. A distinctive feature of the book is that full, step-by-step mathematical proofs of all essentia...

  19. Quantum mechanics the theoretical minimum

    CERN Document Server

    Susskind, Leonard

    2014-01-01

    From the bestselling author of The Theoretical Minimum, an accessible introduction to the math and science of quantum mechanicsQuantum Mechanics is a (second) book for anyone who wants to learn how to think like a physicist. In this follow-up to the bestselling The Theoretical Minimum, physicist Leonard Susskind and data engineer Art Friedman offer a first course in the theory and associated mathematics of the strange world of quantum mechanics. Quantum Mechanics presents Susskind and Friedman’s crystal-clear explanations of the principles of quantum states, uncertainty and time dependence, entanglement, and particle and wave states, among other topics. An accessible but rigorous introduction to a famously difficult topic, Quantum Mechanics provides a tool kit for amateur scientists to learn physics at their own pace.

  20. Theoretical Fundamentals of Human Factor

    OpenAIRE

    Nicoleta Maria Ienciu

    2012-01-01

    The purpose of this paper is to identify the theoretical approaches presented by the literature on the human factor. In order to achieve such objective we have performed a qualitative research by analyzing the content of several papers published in internationally renowned journals, classified according to the list of journals' ranking provided by the Association of Business Schools (UK), in relation to the theories that have been approached within it. Our findings suggest that from all ident...

  1. Theoretical Foundations of Active Learning

    Science.gov (United States)

    2009-05-01

    I study the informational complexity of active learning in a statistical learning theory framework. Specifically, I derive bounds on the rates of...convergence achievable by active learning , under various noise models and under general conditions on the hypothesis class. I also study the theoretical...advantages of active learning over passive learning, and develop procedures for transforming passive learning algorithms into active learning algorithms

  2. Theoretical value of psychological testing.

    Science.gov (United States)

    Shapiro, David

    2012-01-01

    Apart from their diagnostic value, psychological tests, especially the Rorschach test, have an important theoretical value for understanding psychopathology. They present a picture of a living person, in contrast to a picture of forces and agencies within the person. This rests on 2 advantages of tests over the usual psychiatric and psychoanalytic interviews: Tests are ahistorical and they present information primarily of a formal kind.

  3. Psychotherapy Integration via Theoretical Unification

    Directory of Open Access Journals (Sweden)

    Warren W. Tryon

    2017-01-01

    Full Text Available Meaningful psychotherapy integration requires theoretical unification because psychotherapists can only be expected to treat patients with the same diagnoses similarly if they understand these disorders similarly and if they agree on the mechanisms by which effective treatments work. Tryon (in press has proposed a transtheoretic transdiagnostic psychotherapy based on an Applied Psychological Science (APS clinical orientation, founded on a BioPsychology Network explanatory system that provides sufficient theoretical unification to support meaningful psychotherapy integration. That proposal focused mainly on making a neuroscience argument. This article makes a different argument for theoretical unification and consequently psychotherapy integration. The strength of theories of psychotherapy, like all theory, is to focus on certain topics, goals, and methods. But this strength is also a weakness because it can blind one to alternative perspectives and thereby promote unnecessary competition among therapies. This article provides a broader perspective based on learning and memory that is consistent with the behavioral, cognitive, cognitive-behavioral, psychodynamic, pharmacologic, and Existential/Humanistic/Experiential clinical orientations. It thereby provides a basis for meaningful psychotherapy integration.

  4. Anticipatory Cognitive Systems: a Theoretical Model

    Science.gov (United States)

    Terenzi, Graziano

    This paper deals with the problem of understanding anticipation in biological and cognitive systems. It is argued that a physical theory can be considered as biologically plausible only if it incorporates the ability to describe systems which exhibit anticipatory behaviors. The paper introduces a cognitive level description of anticipation and provides a simple theoretical characterization of anticipatory systems on this level. Specifically, a simple model of a formal anticipatory neuron and a model (i.e. the τ-mirror architecture) of an anticipatory neural network which is based on the former are introduced and discussed. The basic feature of this architecture is that a part of the network learns to represent the behavior of the other part over time, thus constructing an implicit model of its own functioning. As a consequence, the network is capable of self-representation; anticipation, on a oscopic level, is nothing but a consequence of anticipation on a microscopic level. Some learning algorithms are also discussed together with related experimental tasks and possible integrations. The outcome of the paper is a formal characterization of anticipation in cognitive systems which aims at being incorporated in a comprehensive and more general physical theory.

  5. Characterization of Revenue Equivalence

    NARCIS (Netherlands)

    Heydenreich, Birgit; Müller, Rudolf; Uetz, Marc Jochen; Vohra, Rakesh

    2008-01-01

    The property of an allocation rule to be implementable in dominant strategies by a unique payment scheme is called \\emph{revenue equivalence}. In this paper we give a characterization of revenue equivalence based on a graph theoretic interpretation of the incentive compatibility constraints. The

  6. INFANTILISM: THEORETICAL CONSTRUCT AND OPERATIONALIZATION

    Directory of Open Access Journals (Sweden)

    Yelena V. Sabelnikova

    2016-01-01

    Full Text Available The aim of the presented research is to define and operationalize theoretically the concept of infantilism and its construct. The content of theoretical construct «infantilism» is analyzed. Methods. The methods of theoretical research involve analysis and synthesis. The age and content criteria are analysed in the context of childhood and adulthood. The traits which can be interpreted as adult infantile traits are described. Results. The characteristics of adult infantilism in modern world taking into account the increasing of information flows and socio-economic changes are defined. The definition of the concept «infantilism» including its main features is given. Infantilism is defined as the personal organization including features and models of the previous age period not adequate for the real age stage with emphasis on immaturity of the emotional and volitional sphere. Scientific novelty. The main psychological characteristics of adulthood are described as the reflection, requirement to work and professional activity, existence of professional self-determination, possession of labor skills, need for selfrealization, maturity of the emotional and volitional sphere. As objective adulthood characteristics are considered the following: transition to economic and territorial independence of a parental family, and also development of new social roles, such as a worker, spouse, and parent. Two options of a possible operationalization of concept are allocated: objective (existence / absence in real human life of objective criteria of adulthood and subjective (the self-report on subjective feeling of existence / lack of psychological characteristics of adulthood. Practical significance consists in a construct operationalization of «infantilism» which at the moment has so many interpretations. That operationalization is necessary for the further analysis and carrying out various researches. 

  7. Qualitative methods in theoretical physics

    CERN Document Server

    Maslov, Dmitrii

    2018-01-01

    This book comprises a set of tools which allow researchers and students to arrive at a qualitatively correct answer without undertaking lengthy calculations. In general, Qualitative Methods in Theoretical Physics is about combining approximate mathematical methods with fundamental principles of physics: conservation laws and symmetries. Readers will learn how to simplify problems, how to estimate results, and how to apply symmetry arguments and conduct dimensional analysis. A comprehensive problem set is included. The book will appeal to a wide range of students and researchers.

  8. Interconnection policy: a theoretical survey

    Directory of Open Access Journals (Sweden)

    César Mattos

    2003-01-01

    Full Text Available This article surveys the theoretical foundations of interconnection policy. The requirement of an interconnection policy should not be taken for granted in all circumstances, even considering the issue of network externalities. On the other hand, when it is required, an encompassing interconnection policy is usually justified. We provide an overview of the theory on interconnection pricing that results in several different prescriptions depending on which problem the regulator aims to address. We also present a survey on the literature on two-way interconnection.

  9. Machine learning a theoretical approach

    CERN Document Server

    Natarajan, Balas K

    2014-01-01

    This is the first comprehensive introduction to computational learning theory. The author's uniform presentation of fundamental results and their applications offers AI researchers a theoretical perspective on the problems they study. The book presents tools for the analysis of probabilistic models of learning, tools that crisply classify what is and is not efficiently learnable. After a general introduction to Valiant's PAC paradigm and the important notion of the Vapnik-Chervonenkis dimension, the author explores specific topics such as finite automata and neural networks. The presentation

  10. THEORETICAL CONCEPTIONS OF GEOGRAPHY TEACHERS

    Directory of Open Access Journals (Sweden)

    Eloy Montes Galbán

    2007-11-01

    Full Text Available The main goal of this research was to determine the current theoretical concepts handled by third stage basic education geography teachers. A non experimental descriptive study was made. Data was collected through a semi structured questionnaire. The population was conformed by the teachers who work at the National schools placed in the parishes Raul Leoni and Cacique Mara of Maracaibo city, Zulia State. There is not clarity in regard to the correct handling of the different geographic currents, and the slight notion teachers have leans towards a traditional, descriptive, retrospective memory based conception.

  11. Theoretical studies of combustion dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Bowman, J.M. [Emory Univ., Atlanta, GA (United States)

    1993-12-01

    The basic objectives of this research program are to develop and apply theoretical techniques to fundamental dynamical processes of importance in gas-phase combustion. There are two major areas currently supported by this grant. One is reactive scattering of diatom-diatom systems, and the other is the dynamics of complex formation and decay based on L{sup 2} methods. In all of these studies, the authors focus on systems that are of interest experimentally, and for which potential energy surfaces based, at least in part, on ab initio calculations are available.

  12. Research in theoretical nuclear physics

    International Nuclear Information System (INIS)

    Udagawa, T.

    1993-11-01

    This report describes the accomplishments in basic research in nuclear physics carried out by the theoretical nuclear physics group in the Department of Physics at the University of Texas at Austin, during the period of November 1, 1992 to October 31, 1993. The work done covers three separate areas, low-energy nuclear reactions, intermediate energy physics, and nuclear structure studies. Although the subjects are thus spread among different areas, they are based on two techniques developed in previous years. These techniques are a powerful method for continuum-random-phase-approximation (CRPA) calculations of nuclear response and the breakup-fusion (BF) approach to incomplete fusion reactions, which calculation on a single footing of various incomplete fusion reaction cross sections within the framework of direct reaction theories. The approach was developed as a part of a more general program for establishing an approach to describing all different types of nuclear reactions, i.e., complete fusion, incomplete fusion and direct reactions, in a systematic way based on single theoretical framework

  13. Theoretical perspectives on strange physics

    International Nuclear Information System (INIS)

    Ellis, J.

    1983-04-01

    Kaons are heavy enough to have an interesting range of decay modes available to them, and light enough to be produced in sufficient numbers to explore rare modes with satisfying statistics. Kaons and their decays have provided at least two major breakthroughs in our knowledge of fundamental physics. They have revealed to us CP violation, and their lack of flavor-changing neutral interactions warned us to expect charm. In addition, K 0 -anti K 0 mixing has provided us with one of our most elegant and sensitive laboratories for testing quantum mechanics. There is every reason to expect that future generations of kaon experiments with intense sources would add further to our knowledge of fundamental physics. This talk attempts to set future kaon experiments in a general theoretical context, and indicate how they may bear upon fundamental theoretical issues. A survey of different experiments which would be done with an Intense Medium Energy Source of Strangeness, including rare K decays, probes of the nature of CP isolation, μ decays, hyperon decays and neutrino physics is given

  14. Theoretical perspectives on narrative inquiry.

    Science.gov (United States)

    Emden, C

    1998-04-01

    Narrative inquiry is gaining momentum in the field of nursing. As a research approach it does not have any single heritage of methodology and its practitioners draw upon diverse sources of influence. Central to all narrative inquiry however, is attention to the potential of stories to give meaning to people's lives, and the treatment of data as stories. This is the first of two papers on the topic and addresses the theoretical influences upon a particular narrative inquiry into nursing scholars and scholarship. The second paper, Conducting a narrative analysis, describes the actual narrative analysis as it was conducted in this same study. Together, the papers provide sufficient detail for others wishing to pursue a similar approach to do so, or to develop the ideas and procedures according to their own way of thinking. Within this first theoretical paper, perspectives from Jerome Bruner (1987) and Wade Roof (1993) are outlined. These relate especially to the notion of stories as 'imaginative constructions' and as 'cultural narratives' and as such, highlight the profound importance of stories as being individually and culturally meaningful. As well, perspectives on narrative inquiry from nursing literature are highlighted. Narrative inquiry in this instance lies within the broader context of phenomenology.

  15. Theoretical physics 8 statistical physics

    CERN Document Server

    Nolting, Wolfgang

    2018-01-01

    This textbook offers a clear and comprehensive introduction to statistical physics, one of the core components of advanced undergraduate physics courses. It follows on naturally from the previous volumes in this series, using methods of probability theory and statistics to solve physical problems. The first part of the book gives a detailed overview on classical statistical physics and introduces all mathematical tools needed. The second part of the book covers topics related to quantized states, gives a thorough introduction to quantum statistics, followed by a concise treatment of quantum gases. Ideally suited to undergraduate students with some grounding in quantum mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successf...

  16. Theoretical physics 1 classical mechanics

    CERN Document Server

    Nolting, Wolfgang

    2016-01-01

    This textbook offers a clear and comprehensive introduction to classical mechanics, one of the core components of undergraduate physics courses. The book starts with a thorough introduction to the mathematical tools needed, to make this textbook self-contained for learning. The second part of the book introduces the mechanics of the free mass point and details conservation principles. The third part expands the previous to mechanics of many particle systems. Finally the mechanics of the rigid body is illustrated with rotational forces, inertia and gyroscope movement. Ideally suited to undergraduate students in their first year, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this series...

  17. Theoretical nuclear and subnuclear physics

    CERN Document Server

    Walecka, John Dirk

    1995-01-01

    This comprehensive text expertly details the numerous theoretical techniques central to the discipline of nuclear physics. It is based on lecture notes from a three-lecture series given at CEBAF (the Continuous Electron Beam Accelerator Facility), where John Dirk Walecka at the time was Scientific Director: "Graduate Quantum Mechanics", "Advanced Quantum Mechanics and Field Theory" and "Special Topics in Nuclear Physics". The primary goal of this text is pedagogical; providing a clear, logical, in-depth, and unifying treatment of many diverse aspects of modern nuclear theory ranging from the non-relativistic many-body problem to the standard model of the strong, electromagnetic, and weak interactions. Four key topics are emphasised in this text: basic nuclear structure, the relativistic nuclear many-body problem, strong-coupling QCD, and electroweak interactions with nuclei. The text is designed to provide graduate students with a basic level of understanding of modern nuclear physics so that they in turn can...

  18. Einstein's impact on theoretical physics

    International Nuclear Information System (INIS)

    Yang, C.N.

    1983-01-01

    There occurred in the early years of this century three conceptual revolutions that profoundly changed Man's understanding of the physical universe: the special theory of relativity (in 1905), the general theory of relativity (1915) and quantum mechanics (1925). Einstein personally was responsible for the first two of these revolutions, and influenced and helped to shape the third. But it is not about his work in these conceptual revolutions that he writes about here. Much has been written about that work already. Instead, he discusses, in general terms, Einstein's insights on the structure of theoretical physics and their relevance to the development of physics in the second half of this century. He divides the discussion into four sections which are, of course, very much related

  19. 'Impulsar': Experimental and Theoretical Investigations

    International Nuclear Information System (INIS)

    Apollonov, V. V.

    2008-01-01

    The Objective of the 'Impulsar' project is to accomplish a circle of experimental, engineering and technological works on creation of a high efficiency laser rocket engine. The project includes many organizations of the rocket industry and Academy of Sciences of Russia. High repetition rate pulse-periodic CO 2 laser system project for launching will be presented. Optical system for 15 MW laser energy delivery and optical matrix of laser engine receiver will by discussed as well. Basic characteristics of the laser-based engine will be compared with theoretical predictions and important stages of further technology implementation (low frequency resonance). Relying on a wide cooperation of different branches of science and industry organizations it is very possible to use the accumulated potential for launching of nano-vehicles during the upcoming 4-5 years

  20. Theoretical Physics Division progress report

    International Nuclear Information System (INIS)

    1989-01-01

    The research areas covered in this report are solid state and quantum physics, theoretical metallurgy, fuel modelling and reactor materials, statistical physics and the theory of fluids. Attention is drawn to a number of items: (i) the application of theories of aerosol behaviour to the interpretation of conditions in the cover-gas space of a fast reactor; (ii) studies in non-linear dynamics, dynamical instabilities and chaotic behaviour covering for example, fluid behaviour in Taylor-Couette experiments, non-linear behaviour in electronic circuits and reaction-diffusion systems; (iii) the development of finite element computational techniques to describe the periodic behaviour of a system after a Hopf bifurcation and in simulating solidification processes; (iv) safety assessment of disposal concepts for low- and intermediate-level radioactive wastes. (U.K.)

  1. Strongly Correlated Systems Theoretical Methods

    CERN Document Server

    Avella, Adolfo

    2012-01-01

    The volume presents, for the very first time, an exhaustive collection of those modern theoretical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciates consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as po...

  2. Theoretical information reuse and integration

    CERN Document Server

    Rubin, Stuart

    2016-01-01

    Information Reuse and Integration addresses the efficient extension and creation of knowledge through the exploitation of Kolmogorov complexity in the extraction and application of domain symmetry. Knowledge, which seems to be novel, can more often than not be recast as the image of a sequence of transformations, which yield symmetric knowledge. When the size of those transformations and/or the length of that sequence of transforms exceeds the size of the image, then that image is said to be novel or random. It may also be that the new knowledge is random in that no such sequence of transforms, which produces it exists, or is at least known. The nine chapters comprising this volume incorporate symmetry, reuse, and integration as overt operational procedures or as operations built into the formal representations of data and operators employed. Either way, the aforementioned theoretical underpinnings of information reuse and integration are supported.

  3. THEORETICAL ASPECTS OF FILMMUSIC STUDY

    Directory of Open Access Journals (Sweden)

    Egorova Tatiana K.

    2014-04-01

    Full Text Available In this article, author analyzes the theoretical aspects of the film music study taking into account with modern realities in the development of world film-process and attempts to its scientific understanding. Need for innovation in this area is long overdue, because the existing on this topic nonfiction no longer meets the new aesthetic and art-practical achievements and innovations in the film music development at the XXI century. Related to the phenomenon of music in screen arts a number of new terms and concepts require a certain adjustment as well. Their range of action is not yet fully defined. Author of the article offered her version of their content-semantic interpretation (largely experimental designed to promote new research methods for the film music study.

  4. Plasmon holographic experiments: theoretical framework

    International Nuclear Information System (INIS)

    Verbeeck, J.; Dyck, D. van; Lichte, H.; Potapov, P.; Schattschneider, P.

    2005-01-01

    A theoretical framework is described to understand the results of plasmon holography experiments leading to insight in the meaning of the experimental results and pointing out directions for future experiments. The framework is based on the formalism of mutual intensity to describe how coherence is transferred through an optical system. For the inelastic interaction with the object, an expression for the volume plasmon excitations in a free electron gas is used as a model for the behaviour of aluminium. The formalism leads to a clear graphical intuitive tool for understanding the experiments. It becomes evident that the measured coherence is solely related to the angular distribution of the plasmon scattering in the case of bulk plasmons. After describing the framework, the special case of coherence outside a spherical particle is treated and the seemingly controversial idea of a plasmon with a limited coherence length obtained from experiments is clarified

  5. Theoretical Perspectives on Sibling Relationships

    Science.gov (United States)

    Whiteman, Shawn D.; McHale, Susan M.; Soli, Anna

    2011-01-01

    Although siblings are a fixture of family life, research on sibling relationships lags behind that on other family relationships. To stimulate interest in sibling research and to serve as a guide for future investigations by family scholars, we review four theoretical psychologically oriented perspectives—(a) psychoanalytic-evolutionary, (b) social psychological, (c) social learning, and (d) family-ecological systems—that can inform research on sibling relationships, including perspectives on the nature and influences on developmental, individual, and group differences in sibling relationships. Given that most research on siblings has focused on childhood and adolescence, our review highlights these developmental periods, but we also incorporate the limited research on adult sibling relationships, including in formulating suggestions for future research on this fundamental family relationship. PMID:21731581

  6. ENTREPRENEURIAL LEADERSHIP: A THEORETICAL FRAMEWORK

    Directory of Open Access Journals (Sweden)

    Yusuf ESMER

    2017-12-01

    Full Text Available Today, having just leadership or entrepreneurship qualities by business managers is not enough for success of enterprises. Managers need to have both leadership and entrepreneurship qualities in order to be successful. At this point, the concept of entrepreneurial leadership emerges. Entrepreneurial leadership is a new and modern type of leadership that is a combination of leadership qualities and spirit of entrepreneurship. In addition, entrepreneurial leadership is creating new products, new processes and expansion opportunities in existing businesses, working in social institutions and dealing with ignored social issues, participating in social and political movements, contributing to the change of current services and policies implemented by civil society organizations and governments. In recent times, entrepreneurial leadership has become a new phenomenon in business management that needs to be discussed. In this regard, in this study, the importance of entrepreneurial leadership is emphasized by examining the concept of entrepreneurial leadership within a theoretical framework.

  7. Theoretical microbial ecology without species

    Science.gov (United States)

    Tikhonov, Mikhail

    2017-09-01

    Ecosystems are commonly conceptualized as networks of interacting species. However, partitioning natural diversity of organisms into discrete units is notoriously problematic and mounting experimental evidence raises the intriguing question whether this perspective is appropriate for the microbial world. Here an alternative formalism is proposed that does not require postulating the existence of species as fundamental ecological variables and provides a naturally hierarchical description of community dynamics. This formalism allows approaching the species problem from the opposite direction. While the classical models treat a world of imperfectly clustered organism types as a perturbation around well-clustered species, the presented approach allows gradually adding structure to a fully disordered background. The relevance of this theoretical construct for describing highly diverse natural ecosystems is discussed.

  8. Arnhajm's 'visual thinking': Theoretical (nonfoundation

    Directory of Open Access Journals (Sweden)

    Todorović Milorad V.

    2012-01-01

    Full Text Available In psychology, as in other sciences, surely there are concepts that are not theoretically based and are not consistently thought trough. One of these concepts that has found a significant place in the understanding of artistic creativity and psychology of art overall is Arnheim's term: 'visual perception'. It can be said, as Arnheim does, that any perception is thinking at the same time, all reasoning is also intuition, each observation invention, provided that this approach can be deduced from a psychological theory. Starting from Gestalt psychology that seems to be impossible. Understandably, Arnheim, as Gestalt psychologist, with this term wanted to point out that the whole is different than the sum of its parts. 'A visual thinking' was supposed to add something more to the perceptual experience, a property that the perception does not have. Since Gestalt psychology is not based on the psychic apparatus and deferred system, with different functions and especially those unconscious, it is difficult to talk about the theoretical grounding of this notion. Only after postulating these moments Arnheim could elaborate his view that the process of observing the world is interaction between the properties that certain object provides and observers nature. That 'nature of the observer' can only be viewed within the psychic apparatus. In the creativity (art and science, where it aims to be a basic explanatory principle, 'visual perception' is faced with difficulties such as statements from Goetea and Helmholtz, that what is important and new in their creation was given as a free forethought, and that their knowledge came as something almost complete.

  9. The probabilistic innovation theoretical framework

    Directory of Open Access Journals (Sweden)

    Chris W. Callaghan

    2017-07-01

    Full Text Available Background: Despite technological advances that offer new opportunities for solving societal problems in real time, knowledge management theory development has largely not kept pace with these developments. This article seeks to offer useful insights into how more effective theory development in this area could be enabled. Aim: This article suggests different streams of literature for inclusion into a theoretical framework for an emerging stream of research, termed ‘probabilistic innovation’, which seeks to develop a system of real-time research capability. The objective of this research is therefore to provide a synthesis of a range of diverse literatures, and to provide useful insights into how research enabled by crowdsourced research and development can potentially be used to address serious knowledge problems in real time. Setting: This research suggests that knowledge management theory can provide an anchor for a new stream of research contributing to the development of real-time knowledge problem solving. Methods: This conceptual article seeks to re-conceptualise the problem of real-time research and locate this knowledge problem in relation to a host of rapidly developing streams of literature. In doing so, a novel perspective of societal problem-solving is enabled. Results: An analysis of theory and literature suggests that certain rapidly developing streams of literature might more effectively contribute to societally important real-time research problem solving if these steams are united under a theoretical framework with this goal as its explicit focus. Conclusion: Although the goal of real-time research is as yet not attainable, research that contributes to its attainment may ultimately make an important contribution to society.

  10. Game theoretic considerations for Kenyan health governance ...

    African Journals Online (AJOL)

    Game theoretic considerations for Kenyan health governance. ... theoretic considerations in their practice in order to achieve market-driven competition ... Key words: Game theory, social capital, good governance, health policy, health systems.

  11. Science Academies' Refresher Course on Theoretical Structural ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 22; Issue 8. Science Academies' Refresher Course on Theoretical Structural Geology, Crystallography, Mineralogy, Thermodynamics, Experimental Petrology and Theoretical Geophysics. Information and Announcements Volume 22 Issue 8 August 2017 ...

  12. Hash functions and information theoretic security

    DEFF Research Database (Denmark)

    Bagheri, Nasoor; Knudsen, Lars Ramkilde; Naderi, Majid

    2009-01-01

    Information theoretic security is an important security notion in cryptography as it provides a true lower bound for attack complexities. However, in practice attacks often have a higher cost than the information theoretic bound. In this paper we study the relationship between information theoretic...

  13. Theoretical Physics. Lectures presented at the Seminar on Theoretical Physics

    International Nuclear Information System (INIS)

    1963-01-01

    The seminar on Theoretical Physics was held in Trieste, Italy, from 16 July to 25 of August 1962 and was organized by the International Atomic Energy Agency. The published proceedings of the lectures consist of five books. Book I is concerned with quantum field theory in its axiomatic as well as lagrangian formulations. Part 1 is a survey by Wightman of the recent achievements of the axiomatic approach followed by an account from Wigner of some of the less known representations of the Lorentz Group (continuous spin and imaginary mass representations) which may possibly acquire relevance in connection with theories of Regge poles. Part two of Book I consists of Schwinger’s lectures on the structure of Gauge Theories of Vector Particles and an account of his recent ideas about gauge invariance and its connection with mass. Book II is devoted to the symmetry properties of elementary particles with an experimental review by Capps and a survey of the formalism of Lie groups by Salam. A number of contributions by Gatto, Sakurai and others specialize to particular Lie groups, exploring the possibility of testing which, if any, of the higher symmetries are in fact realized in nature. Book III is concerned with complex angular momenta and Mandelstam representation, with major lecture courses from Regge, Fubini, Mandelstam and Froissart. A shorter Book IV surveys some recent dynamical investigations of πN and NN Systems as well as compound models of elementary particles (Thirring). The concluding part of this volume (Book V) is different in spirit from the rest. Its concern is with the emerging topic of very high energies, with a survey of strong interactions from Hayakawa, of electromagnetic interactions from Ericsson and others and of weak interactions at very high energies from Pais.

  14. Theoretical Physics. Lectures presented at the Seminar on Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1963-01-15

    The seminar on Theoretical Physics was held in Trieste, Italy, from 16 July to 25 of August 1962 and was organized by the International Atomic Energy Agency. The published proceedings of the lectures consist of five books. Book I is concerned with quantum field theory in its axiomatic as well as lagrangian formulations. Part 1 is a survey by Wightman of the recent achievements of the axiomatic approach followed by an account from Wigner of some of the less known representations of the Lorentz Group (continuous spin and imaginary mass representations) which may possibly acquire relevance in connection with theories of Regge poles. Part two of Book I consists of Schwinger’s lectures on the structure of Gauge Theories of Vector Particles and an account of his recent ideas about gauge invariance and its connection with mass. Book II is devoted to the symmetry properties of elementary particles with an experimental review by Capps and a survey of the formalism of Lie groups by Salam. A number of contributions by Gatto, Sakurai and others specialize to particular Lie groups, exploring the possibility of testing which, if any, of the higher symmetries are in fact realized in nature. Book III is concerned with complex angular momenta and Mandelstam representation, with major lecture courses from Regge, Fubini, Mandelstam and Froissart. A shorter Book IV surveys some recent dynamical investigations of πN and NN Systems as well as compound models of elementary particles (Thirring). The concluding part of this volume (Book V) is different in spirit from the rest. Its concern is with the emerging topic of very high energies, with a survey of strong interactions from Hayakawa, of electromagnetic interactions from Ericsson and others and of weak interactions at very high energies from Pais.

  15. Theoretical studies of molecular interactions

    Energy Technology Data Exchange (ETDEWEB)

    Lester, W.A. Jr. [Univ. of California, Berkeley (United States)

    1993-12-01

    This research program is directed at extending fundamental knowledge of atoms and molecules including their electronic structure, mutual interaction, collision dynamics, and interaction with radiation. The approach combines the use of ab initio methods--Hartree-Fock (HF) multiconfiguration HF, configuration interaction, and the recently developed quantum Monte Carlo (MC)--to describe electronic structure, intermolecular interactions, and other properties, with various methods of characterizing inelastic and reaction collision processes, and photodissociation dynamics. Present activity is focused on the development and application of the QMC method, surface catalyzed reactions, and reorientation cross sections.

  16. Studies in theoretical particle physics

    International Nuclear Information System (INIS)

    Kaplan, D.B.

    1991-01-01

    This proposal focuses on research on three distinct areas of particle physics: (1) Nonperturbative QCD. I tend to continue work on analytic modelling of nonperturbative effects in the strong interactions. I have been investigating the theoretical connection between the nonrelativistic quark model and QCD. The primary motivation has been to understand the experimental observation of nonzero matrix elements involving current strange quarks in ordinary matter -- which in the quark model has no strange quark component. This has led to my present work on understanding constituent (quark model) quarks as collective excitations of QCD degrees of freedom. (2) Weak Scale Baryogenesis. A continuation of work on baryogenesis in the early universe from weak interactions. In particular, an investigation of baryogenesis occurring during the weak phase transition through anomalous baryon violating processes in the standard model of weak interactions. (3) Flavor and Compositeness. Further investigation of a new mechanism that I recently discovered for dynamical mass generation for fermions, which naturally leads to a family hierarchy structure. A discussion of recent past work is found in the next section, followed by an outline of the proposed research. A recent publication from each of these three areas is attached to this proposal

  17. Climate Change: a Theoretical Review

    Directory of Open Access Journals (Sweden)

    Muhammad Ishaq-ur Rahman

    2013-01-01

    Full Text Available Climate Change has been undoubtedly the most illustrious environmental issue since late 20th century. But neither the discourse merely emerged during that time, nor it was problematized in the same way since its onset. History of Climate Change discourse reveals that from a purely scientific concern it has turned into a public agenda that is nowadays more inclined to be development problem. Transformations have brought about a complete new paradigm every time. This article presents a theoretical analysis of the Climate Change discourse and to do so it captured the underlying philosophy of the issue using Thomas Kuhn’s well-known thesis of ‘paradigm shift’. In particular it discusses about the crisis that lead the issue towards transformations; explores key perspectives around the crisis thus representation of the issue in the environmental discourse over the time. While this paper establishes that with the beginning of the 21st century, the discourse entered into a new paradigm and will reach to a critical point by the end of 2012, it finally postulates some measures that the discourse might integrate with the existing to advance beyond that point.

  18. THEORETICAL ASPECTS OF SCHOOL TEXTBOOK

    Directory of Open Access Journals (Sweden)

    Sveriene, Audrone

    2006-12-01

    Full Text Available School textbook is an important part of general education. Some theoretical works were written on school textbook theory. The question about textbook concept, structure and functions wasunder the dispute a long time in Lithuania and abroad.The main purpose of this article is to analyse and summarize the experience of researchers school textbook theory from Lithuania and foreign countries. The tasks of article are to determineconcept of textbook, describe the structure and the functions of the textbook. Famous scientists in this field are D. Zujev (Russia, P. Weinbrenner, F. Pingel (Germany, J. Mikk (Estonia, E. B. Johnsen (Norway, A. Choppin (France, F. M. Gerard and X. Roegiers Belgium, R. Bamberger (Austria. There are many interpretations of textbook concept, and different suggestions what is a textbook. In Lithuania the textbook concept was discussed with some specialists of Educational Development Centre and the Ministry of Education and Science. The Requirements on textbook development were approved in Lithuania only in 2003. According to the research litterature, the main aspect of the textbook is to meet the requirements of curriculum. The textbook consists of text, paratext and illustrations. All these parts of the textbook play many functions in education. The main function of the textbook is to motivate students. Other important functions of the textbook are: information, systematisation, coordination, differentiation, guidance education, learning strategy, value education, aesthetical.

  19. Laser induced fusion - theoretical aspects

    International Nuclear Information System (INIS)

    Lawande, S.V.; Gunye, M.R.

    1979-01-01

    The theoretical aspects of thermonuclear fusion induced by laser are discussed. After outlining the basic features and the energetics of laser fusion in the chapter 1, various non-linear mechanisms responsible for an enhanced absorption of laser energy into the plasma and the stimulated scattering processes which hinder the absorption are discussed in the second chapter on laser plasma interactions. The third chapter on gas dynamics and the shock phenomena presents the mathematical formulation of the compression to high densities of the core of the pellet for its implosion. A hydrodynamic model developed to stimulate the evolution of laser heated symmetric plasma is outlined in the chapter four on numerichigly relativistic noninteracting particles, regular bouncing states may occur at high densities, or at high temperatures. The latter case is considered in details for the collapse phase of a hot universe; lepton pair creation may completely decelerate the collapse of a hot hadronic plasma, provided the observational parameters, the Hubble constant Hsub(deg), the matter parameter Ωsub(deg) and the deceleration parameter qsub(deg) satisfy certain constraint conditions

  20. Theoretical Approaches to Nuclear Proliferation

    Directory of Open Access Journals (Sweden)

    Konstantin S. Tarasov

    2015-01-01

    Full Text Available This article analyses discussions between representatives of three schools in the theory of international relations - realism, liberalism and constructivism - on the driving factors of nuclear proliferation. The paper examines major theoretical approaches, outlined in the studies of Russian and foreign scientists, to the causes of nuclear weapons development, while unveiling their advantages and limitations. Much of the article has been devoted to alternative approaches, particularly, the role of mathematical modeling in assessing proliferation risks. The analysis also reveals a variety of different approaches to nuclear weapons acquisition, as well as the absence of a comprehensive proliferation theory. Based on the research results the study uncovers major factors both favoring and impeding nuclear proliferation. The author shows that the lack of consensus between realists, liberals and constructivists on the nature of proliferation led a number of scientists to an attempt to explain nuclear rationale by drawing from the insights of more than one school in the theory of IR. Detailed study of the proliferation puzzle contributes to a greater understating of contemporary international realities, helps to identify mechanisms that are most likely to deter states from obtaining nuclear weapons and is of the outmost importance in predicting short- and long-term security environment. Furthermore, analysis of the existing scientific literature on nuclear proliferation helps to determine future research agenda of the subject at hand.

  1. Cyclotron tubes - a theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Mourier, G

    1980-12-01

    The introduction presents a general discussion of electron cyclotron masers (ECM): resonance, relativistic effects, elementary quantum aspects, the classical relativistic bunching and the optimum value of the electric field. The practical structure - in particular that of the gyrotron - is specified only insofar as it is useful for understanding the following chapters. The main parameters are discussed. Section 2 develops a nonlinear adiabatic or orbital theory of electron motion which alleviates calculations considerably while keeping numerical errors low enough for many practical cases. Its results are compared to a rigorous integration in one case. Other cases show the importance of the electric field profile inside the resonant cavity. Section 3 is devoted to space charge phenomena, and, for the most part, to a linear theory with space charge. In its limited range of validity (low-energy electrons), the theory indicates a strong impact of space charge for low a.c. fields and exhibits a pure beam instability. Section 4 is devoted to circuit equations with emphasis on the special features of cavities consisting of a long waveguide near cutoff. The conclusion indicates some trends of gyrotron development and corresponding theoretical problems.

  2. Theoretical investigations on plasma centrifuges

    International Nuclear Information System (INIS)

    Hong, S.H.

    1978-01-01

    The theoretical analysis of the steady-state dynamics of plasma centrifuges is dealt with to understand the physics of rotating plasmas and their feasibility for isotope separation. The centrifuge systems under consideration employ cylindrical gas discharge chambers with externally-applied axial magnetic fields. The cathode and anode are symmetric about the cylinder axis and arranged in such a way for each system, i.e., (1) two ring electrodes of different radii in the chamber end plates or (2) two ring electrodes embedded in the mantle of the cylinder. They produce converging and/or diverging current density field lines, which intersect the external magnetic field under a nonvanishing angle. The associated Lorentz forces set the plasma, which is produced through an electrical discharge, into rotation around the cylinder axis. Three boundary-value problems for the coupled partial differential equations of the centrifuge fields are formulated, respectively, on the basis of the magnetogasdynamic equations. The electric field, electrostatic potential, current density, induced magnetic field, and velocity distributions are discussed in terms of the Hartmann number, the Hall coefficient, and the magnetic Reynolds number. The plasma centrifuge analyses presented show that the speeds of plasma rotation up to the order of 10 4 m/sec are achievable at typical conditions. The associated centrifugal forces produce a significant spatial isotope separation, which is somewhat reduced in the viscous boundary layers at the centrifuge walls. The speeds of plasma rotation increase with increasing Hartmann number and Hall coefficient. For small Hall coefficient, the induced azimuthal magnetic field does not affect the plasma rotation. For large volumes of rotating isotope mixtures, a multidischarge centrifuge can be constructed by setting up a large number of centrifuge systems in series

  3. Theoretical aspects of fracture mechanics

    Science.gov (United States)

    Atkinson, C.; Craster, R. V.

    1995-03-01

    In this review we try to cover various topics in fracture mechanics in which mathematical analysis can be used both to aid numerical methods and cast light on key features of the stress field. The dominant singular near crack tip stress field can often be parametrized in terms of three parameters K(sub I), K(sub II) and K(sub III) designating three fracture modes each having an angular variation entirely specified for the stress tensor and displacement vector. These results and contact zone models for removing the interpenetration anomaly are described. Generalizations of the above results to viscoelastic media are described. For homogeneous media with constant Poisson's ratio the angular variation of singular crack tip stresses and displacements are shown to be the same for all time and the same inverse square root singularity as occurs in the elastic medium case is found (this being true for a time varying Poisson ratio too). Only the stress intensity factor varies through time dependence of loads and relaxation properties of the medium. For cracks against bimaterial interfaces both the stress singularity and angular form evolve with time as a function of the time dependent properties of the bimaterial. Similar behavior is identified for sharp notches in viscoelastic plates. The near crack tip behavior in material with non-linear stress strain laws is also identified and stress singularities classified in terms of the hardening exponent for power law hardening materials. Again for interface cracks the near crack tip behavior requires careful analysis and it is shown that more than one singular term may be present in the near crack tip stress field. A variety of theory and applications is presented for inhomogeneous elastic media, coupled thermoelasticity etc. Methods based on reciprocal theorems and dual functions which can also aid in getting awkward singular stress behavior from numerical solutions are also reviewed. Finally theoretical calculations of fiber

  4. FINANCIAL STABILITY - A THEORETICAL APPROACH

    Directory of Open Access Journals (Sweden)

    Maria Vasilescu

    2012-03-01

    Full Text Available Central banks have become poles of stability and decisive factors of globalization. Financialstability represents a national issue, a public asset, that requires both an intervention of public judicious authoritiesand their cooperation with private sector. Given the integration of financial markets during the last decades in bothdeveloped and developing countries, as direct result of globalization, liberalization and deregulation processes, andthe high degree of innovation they felt over time, a shift in market participants’ perceptions on the importance ofstable financial systems in economic growth arose. The global context characterized by the interdependence ofmarkets and institutions, emergence of new techniques and instruments, increasing international capital flowsstressed the new meanings of the analysis of financial stability.

  5. SOCIOLOGICAL UNDERSTANDING OF INTERNET: THEORETICAL APPROACHES TO THE NETWORK ANALYSIS

    Directory of Open Access Journals (Sweden)

    D. E. Dobrinskaya

    2016-01-01

    Full Text Available The network is an efficient way of social structure analysis for contemporary sociologists. It gives broad opportunities for detailed and fruitful research of different patterns of ties and social relations by quantitative analytical methods and visualization of network models. The network metaphor is used as the most representative tool for description of a new type of society. This new type is characterized by flexibility, decentralization and individualization. Network organizational form became the dominant form in modern societies. The network is also used as a mode of inquiry. Actually three theoretical network approaches in the Internet research case are the most relevant: social network analysis, “network society” theory and actor-network theory. Every theoretical approach has got its own notion of network. Their special methodological and theoretical features contribute to the Internet studies in different ways. The article represents a brief overview of these network approaches. This overview demonstrates the absence of a unified semantic space of the notion of “network” category. This fact, in turn, points out the need for detailed analysis of these approaches to reveal their theoretical and empirical possibilities in application to the Internet studies. 

  6. Resistance and Renewal in Theoretical Psychology

    DEFF Research Database (Denmark)

    psychology, resistance and renewal, form the overall theme for a selection of theoretical papers that is framed — in this iteration of the International Society for Theoretical Psychology's (ISTP) proceedings — by reflections on the 30 year history of the ISTP as well as by considerations of the future....... The diversity and creativity of the work undertaken within theoretical psychology is further exemplified by papers on the history of the ISTP and theoretical psychology, a new paradigm for functional disorders, experimental introspection and techniques of self, the performativity of psychological science......Theoretical psychologists continue to challenge psychology, related disciplines and the work of other theoretical psychologists through a wide variety of activities that include conceptual clarification and creative theorizing. In many cases, these activities are experienced by the relevant...

  7. Functional dependency of structures of ionic liquids: do substituents govern the selectivity of enzymatic glycerolysis?

    DEFF Research Database (Denmark)

    Guo, Zheng; Chen, Biqiang; Murillo, Rafael López

    2006-01-01

    hydrophobic substituents and hydrophilic ethoxyl or hydroxyl moieties is found, respectively, to be essential for triglycerides (TG) dissolving and equilibrium shifting. The reactions in the ILs with cations consisting of long chain and free hydroxyl groups gave markedly higher conversion of TG and better...

  8. Continuous glycerolysis in an immobilized enzyme packed reactor for industrial monoacylglycerol production

    DEFF Research Database (Denmark)

    . In spite of optimal reaction conditions a complex heterogeneous reactant mixture with a glycerol in oil emulsion occurs. Hence, the movement of material from phase to phase as well as through the catalyst pores becomes important since it can influence the performance of the immobilized enzyme reactor...... and sunflower oil dissolved in a binary tert-butanol:tert-pentanol medium. Practical design-related issues such as required reaction time, enzyme capacity, expansion of the enzyme during wetting, and the effect of different column length-to-diameter ratios, fluid velocities and particle sizes of the enzymes...

  9. Parameters and error of a theoretical model

    International Nuclear Information System (INIS)

    Moeller, P.; Nix, J.R.; Swiatecki, W.

    1986-09-01

    We propose a definition for the error of a theoretical model of the type whose parameters are determined from adjustment to experimental data. By applying a standard statistical method, the maximum-likelihoodlmethod, we derive expressions for both the parameters of the theoretical model and its error. We investigate the derived equations by solving them for simulated experimental and theoretical quantities generated by use of random number generators. 2 refs., 4 tabs

  10. Methodology, theoretical framework and scholarly significance: An ...

    African Journals Online (AJOL)

    Methodology, theoretical framework and scholarly significance: An overview ... AFRICAN JOURNALS ONLINE (AJOL) · Journals · Advanced Search ... Keywords: Legal Research, Methodology, Theory, Pedagogy, Legal Training, Scholarship ...

  11. THEORETICAL AND IDEOLOGICAL ASPECTS OF THE GLOBAL WARMING DISCOURSE

    Directory of Open Access Journals (Sweden)

    Lucas Moreira Sales de Oliveira

    2016-12-01

    Full Text Available The global warming derived from human activities issue takes account today of a considerable part of individual and public attention in the political, economic, social and environmental scenario. The theoretical and ideological aspects of the environmental discourses involved are however often ignored. This paper aims to bring to light without attempting to exhaust the discussion on this subject (the ideology that involves interpretations of global climate change. To reach the objective it will be used de theoretical framework of ideology developed by Göhan Therborn (1991 applied to Six Degrees book by Mark Lynas (2009 and An inconvenient truth documentary by Al Gore (2006 analysis. Both works served as an example for the characterization of the point of view that blames human activities for global warming as ideological and how this ideology interpellates the individuals, in order to submit and qualify them.

  12. Light scattering by particles in water theoretical and experimental foundations

    CERN Document Server

    Jonasz, Miroslaw

    2007-01-01

    Light scattering-based methods are used to characterize small particles suspended in water in a wide range of disciplines ranging from oceanography, through medicine, to industry. The scope and accuracy of these methods steadily increases with the progress in light scattering research. This book focuses on the theoretical and experimental foundations of the study and modeling of light scattering by particles in water and critically evaluates the key constraints of light scattering models. It begins with a brief review of the relevant theoretical fundamentals of the interaction of light with condensed matter, followed by an extended discussion of the basic optical properties of pure water and seawater and the physical principles that explain them. The book continues with a discussion of key optical features of the pure water/seawater and the most common components of natural waters. In order to clarify and put in focus some of the basic physical principles and most important features of the experimental data o...

  13. Silicene: a review of recent experimental and theoretical investigations

    International Nuclear Information System (INIS)

    Houssa, M; Dimoulas, A; Molle, A

    2015-01-01

    Silicene is the silicon counterpart of graphene, i.e. it consists in a single layer of Si atoms with a hexagonal arrangement. We present a review of recent theoretical and experimental works on this novel two dimensional material. We discuss first the structural, electronic and vibrational properties of free-standing silicene, as predicted from first-principles calculations. We next review theoretical studies on the interaction of silicene with different substrates. The growth and experimental characterization of silicene on Ag(1 1 1) is next discussed, providing insights into the different phases or atomic arrangements of silicene observed on this metallic surface, as well as on its electronic structure. Recent experimental findings about the likely formation of hexagonal Si nanosheets on MoS2 are also highlighted. (topical review)

  14. Engineering graphics theoretical foundations of engineering geometry for design

    CERN Document Server

    Brailov, Aleksandr Yurievich

    2016-01-01

    This professional treatise on engineering graphics emphasizes engineering geometry as the theoretical foundation for communication of design ideas with real world structures and products. It considers each theoretical notion of engineering geometry as a complex solution of direct- and inverse-problems of descriptive geometry and each solution of basic engineering problems presented is accompanied by construction of biunique two- and three-dimension models of geometrical images. The book explains the universal structure of formal algorithms of the solutions of positional, metric, and axonometric problems, as well as the solutions of problems of construction in developing a curvilinear surface. The book further characterizes and explains the added laws of projective connections to facilitate construction of geometrical images in any of eight octants. Laws of projective connections allow constructing the complex drawing of a geometrical image in the American system of measurement and the European system of measu...

  15. Theoretical models for development competence of health protection and promotion

    Directory of Open Access Journals (Sweden)

    Cesnaviciene J.

    2014-01-01

    Full Text Available The competence of health protection and promotion are mentioned in various legislative documents that regulate areas of education and health policy. The researches on health conditions of Lithuania Country's population disclosed the deteriorating health status of the society, even of the children. It has also been found that the focus on health education is not adequate. The number of National and International health programmes have been realized and educational methodological tools prepared in Lithuania, however the insufficient attention to the health promotion models is been noticed. The objectiveof this article is to discuss the theoretical models used in health education field. The questions to be answered: what theoretical models are used in order to development competence of health protection and promotion? Who does employ particular models? What are the advantages of various models? What conceptions unite and characterize theoretical models? The analysis of scientific literature revealed the number of diverse health promotion model; however none of them is dominant. Some of the models focus on intrapersonal, others on interpersonal or community level but in general they can be distinguished as cognitive – behavioural models which are characterized by three main conceptions: 1 the healthy living is determined by the perceived health related knowledge: what is known and understood would influence the behaviour; 2 the knowledge in healthy living field is essential but insufficient condition for behaviour change; 3 the great influence to healthy living life style is done by perception, motivation, skills and habits as well as social environment. These are the components that are typical to all theoretical models and that reflect the hole of the conditions influencing healthy living.

  16. Science Academies' Refresher Course on Theoretical Structural ...

    Indian Academy of Sciences (India)

    A course on Theoretical Structural Geology, Crystallography, Mineralogy, Thermodynamics, Exper- imental Petrology and Theoretical Geophysics will be conducted in the Jallahalli Campus under the aegis of Indian Academy of Sciences during 20th November to 4th December, 2017. University lec- turers, Research ...

  17. Basic course in theoretical physics. Vol. 1

    International Nuclear Information System (INIS)

    Dietze, H.D.

    1973-01-01

    This book is the first volume of an edition of two volumes which concern theoretical physics. In this volume the mechanics of a point mass, electric and magnetic fields, and the mechanics of two point, masses, rig: 1 bodies, and deformable 50 lids are considered. This book is suited for students who want to get some fundamental knowledge of theoretical physics. (HSI)

  18. Some theoretical considerations about the importance of teaching spelling

    Directory of Open Access Journals (Sweden)

    Moraima Pérez Barrera

    2009-03-01

    Full Text Available This article presents some theoretical considerations about teaching orthography and its importance in new teacher ’s formation, so that the teaching of orthography is characterized by a centered approach, treating contents with a self centered goal and not integrated or contextualized; it is also given some teachers’ difficulties at the time of treating orthography, due to the lack of knowledge of the new aspects of the communicative approach, which leads to reflection, metacognition and self regulation to reach an excellent orthographic competence, which demands a creative teacher, able to develop the necessary designs centered on students’ needs.

  19. Mental illness from the perspective of theoretical neuroscience.

    Science.gov (United States)

    Thagard, Paul

    2008-01-01

    Theoretical neuroscience, which characterizes neural mechanisms using mathematical and computational models, is highly relevant to central problems in the philosophy of psychiatry. These models can help to solve the explanation problem of causally connecting neural processes with the behaviors and experiences found in mental illnesses. Such explanations will also be useful for generating better classifications and treatments of psychiatric disorders. The result should help to eliminate concerns that mental illnesses such as depression and schizophrenia are not objectively real. A philosophical approach to mental illness based on neuroscience need not neglect the inherently social and historical nature of mental phenomena.

  20. Ultrafast Gain Dynamics in Quantum Dot Amplifiers: Theoretical Analysis and Experimental Investigations

    DEFF Research Database (Denmark)

    Poel, Mike van der; Gehrig, Edeltraud; Hess, Ortwin

    2005-01-01

    Ultrafast gain dynamics in an optical amplifier with an active layer of self-organized quantum dots (QDs) emitting near 1.3$muhbox m$is characterized experimentally in a pump-probe experiment and modeled theoretically on the basis of QD Maxwell–Bloch equations. Experiment and theory are in good......$factor) is theoretically predicted and demonstrated in the experiments. The fundamental analysis reveals the underlying physical processes and indicates limitations to QD-based devices....

  1. The creation in question: a brief cartography of a theoretical course

    Directory of Open Access Journals (Sweden)

    Tais Rodrigues Dassoler

    2011-04-01

    Full Text Available This article is the result of discussions produced during a theoretical course aboutcreativity in advertising. Instead of teaching how to create, the proposal of the course was to question what characterizes creation. Departing from this question, the route of a theoretical cartography is presented, trough the deconstruction of the idea of creation, the advertising device is shown in its creative demands. Mobilizing different theoretical perspectives, the text approaches creativity’s myth when problematizes the concept of authorship and presents creation as becomings produced by the very advertising device.

  2. Determination of cognitive development: postnonclassical theoretical model

    Directory of Open Access Journals (Sweden)

    Irina N. Pogozhina

    2015-09-01

    Full Text Available The aim of this research is to develop a postnonclassical cognitive processes content determination model in which mental processes are considered as open selfdeveloping, self-organizing systems. Three types of systems (dynamic, statistical, developing were analysed and compared on the basis of the description of the external and internal characteristics of causation, types of causal chains (dependent, independent and their interactions, as well as the nature of the relationship between the elements of the system (hard, probabilistic, mixed. Mechanisms of open non-equilibrium nonlinear systems (dissipative and four dissipative structures emergence conditions are described. Determination models of mental and behaviour formation and development that were developed under various theoretical approaches (associationism, behaviorism, gestaltism, psychology of intelligence by Piaget, Vygotsky culture historical approach, activity approach and others are mapped on each other as the models that describe behaviour of the three system types mentioned above. The development models of the mental sphere are shown to be different by the following criteria: 1 allocated determinants amount; 2 presence or absence of the system own activity that results in selecting the model not only external, but also internal determinants; 3 types of causal chains (dependent-independent-blended; 4 types of relationships between the causal chain that ultimately determines the subsequent system determination type as decisive (a tough dynamic pattern or stochastic (statistical regularity. The continuity of postnonclassical, classical and non-classical models of mental development determination are described. The process of gradual refinement, complexity, «absorption» of the mental determination by the latter models is characterized. The human mental can be deemed as the functioning of the open developing non-equilibrium nonlinear system (dissipative. The mental sphere is

  3. Robust recognition via information theoretic learning

    CERN Document Server

    He, Ran; Yuan, Xiaotong; Wang, Liang

    2014-01-01

    This Springer Brief represents a comprehensive review of information theoretic methods for robust recognition. A variety of information theoretic methods have been proffered in the past decade, in a large variety of computer vision applications; this work brings them together, attempts to impart the theory, optimization and usage of information entropy.The?authors?resort to a new information theoretic concept, correntropy, as a robust measure and apply it to solve robust face recognition and object recognition problems. For computational efficiency,?the brief?introduces the additive and multip

  4. Toward a Theoretical Framework for Information Science

    Directory of Open Access Journals (Sweden)

    Amanda Spink

    2000-01-01

    Full Text Available Information Science is beginning to develop a theoretical framework for the modeling of users’ interactions with information retrieval (IR technologies within the more holistic context of human information behavior (Spink, 1998b. This paper addresses the following questions: (1 What is the nature of Information Science? and (2 What theoretical framework and model is most appropriate for Information Science? This paper proposes a theoretical framework for Information Science based on an explication of the processes of human information coordinating behavior and information feedback that facilitate the relationship between human information behavior and human interaction with information retrieval (IR technologies (Web, digital libraries, etc..

  5. International Conference on Theoretical and Computational Physics

    CERN Document Server

    2016-01-01

    Int'l Conference on Theoretical and Computational Physics (TCP 2016) will be held from August 24 to 26, 2016 in Xi'an, China. This Conference will cover issues on Theoretical and Computational Physics. It dedicates to creating a stage for exchanging the latest research results and sharing the advanced research methods. TCP 2016 will be an important platform for inspiring international and interdisciplinary exchange at the forefront of Theoretical and Computational Physics. The Conference will bring together researchers, engineers, technicians and academicians from all over the world, and we cordially invite you to take this opportunity to join us for academic exchange and visit the ancient city of Xi’an.

  6. Game theoretic approaches for spectrum redistribution

    CERN Document Server

    Wu, Fan

    2014-01-01

    This brief examines issues of spectrum allocation for the limited resources of radio spectrum. It uses a game-theoretic perspective, in which the nodes in the wireless network are rational and always pursue their own objectives. It provides a systematic study of the approaches that can guarantee the system's convergence at an equilibrium state, in which the system performance is optimal or sub-optimal. The author provides a short tutorial on game theory, explains game-theoretic channel allocation in clique and in multi-hop wireless networks and explores challenges in designing game-theoretic m

  7. Music Therapy for Posttraumatic Stress in Adults: A Theoretical Review

    Science.gov (United States)

    Landis-Shack, Nora; Heinz, Adrienne J.; Bonn-Miller, Marcel O.

    2017-01-01

    Music therapy has been employed as a therapeutic intervention to facilitate healing across a variety of clinical populations. There is theoretical and empirical evidence to suggest that individuals with trauma exposure and Posttraumatic Stress Disorder (PTSD), a condition characterized by enduring symptoms of distressing memory intrusions, avoidance, emotional disturbance, and hyperarousal, may derive benefits from music therapy. The current narrative review describes the practice of music therapy and presents a theoretically-informed assessment and model of music therapy as a tool for addressing symptoms of PTSD. The review also presents key empirical studies that support the theoretical assessment. Social, cognitive, and neurobiological mechanisms (e.g., community building, emotion regulation, increased pleasure, anxiety reduction) that promote music therapy’s efficacy as an adjunctive treatment for individuals with posttraumatic stress are discussed. It is concluded that music therapy may be a useful therapeutic tool to reduce symptoms and improve functioning among individuals with trauma exposure and PTSD, though more rigorous empirical study is required. In addition, music therapy may help foster resilience and engage individuals who struggle with stigma associated with seeking professional help. Practical recommendations for incorporating music therapy into clinical practice are offered along with several suggestions for future research. PMID:29290641

  8. Set-theoretic methods in control

    CERN Document Server

    Blanchini, Franco

    2015-01-01

    The second edition of this monograph describes the set-theoretic approach for the control and analysis of dynamic systems, both from a theoretical and practical standpoint.  This approach is linked to fundamental control problems, such as Lyapunov stability analysis and stabilization, optimal control, control under constraints, persistent disturbance rejection, and uncertain systems analysis and synthesis.  Completely self-contained, this book provides a solid foundation of mathematical techniques and applications, extensive references to the relevant literature, and numerous avenues for further theoretical study. All the material from the first edition has been updated to reflect the most recent developments in the field, and a new chapter on switching systems has been added.  Each chapter contains examples, case studies, and exercises to allow for a better understanding of theoretical concepts by practical application. The mathematical language is kept to the minimum level necessary for the adequate for...

  9. Eighteenth annual West Coast theoretical chemistry conference

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-05-01

    Abstracts are presented from the eighteenth annual west coast theoretical chemistry conference. Topics include molecular simulations; quasiclassical simulations of reactions; photodissociation reactions; molecular dynamics;interface studies; electronic structure; and semiclassical methods of reactive systems.

  10. Theoretical clarity is not “Manicheanism”

    DEFF Research Database (Denmark)

    Hjørland, Birger

    2011-01-01

    It is argued that in order to establish a new theoretical approach to information science it is necessary to express disagreement with some established views. The “social turn” in information science is not just exemplified in relation to the works of Marcia Bates but in relation to many different...... researchers in the field. Therefore it should not be taken personally, and the debate should focus on the substance. Marcia Bates has contributed considerably to information science. In spite of this some of her theoretical points of departure may be challenged. It is important to seek theoretical clarity...... and this may involve a degree of schematic confrontation that should not be confused with theoretical one-sidedness, “Manicheanism” or lack of respect....

  11. improving utilization of conceptual and theoretical framework

    African Journals Online (AJOL)

    DR. MRS. AKPABIO

    KEYWORDS: Conceptual, Framework, Nursing, Research, Theoretical. INTRODUCTION ... frameworks, define the concepts in the framework and apply them .... abstraction; clinical utility and perspective on the issues of interest. Thus, before ...

  12. Studies In Theoretical High Energy Particle Physics

    Energy Technology Data Exchange (ETDEWEB)

    Keung, Wai Yee [Univ. of Illinois, Chicago, IL (United States)

    2017-07-01

    This is a final technical report for grant no. DE-SC0007948 describing research activities in theoretical high energy physics at University of Illinois at Chicago for the whole grant period from July 1, 2012 to March 31, 2017.

  13. Set-Theoretic Approach to Maturity Models

    DEFF Research Database (Denmark)

    Lasrado, Lester Allan

    Despite being widely accepted and applied, maturity models in Information Systems (IS) have been criticized for the lack of theoretical grounding, methodological rigor, empirical validations, and ignorance of multiple and non-linear paths to maturity. This PhD thesis focuses on addressing...... these criticisms by incorporating recent developments in configuration theory, in particular application of set-theoretic approaches. The aim is to show the potential of employing a set-theoretic approach for maturity model research and empirically demonstrating equifinal paths to maturity. Specifically...... methodological guidelines consisting of detailed procedures to systematically apply set theoretic approaches for maturity model research and provides demonstrations of it application on three datasets. The thesis is a collection of six research papers that are written in a sequential manner. The first paper...

  14. Some theoretical aspects of electron and photon dosimetry

    International Nuclear Information System (INIS)

    Seltzer, S.M.; Hubbell, J.H.; Berger, M.J.

    1978-01-01

    The dosimetry standardization programme at the National Bureau of Standards (NBS) has a number of theoretical components. These include the compilation of standard cross-section data sets, the theoretical analysis of detector response to various radiations, the spectral and directional characterization of radiation sources, and the determination of absorbed-dose distributions in irradiated media. This paper describes recent results, with emphasis on photon and electron dosimetry. A discussion is given of some recent developments pertaining to photon attenuation coefficients and electron stopping powers. Response functions are presented for intrinsic germanium detectors (used to measure the output of diagnostic X-ray machines) and for sodium iodide detectors (used to measure the spectral characteristics of one of the NBS 60 Co irradiation facilities). As examples of source characterization, calculations are described pertaining to the passage of high-energy electron beams through foils. Consideration is given to thin foils used to spread the electron beam, and to thick foils used as bremsstrahlung converters. The results include the energy spectra and angular distributions of the transmitted electrons and emergent bremsstrahlung photons. An example of the calculation of absorbed-dose distributions is given for irradiation of a carbon phantom by a 60 Co gamma-ray beam. (author)

  15. Recent theoretical, neural, and clinical advances in sustained attention research.

    Science.gov (United States)

    Fortenbaugh, Francesca C; DeGutis, Joseph; Esterman, Michael

    2017-05-01

    Models of attention often distinguish among attention subtypes, with classic models separating orienting, switching, and sustaining functions. Compared with other forms of attention, the neurophysiological basis of sustaining attention has received far less notice, yet it is known that momentary failures of sustained attention can have far-ranging negative effects in healthy individuals, and lasting sustained attention deficits are pervasive in clinical populations. In recent years, however, there has been increased interest in characterizing moment-to-moment fluctuations in sustained attention, in addition to the overall vigilance decrement, and understanding how these neurocognitive systems change over the life span and across various clinical populations. The use of novel neuroimaging paradigms and statistical approaches has allowed for better characterization of the neural networks supporting sustained attention and has highlighted dynamic interactions within and across multiple distributed networks that predict behavioral performance. These advances have also provided potential biomarkers to identify individuals with sustained attention deficits. These findings have led to new theoretical models explaining why sustaining focused attention is a challenge for individuals and form the basis for the next generation of sustained attention research, which seeks to accurately diagnose and develop theoretically driven treatments for sustained attention deficits that affect a variety of clinical populations. © 2017 New York Academy of Sciences.

  16. Recent theoretical, neural, and clinical advances in sustained attention research

    Science.gov (United States)

    Fortenbaugh, Francesca C.; DeGutis, Joseph; Esterman, Michael

    2017-01-01

    Models of attention often distinguish between attention subtypes, with classic models separating orienting, switching, and sustaining functions. Compared to other forms of attention, the neurophysiological basis of sustaining attention has received far less attention yet it is known that momentary failures of sustained attention can have far ranging negative impacts in healthy individuals and lasting sustained attention deficits are pervasive in clinical populations. In recent years, however, there has been increased interest in characterizing moment-to-moment fluctuations in sustained attention in addition to the overall vigilance decrement and understanding how these neurocognitive systems change over the lifespan and across various clinical populations. The use of novel neuroimaging paradigms and statistical approaches has allowed for better characterization of the neural networks supporting sustained attention, and highlighted dynamic interactions within and across multiple distributed networks that predict behavioral performance. These advances have also provided potential biomarkers to identify individuals with sustained attention deficits. These findings have led to new theoretical models of why sustaining focused attention is a challenge for individuals and form the basis for the next generation of sustained attention research, which seeks to accurately diagnose and develop theoretically-driven treatments for sustained attention deficits that affect a variety of clinical populations. PMID:28260249

  17. Department of Theoretical Physics. Annual report 1991

    International Nuclear Information System (INIS)

    1992-01-01

    The research done at the Department of Theoretical Physics of the H. Niewodniczanski Institute of Nuclear Physics concerns various theoretical problems of low, medium and high energy nuclear physics, elementary particle physics, astrophysics, general physics and mathematical physics. Both formal problems as well as more phenomenologically oriented ones are being considered. The details of the results obtained in various fields are summarised in the presented abstracts. (author)

  18. Comments on theoretical foundation of "EM Drive"

    Science.gov (United States)

    Wu, C.-W.

    2018-03-01

    The concept of EM Drive has attracted much attention and groups of work have been conducted to prove or verify it, of which the published experimental outcome is criticized in great details while the theoretical foundation has not been discussed. The present essay investigates on the theoretical derivations of the net thrust in the "EM drive" and reveals the self-contradiction arising at the very start, when the law of conservation of momentum was utilized and opposed simultaneously.

  19. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry

    1978-01-01

    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  20. Demystifying Theoretical Sampling in Grounded Theory Research

    Directory of Open Access Journals (Sweden)

    Jenna Breckenridge BSc(Hons,Ph.D.Candidate

    2009-06-01

    Full Text Available Theoretical sampling is a central tenet of classic grounded theory and is essential to the development and refinement of a theory that is ‘grounded’ in data. While many authors appear to share concurrent definitions of theoretical sampling, the ways in which the process is actually executed remain largely elusive and inconsistent. As such, employing and describing the theoretical sampling process can present a particular challenge to novice researchers embarking upon their first grounded theory study. This article has been written in response to the challenges faced by the first author whilst writing a grounded theory proposal. It is intended to clarify theoretical sampling for new grounded theory researchers, offering some insight into the practicalities of selecting and employing a theoretical sampling strategy. It demonstrates that the credibility of a theory cannot be dissociated from the process by which it has been generated and seeks to encourage and challenge researchers to approach theoretical sampling in a way that is apposite to the core principles of the classic grounded theory methodology.

  1. Synthesis, characterization, Hirshfeld surface and theoretical properties of (C.sub.7./sub.H.sub.10./sub.N).sub.4./sub.[H.sub.2./sub.P.sub.2./sub.Mo.sub.5./sub.O.sub.23./sub.]•H.sub.2./sub.O

    Czech Academy of Sciences Publication Activity Database

    Harchani, A.; Kučeráková, Monika; Dušek, Michal; Haddad, A.

    2017-01-01

    Roč. 8, Sep (2017), s. 1-9, č. článku 1361. ISSN 0974-3626 R&D Projects: GA ČR(CZ) GA15-12653S; GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : diphosphopentamolybdate * synthesis * crystal structure * physicochemical properties * theoretical study Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.235, year: 2016

  2. Overview. Department of Theoretical Physics. Section 4

    Energy Technology Data Exchange (ETDEWEB)

    Kwiecinski, J. [Institute of Nuclear Physics, Cracow (Poland)

    1995-12-31

    Research activity of the Department of the Theoretical Physics spans a wide variety of problems in theoretical high-energy and elementary particle physics, theoretical nuclear physics, theory of the nuclear matter, quark gluon plasma and relativistic heavy-ion collisions, theoretical astrophysics, as well as general physics. Theoretical research in high energy and elementary particle physics is concentrated on the theory of deep inelastic lepton scattering in the region of low x and its phenomenological implication for the ep collider HERA at DESY, on the theory of nonleptonic decays of hadrons, and on low energy {pi}{pi} and K-anti-K interactions and scalar meson spectroscopy. The activity in the theory of relativistic heavy-ion collisions is focused on the study of quark condensate fluctuations, on the analysis of critical scattering near the chiral phase transition, and on Bose-Einstein correlation in heavy-ion collisions. Theoretical studies in nuclear physics and in theory of nuclear matter concern analysis of models, with dynamical symmetry based on group S{sub p}(6,R) for the description of collective modes of atomic nuclei, analysis of the Goldstone bosons in nuclear matter and analysis of saturation properties of nuclear matter. Research in theoretical astrophysics is mainly devoted to the analysis of magnetic properties of hadronic matter in neutron stars with proton admixture. Studies in general physics concern problem related to the Galilean covariance of classical and quantum mechanics. The detailed results obtained in various fields are summarised in presented abstracts as well as information about employed personnel, publications, contribution to conferences, reports, workshops and seminars.

  3. Overview. Department of Theoretical Physics. Section 4

    Energy Technology Data Exchange (ETDEWEB)

    Kwiecinski, J [Institute of Nuclear Physics, Cracow (Poland)

    1996-12-31

    Research activity of the Department of the Theoretical Physics spans a wide variety of problems in theoretical high-energy and elementary particle physics, theoretical nuclear physics, theory of the nuclear matter, quark gluon plasma and relativistic heavy-ion collisions, theoretical astrophysics, as well as general physics. Theoretical research in high energy and elementary particle physics is concentrated on the theory of deep inelastic lepton scattering in the region of low x and its phenomenological implication for the ep collider HERA at DESY, on the theory of nonleptonic decays of hadrons, and on low energy {pi}{pi} and K-anti-K interactions and scalar meson spectroscopy. The activity in the theory of relativistic heavy-ion collisions is focused on the study of quark condensate fluctuations, on the analysis of critical scattering near the chiral phase transition, and on Bose-Einstein correlation in heavy-ion collisions. Theoretical studies in nuclear physics and in theory of nuclear matter concern analysis of models, with dynamical symmetry based on group S{sub p}(6,R) for the description of collective modes of atomic nuclei, analysis of the Goldstone bosons in nuclear matter and analysis of saturation properties of nuclear matter. Research in theoretical astrophysics is mainly devoted to the analysis of magnetic properties of hadronic matter in neutron stars with proton admixture. Studies in general physics concern problem related to the Galilean covariance of classical and quantum mechanics. The detailed results obtained in various fields are summarised in presented abstracts as well as information about employed personnel, publications, contribution to conferences, reports, workshops and seminars.

  4. Overview. Department of Theoretical Physics. Section 4

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    1995-01-01

    Research activity of the Department of the Theoretical Physics spans a wide variety of problems in theoretical high-energy and elementary particle physics, theoretical nuclear physics, theory of the nuclear matter, quark gluon plasma and relativistic heavy-ion collisions, theoretical astrophysics, as well as general physics. Theoretical research in high energy and elementary particle physics is concentrated on the theory of deep inelastic lepton scattering in the region of low x and its phenomenological implication for the ep collider HERA at DESY, on the theory of nonleptonic decays of hadrons, and on low energy ππ and K-anti-K interactions and scalar meson spectroscopy. The activity in the theory of relativistic heavy-ion collisions is focused on the study of quark condensate fluctuations, on the analysis of critical scattering near the chiral phase transition, and on Bose-Einstein correlation in heavy-ion collisions. Theoretical studies in nuclear physics and in theory of nuclear matter concern analysis of models, with dynamical symmetry based on group S p (6,R) for the description of collective modes of atomic nuclei, analysis of the Goldstone bosons in nuclear matter and analysis of saturation properties of nuclear matter. Research in theoretical astrophysics is mainly devoted to the analysis of magnetic properties of hadronic matter in neutron stars with proton admixture. Studies in general physics concern problem related to the Galilean covariance of classical and quantum mechanics. The detailed results obtained in various fields are summarised in presented abstracts as well as information about employed personnel, publications, contribution to conferences, reports, workshops and seminars

  5. Synthesis, spectroscopic characterization, theoretical study and anti-hepatic cancer activity study of 4-(1E,3Z,6E)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxohepta-1,3,6-trien-1-yl)-2-methoxyphenyl 4-nitrobenzoate, a novel curcumin congener

    Science.gov (United States)

    Srivastava, Sangeeta; Gupta, Preeti; Singh, Ranvijay Pratap; Jafri, Asif; Arshad, M.; Banerjee, Monisha

    2017-08-01

    In the present work 4-(1E,3Z,6E)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxohepta-1,3,6-trien-1-yl)-2-methoxyphenyl 4-nitrobenzoate (2), a novel curcumin ester was synthesized. The molecular structure and spectroscopic analysis were performed using experimental techniques like FT-IR, 1H,13C NMR, mass and UV-visible as well as theoretical calculations. The theoretical calculations were done by DFT level of theory using B3LYP/6-31G (d,p) basis set. The vibrational wavenumbers were calculated using DFT method and assigned with the help of potential energy distribution (PED). The electronic properties such as frontier orbitals and band gap energies have been calculated using time dependent density functional theory (TD-DFT). The strength and nature of weak intramolecular interactions have been studied by AIM approach. Global and local reactivity descriptors have been computed to predict reactivity and reactive sites in the molecule. First hyperpolarizability values have been calculated to describe the nonlinear optical (NLO) property of the synthesized compounds. Molecular electrostatic potential (MEP) analysis has also been carried out. The anti-hepatic cancer activity of compound 2 was also carried out.

  6. Modelling and characterization of colliding-pulse mode-locked (CPM) quantum well lasers. [MPS1

    DEFF Research Database (Denmark)

    Bischoff, Svend; Brorson, S.D.; Franck, T.

    1996-01-01

    A theoretical and experimental study of passive colliding pulse mode-locked quantum well lasers is presented. The theoretical model for the gain dynamics is based on semi-classical density matrixequations. The gain dynamics are characterized exp...

  7. Basic theoretical physics a concise overview

    CERN Document Server

    Krey, Uwe

    2007-01-01

    This concise treatment embraces, in four parts, all the main aspects of theoretical physics (I . Mechanics and Basic Relativity, II. Electrodynamics and Aspects of Optics, III. Non-relativistic Quantum Mechanics, IV. Thermodynamics and Statistical Physics). It summarizes the material that every graduate student, physicist working in industry, or physics teacher should master during his or her degree course. It thus serves both as an excellent revision and preparation tool, and as a convenient reference source, covering the whole of theoretical physics. It may also be successfully employed to deepen its readers' insight and add new dimensions to their understanding of these fundamental concepts. Recent topics such as holography and quantum cryptography are included, thus making this a unique contribution to the learning material for theoretical physics.

  8. THEORETICAL PRESSUPOSITIONS OF EDUCATION: SOME HISTORICAL REFLECTIONS

    Directory of Open Access Journals (Sweden)

    Rodrigo Regert

    2017-09-01

    Full Text Available Education has always been a much discussed theme and continues to be so. Based on this idea, the goal of this article is to discuss the theoretical pressupositions of education, beginning with the idea itself of human intellectual development and passing through the Ancient, Medieval, Modern and Contemporary Ages. It is important to point out that the article does not have the intention of covering the whole of this theme, nor even all of the theoretical pressupositions, which would be impossible. But it intends to begin or at least continue this discussion. For this the research made use of the descriptive method and its technical procedures took place in a bibliographic way. We conclude that it is important to discuss the theoretical pressupositions of education in history since, without this, it is not even possible to understand current education.

  9. SOME THEORETICAL ASPECTS OF ECONOMIC INTEGRATION

    Directory of Open Access Journals (Sweden)

    Alem Merdić

    2017-09-01

    Full Text Available One of the basic links of the process of globalization are economic integrations. The aim of this paper is to systematize theoretical achievements and to review the forms, effects and conditions for connecting countries motivated by economic benefits. In addition to the theoretical review of the conceptual definition of economic integration, the focus is on the levels of economic integration from the free-trade zone to the monetary and fiscal union, explaining the specificity of each of the mentioned levels. Considering that the connection between countries always raises the question of the benefits and costs of connection, the special emphasis in this paper is placed on the potential effects for free trade. Finally, the greatest contribution of this paper is the systematization and theoretical review of the theory of optimal currency area and monetary integration, which is especially significant for the European soil, taking into account the already established European Monetary Union

  10. An Order-Theoretic Quantification of Contextuality

    Directory of Open Access Journals (Sweden)

    Ian T. Durham

    2014-09-01

    Full Text Available In this essay, I develop order-theoretic notions of determinism and contextuality on domains and topoi. In the process, I develop a method for quantifying contextuality and show that the order-theoretic sense of contextuality is analogous to the sense embodied in the topos-theoretic statement of the Kochen–Specker theorem. Additionally, I argue that this leads to a relation between the entropy associated with measurements on quantum systems and the second law of thermodynamics. The idea that the second law has its origin in the ordering of quantum states and processes dates to at least 1958 and possibly earlier. The suggestion that the mechanism behind this relation is contextuality, is made here for the first time.

  11. Theoretical background and experimental measurements of human brain noise intensity in perception of ambiguous images

    International Nuclear Information System (INIS)

    Runnova, Anastasiya E.; Hramov, Alexander E.; Grubov, Vadim V.; Koronovskii, Alexey A.; Kurovskaya, Maria K.; Pisarchik, Alexander N.

    2016-01-01

    We propose a theoretical approach associated with an experimental technique to quantitatively characterize cognitive brain activity in the perception of ambiguous images. Based on the developed theoretical background and the obtained experimental data, we introduce the concept of effective noise intensity characterizing cognitive brain activity and propose the experimental technique for its measurement. The developed theory, using the methods of statistical physics, provides a solid experimentally approved basis for further understanding of brain functionality. The rather simple way to measure the proposed quantitative characteristic of the brain activity related to the interpretation of ambiguous images will hopefully become a powerful tool for physicists, physiologists and medics. Our theoretical and experimental findings are in excellent agreement with each other.

  12. Theoretical ecology as etiological from the start.

    Science.gov (United States)

    Donhauser, Justin

    2016-12-01

    The world's leading environmental advisory institutions look to ecological theory and research as an objective guide for policy and resource management decision-making. In addition to the theoretical and broadly philosophical merits of doing so, it is therefore practically significant to clear up confusions about ecology's conceptual foundations and to clarify the basic workings of inferential methods used in the science. Through discussion of key moments in the genesis of the theoretical branch of ecology, this essay elucidates a general heuristic role of teleological metaphors in ecological research and defuses certain enduring confusions about work in ecology. Copyright © 2016. Published by Elsevier Ltd.

  13. Theoretical isochrones with decreasing gravitational constant

    International Nuclear Information System (INIS)

    Vandenberg, D.A.

    1976-01-01

    Van Flandern has postulated a variation of the gravitational constant at the rate approximately -8 x 10 -11 /yr. This variation, consistent with Hoyle-Narlikar and Dirac cosmologies, has been assumed in the computation of a 5 x 10 9 yr theoretical isochrone. Present results show that, even for this age, theory predicts a cluster turn-off luminosity approximately 0.5 to 1.0 mag fainter than the observed turn-offs of globular clusters. Unsatisfactory agreement between theoretical and observed luminosity functions is also indicated. (author)

  14. Theoretical foundations of learning through simulation.

    Science.gov (United States)

    Zigmont, Jason J; Kappus, Liana J; Sudikoff, Stephanie N

    2011-04-01

    Health care simulation is a powerful educational tool to help facilitate learning for clinicians and change their practice to improve patient outcomes and safety. To promote effective life-long learning through simulation, the educator needs to consider individuals, their experiences, and their environments. Effective education of adults through simulation requires a sound understanding of both adult learning theory and experiential learning. This review article provides a framework for developing and facilitating simulation courses, founded upon empiric and theoretic research in adult and experiential learning. Specifically, this article provides a theoretic foundation for using simulation to change practice to improve patient outcomes and safety. Copyright © 2011 Elsevier Inc. All rights reserved.

  15. Theoretical Perspectives on the Internationalization of Firms

    DEFF Research Database (Denmark)

    Rask, Morten; Håkonsson, Dorthe Døjbak; Strandskov, Jesper

    2008-01-01

    The purpose of this article is to build a coherent framework of the four main theories relating to the internationalization of firms, in order to facilitate better business teaching and research. Yet, theories of the internationalization of firms are broad and rest on different underlying...... assumptions. With the purpose of clarifying the potential for integration of partial theories and fragments in a more logically connected theoretical area, this article offers a meta-theoretical overview of four perspectives within international business economics: Research and its related background, basic...

  16. Theoretical aspects of light meson spectroscopy

    International Nuclear Information System (INIS)

    Barnes, T.; Univ. of Tennessee, Knoxville, TN

    1995-01-01

    In this pedagogical review the authors discuss the theoretical understanding of light hadron spectroscopy in terms of QCD and the quark model. They begin with a summary of the known and surmised properties of QCD and confinement. Following this they review the nonrelativistic quark potential model for q anti q mesons and discuss the quarkonium spectrum and methods for identifying q anti q states. Finally, they review theoretical expectations for non-q anti q states (glueballs, hybrids and multiquark systems) and the status of experimental candidates for these states

  17. 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

  18. Elements of theoretical mechanics for electronic engineers

    CERN Document Server

    Bultot, Franz

    1965-01-01

    Elements of Theoretical Mechanics for Electronic Engineers deals with theoretical mechanics, which is considered one of the fundamental branches of instruction essential to training an engineer. This book discusses the oscillatory motions and their counterparts in electrical circuits and radio, and provides an introduction to differential operators of vector field theory. Other topics covered include systems and functions of vectors; dynamics of a free point; vibrations and waves; and statics. Worked examples and many notes on the application of most sections of the theories to electrical deve

  19. Theoretical foundations of electron spin resonance

    CERN Document Server

    Harriman, John E

    2013-01-01

    Theoretical Foundations of Electron Spin Resonance deals with the theoretical approach to electron paramagnetic resonance. The book discusses electron spin resonance in applications related to polyatomic, probably organic, free radicals in condensed phases. The book also focuses on essentially static phenomena, that is, the description and determination of stationary-state energy levels. The author reviews the Dirac theory of the electron in which a four-component wave function is responsible for the behavior of the electron. The author then connects this theory with the nonrelativistic wave f

  20. The national conference on theoretical physics. Abstracts

    International Nuclear Information System (INIS)

    Grecu, Dan; Visinescu, Anca;

    2002-01-01

    The first edition of the National Conference on Theoretical Physics held on September 13-16, 2002 in Bucharest, Romania was organized by the Theoretical Physics Department of the Horia Hulubei National Institute of Physics and Nuclear Engineering in cooperation with the Physics Department of the University of Bucharest . There were presented 51 communications grouped in five sections as follows: 1. Quantum Field Theory, Elementary Particles, Gravitation; 2. Atomic, Molecular and Nuclear Theory, Astrophysics; 3. Condensed Matter Theory, Statistical Physics; 4. Computational and Mathematical Physics, Nonlinear Phenomena; 5. Interdisciplinary Fields

  1. A Theoretical Framework for Ecological Interface Design

    DEFF Research Database (Denmark)

    Vicente, Kim J.; Rasmussen, Jens

    1988-01-01

    A theoretical framework for designing interfaces for complex systems is de-scribed. The framework, called ecological interface design (EID), suggests a set of principles for designing interfaces in a way that supports the funda-mental properties of human cognition. The basis of EID is the skills...... of the task require. The EID approach extends the concept of direct manipulation inter-faces by taking into account the added complications introduced by complex systems. In this paper, we describe the development of the framework, its theoretical foundations, and examples of its application to various work...

  2. A Unified Grand Tour of Theoretical Physics

    CERN Document Server

    Lawrie, Ian D

    2002-01-01

    A unified account of the principles of theoretical physics, A Unified Grand Tour of Theoretical Physics, Second Edition stresses the inter-relationships between areas that are usually treated as independent. The profound unifying influence of geometrical ideas, the powerful formal similarities between statistical mechanics and quantum field theory, and the ubiquitous role of symmetries in determining the essential structure of physical theories are emphasized throughout.This second edition conducts a grand tour of the fundamental theories that shape our modern understanding of the physical wor

  3. Set theoretical aspects of real analysis

    CERN Document Server

    Kharazishvili, Alexander B

    2014-01-01

    This book addresses a number of questions in real analysis and classical measure theory that are of a set-theoretic flavor. Accessible to graduate students, the beginning of the book presents introductory topics on real analysis and Lebesque measure theory. These topics highlight the boundary between fundamental concepts of measurability and non-measurability for point sets and functions. The remainder of the book deals with more specialized material on set-theoretical real analysis. Problems are included at the end of each chapter.

  4. Theoretical studies of chemical reaction dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Schatz, G.C. [Argonne National Laboratory, IL (United States)

    1993-12-01

    This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

  5. Theoretical and quantum mechanics fundamentals for chemists

    CERN Document Server

    Ivanov, Stefan

    2006-01-01

    Provides the basics of theoretical and quantum mechanics in one place and emphasizes the continuity between themUniquely presented to be used for self-taught courses covering theoretical and quantum mechanicsEach chapter includes a detailed outline, a summary, self-assessment questions for which answers can be found in the textInvaluable for chemistry undergraduate and graduate students, chemists, other non-physical scientists, engineering students of modern techniques and technology, specialists who need a better understanding of quantum mechanics.

  6. Theoretical basis of the new particles

    International Nuclear Information System (INIS)

    Rujula, A.

    1977-01-01

    The four-quark standard gauge field theory of weak, electromagnetic and strong interactions is reviewed and placed into a historical perspective since as early as 1961. Theoretical predictions of the model are compared to experimental observations available as of the Conference date, charm production in e + e - annihilation being in the spotlight. Virtues and shortcomings of the standard model are discussed. The model is concluded to have been an incredibly successful predictive tool. Some theoretical developments around the standard model are also discussed in view of CP violation in SU(2)xU(1) gauge theories, the Higgs' bosons and superunification of weak, strong and electromagnetic interactions

  7. Theoretical models for recombination in expanding gas

    International Nuclear Information System (INIS)

    Avron, Y.; Kahane, S.

    1978-09-01

    In laser isotope separation of atomic uranium, one is confronted with the theoretical problem of estimating the concentration of thermally ionized uranium atoms. To investigate this problem theoretical models for recombination in an expanding gas and in the absence of local thermal equilibrium have been constructed. The expansion of the gas is described by soluble models of the hydrodynamic equation, and the recombination by rate equations. General results for the freezing effect for the suitable ranges of the gas parameters are obtained. The impossibility of thermal equilibrium in expanding two-component systems is proven

  8. Acidity and alkalinity in mine drainage: Theoretical considerations

    Science.gov (United States)

    Kirby, Carl S.; Cravotta,, Charles A.

    2004-01-01

    Acidity, net acidity, and net alkalinity are widely used parameters for the characterization of mine drainage, but these terms are not well defined and are often misunderstood. Incorrect interpretation of acidity, alkalinity, and derivative terms can lead to inadequate treatment design or poor regulatory decisions. We briefly explain derivations of theoretical expressions of three types of alkalinities (caustic, phenolphthalein, and total) and acidities (mineral, CO2, and total). Theoretically defined total alkalinity is closely analogous to measured alkalinity and presents few practical interpretation problems. Theoretically defined “CO2- acidity” is closely related to most standard titration methods used for mine drainage with an endpoint pH of 8.3, but it presents numerous interpretation problems, and it is unfortunately named because CO2 is intentionally driven off during titration of mine-drainage samples. Using the proton condition/massaction approach and employing graphs for visualization, we explore the concept of principal components and how to assign acidity contributions to solution species, including aqueous complexes, commonly found in mine drainage. We define a comprehensive theoretical definition of acidity in mine drainage on the basis of aqueous speciation at the sample pH and the capacity of these species to undergo hydrolysis to pH 8.3. This definition indicates the computed acidity in milligrams per liter (mg L-1 ) as CaCO3 (based on pH and analytical concentrations of dissolved FeIII , FeII , Mn, and Al in mg L-1 ): Aciditycomputed = 50. (10(3-pH) + 3.CFeIII/55.8 + 2.CFeII/55.8 + 2.CMn/54.9 + 3.CAl/27.0) underestimates contributions from HSO4 - and H+ , but overestimates the acidity due to Fe3+. These errors tend to approximately cancel each other. We demonstrate that “net alkalinity” is a valid mathematical construction based on theoretical definitions of alkalinity and acidity. We demonstrate that, for most mine-drainage solutions, a

  9. Wireless Information-Theoretic Security in an Outdoor Topology with Obstacles: Theoretical Analysis and Experimental Measurements

    Directory of Open Access Journals (Sweden)

    Dagiuklas Tasos

    2011-01-01

    Full Text Available This paper presents a Wireless Information-Theoretic Security (WITS scheme, which has been recently introduced as a robust physical layer-based security solution, especially for infrastructureless networks. An autonomic network of moving users was implemented via 802.11n nodes of an ad hoc network for an outdoor topology with obstacles. Obstructed-Line-of-Sight (OLOS and Non-Line-of-Sight (NLOS propagation scenarios were examined. Low-speed user movement was considered, so that Doppler spread could be discarded. A transmitter and a legitimate receiver exchanged information in the presence of a moving eavesdropper. Average Signal-to-Noise Ratio (SNR values were acquired for both the main and the wiretap channel, and the Probability of Nonzero Secrecy Capacity was calculated based on theoretical formula. Experimental results validate theoretical findings stressing the importance of user location and mobility schemes on the robustness of Wireless Information-Theoretic Security and call for further theoretical analysis.

  10. Surfactants, interfaces and pores : a theoretical study

    NARCIS (Netherlands)

    Huinink, H.

    1998-01-01

    The aim of this study was to investigate the behavior of surfactants in porous media by theoretical means. The influence of curvature of a surface on the adsorption has been studied with a mean field lattice (MFL) model, as developed by Scheutjens and Fleer. An analytical theory has been

  11. Theoretical Status of the RHIC Program

    International Nuclear Information System (INIS)

    Jalilian-Marian, Jamal

    2006-01-01

    Since the beginning of its operation, the Relativistic Heavy Ion Collider (RHIC) at the Brookhaven National Lab has produced a wealth of exciting and interesting results. I give a brief overview of the theoretical aspects of the main results from the RHIC program

  12. Search for the Higgs boson theoretical perspectives

    CERN Document Server

    Ridolfi, G

    2001-01-01

    We present a short review of experimental and theoretical constraints on the mass of the Standard Model Higgs boson. We briefly illustrate the unsatisfactory aspects of the standard theory, and we present some general considerations about possible non-standard scenarios.

  13. System identification with information theoretic criteria

    NARCIS (Netherlands)

    A.A. Stoorvogel; J.H. van Schuppen (Jan)

    1995-01-01

    textabstractAttention is focused in this paper on the approximation problem of system identification with information theoretic criteria. For a class of problems it is shown that the criterion of mutual information rate is identical to the criterion of exponential-of-quadratic cost and to

  14. Nucleation at high pressure I: Theoretical considerations.

    NARCIS (Netherlands)

    Luijten, C.C.M.; Dongen, van M.E.H.

    1999-01-01

    A theoretical approach is presented that accounts for the influence of high pressure background gases on the vapor-to-liquid nucleation process. The key idea is to treat the carrier gas pressure as a perturbation parameter that modifies the properties of the nucleating substance. Two important

  15. Theoretical origin of quark mass matrices

    International Nuclear Information System (INIS)

    Mohapatra, R.N.

    1987-01-01

    This paper presents the theoretical origin of specific quark mass matrices in the grand unified theories. The author discusses the first natural derivation of the Stech-type mass matrix in unified gauge theories. A solution to the strong CP-problem is provided

  16. Theoretical and experimental high energy physics

    International Nuclear Information System (INIS)

    Walsh, T.; Ruddick, K.

    1990-01-01

    This report discusses the following topics: The Soudan enterprise; study of strange quarks at Fermilab; direct photons at Fermilab; the Brookhaven programs; AMY and CLEO: studies of e + e - annihilations; cosmic ray studies with the DO muon chamber; progress report on HEP computer upgrade; muon triggering and reconstruction at SSC; and, theoretical high energy physics

  17. Some Model Theoretic Remarks on Bass Modules

    Directory of Open Access Journals (Sweden)

    E. Momtahan

    2011-09-01

    Full Text Available We study Bass modules, Bass rings, and related concepts from a model theoretic point of view. We observe that the class of Bass modules (over a fixed ring is not stable under elementary equivalence. We observe that under which conditions the class of Bass rings are stable under elementary equivalence.

  18. Marketing services of higher education: theoretical aspect

    OpenAIRE

    Evgenyi Polonskyi

    2014-01-01

    The article is devoted to theoretical aspects of the use of marketing activities in institutions of higher education. The author analyzes of education from the standpoint of the marketing mix. The main factors of the external and internal environments affecting the educational institution.

  19. Hybrid quantum teleportation: A theoretical model

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Shuntaro; Mizuta, Takahiro; Fuwa, Maria; Yoshikawa, Jun-ichi; Yonezawa, Hidehiro; Furusawa, Akira [Department of Applied Physics, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2014-12-04

    Hybrid quantum teleportation – continuous-variable teleportation of qubits – is a promising approach for deterministically teleporting photonic qubits. We propose how to implement it with current technology. Our theoretical model shows that faithful qubit transfer can be achieved for this teleportation by choosing an optimal gain for the teleporter’s classical channel.

  20. EXPERIMENT AL AND THEORETICAL STUDY OF PRECAST ...

    African Journals Online (AJOL)

    EXPERIMENT AL AND THEORETICAL STUDY OF PRECAST BEAM-SLAB. CONSTRUCTION. Girma Zerayohannes and Adil Zekaria. Department of Civil Engineering. Addis Ababa University. ABSTRACT. The use of partially precast beam elements ivith shear connectors in slab construction relieves the requirement of ...

  1. A combined experimental and theoretical study

    Indian Academy of Sciences (India)

    A combined theoretical and experimental study was also performed, which demonstrated that the clus- ters 1–3 with ... silica gel TLC plates (MERCK TLC Plates). The NMR .... tronic μ3-Se and maintains the same number of clus- ter valance ...

  2. Theoretical perspectives on factors affecting the academic ...

    African Journals Online (AJOL)

    Certain student retention theories like those of Tinto, Spady and Bean have described the type of students entering higher education, but have failed to describe some real attributes and life-worlds of these students. The purpose of this article is to present a theoretical model describing the 'circles of progression' of a ...

  3. Theoretical resources for a globalised bioethics

    NARCIS (Netherlands)

    Verkerk, Marian A.; Lindemann, Hilde

    In an age of global capitalism, pandemics, far-flung biobanks, multinational drug trials and telemedicine it is impossible for bioethicists to ignore the global dimensions of their field. However, if they are to do good work on the issues that globalisation requires of them, they need theoretical

  4. Introduction: theoretical framework and research agenda

    NARCIS (Netherlands)

    Zeitlin, J.; Zeitlin, J.

    2015-01-01

    This chapter introduces the theoretical framework and research agenda of the book. It provides an overview of the three contemporaneous trends from which the book departs: the development of experimentalist governance within the EU; the EU’s efforts to extend its rules, norms, standards, and

  5. A theoretical framework of organizational change

    NARCIS (Netherlands)

    Jacobs, G.; Polos, L.; van Witteloostuijn, A.; Christe-Zyse, J.

    2013-01-01

    Purpose – Organizational change is a risky endeavour. Most change initiatives fall short on their goals and produce high opportunity and process costs, which at times outweigh the content benefits of organizational change. This paper seeks to develop a framework, offering a theoretical toolbox to

  6. Fluxless furnace brazing and its theoretical fundamentals

    International Nuclear Information System (INIS)

    Lison, R.

    1979-01-01

    In this paper the theoretical fundamental of fluxless furnace brazing are described. The necessary conditions for a wetting in the vacuum, under a inert-gas and with a reducing gas are discussed. Also other methods to reduce the oxygen partial pressure are described. Some applications of fluxless furnace brazing are outlined. (orig.) [de

  7. Theoretical Studies of Nanoclusters (Briefing Charts)

    Science.gov (United States)

    2015-07-23

    nanoclusters. However, scanning transmission electron microscopy ( STEM ) measures show cluster inversion occurred to produce MgyCux(!) a) copper atoms b...methane (née CLL -1) as a potential explosive ingredient: a theoretical study”, Propellants, Explosives, Pyrotechnics 38, 9-13 (2013). Jesus Paulo L

  8. 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 ...

  9. Department of Theoretical Physics. Annual Report 1989

    International Nuclear Information System (INIS)

    1990-01-01

    Abstracts of studies done in 1989 at the Department of Theoretical Physics of the H. Niewodniczanski Institute of Nuclear Physics in Cracow are given together with the lists of personnel, guests, conference papers, lectures, habilitations, ph.d. theses and publications. 45 refs. (A.S.)

  10. RELATIVISTIC HEAVY ION PHYSICS: A THEORETICAL OVERVIEW.

    Energy Technology Data Exchange (ETDEWEB)

    KHARZEEV,D.

    2004-03-28

    This is a mini-review of recent theoretical work in the field of relativistic heavy ion physics. The following topics are discussed initial conditions and the Color Glass Condensate; approach to thermalization and the hydrodynamic evolution; hard probes and the properties of the Quark-Gluon Plasma. Some of the unsolved problems and potentially promising directions for future research are listed as well.

  11. Information theoretic quantification of diagnostic uncertainty.

    Science.gov (United States)

    Westover, M Brandon; Eiseman, Nathaniel A; Cash, Sydney S; Bianchi, Matt T

    2012-01-01

    Diagnostic test interpretation remains a challenge in clinical practice. Most physicians receive training in the use of Bayes' rule, which specifies how the sensitivity and specificity of a test for a given disease combine with the pre-test probability to quantify the change in disease probability incurred by a new test result. However, multiple studies demonstrate physicians' deficiencies in probabilistic reasoning, especially with unexpected test results. Information theory, a branch of probability theory dealing explicitly with the quantification of uncertainty, has been proposed as an alternative framework for diagnostic test interpretation, but is even less familiar to physicians. We have previously addressed one key challenge in the practical application of Bayes theorem: the handling of uncertainty in the critical first step of estimating the pre-test probability of disease. This essay aims to present the essential concepts of information theory to physicians in an accessible manner, and to extend previous work regarding uncertainty in pre-test probability estimation by placing this type of uncertainty within a principled information theoretic framework. We address several obstacles hindering physicians' application of information theoretic concepts to diagnostic test interpretation. These include issues of terminology (mathematical meanings of certain information theoretic terms differ from clinical or common parlance) as well as the underlying mathematical assumptions. Finally, we illustrate how, in information theoretic terms, one can understand the effect on diagnostic uncertainty of considering ranges instead of simple point estimates of pre-test probability.

  12. Child Language Acquisition: Contrasting Theoretical Approaches

    Science.gov (United States)

    Ambridge, Ben; Lieven, Elena V. M.

    2011-01-01

    Is children's language acquisition based on innate linguistic structures or built from cognitive and communicative skills? This book summarises the major theoretical debates in all of the core domains of child language acquisition research (phonology, word-learning, inflectional morphology, syntax and binding) and includes a complete introduction…

  13. 5. Brazilian Symposium on theoretical physics

    International Nuclear Information System (INIS)

    Ferreira, E.

    1975-01-01

    Some aspects of several fields of theoretical physics are discussed, such as atomic nucleus, solid state, nuclear theory, elementary particles and others, some of the theories presented are treated quantum mechanically, and other classically. Most of the papers are of a didatic character [pt

  14. Theoretical and Experimental Investigation of Heterojunction Interfaces

    Science.gov (United States)

    1983-11-01

    every two surface atoms at the junction. In terms of our theoretical alchemy one proton must be added for every two surface atoms. Note that this...Chye. I. Lindau. P PianetU, C. M. Gamer , and W E Spicer, Phys Rev. B 17, 2682 11978|. "J. R. Waldrop and R W. Grant. Appl. Phys. Lett. 34. 630

  15. A game theoretic approach to assignment problems

    NARCIS (Netherlands)

    Klijn, F.

    2000-01-01

    Game theory deals with the mathematical modeling and analysis of conflict and cooperation in the interaction of multiple decision makers. This thesis adopts two game theoretic methods to analyze a range of assignment problems that arise in various economic situations. The first method has as

  16. Theoretical and experimental high energy physics

    International Nuclear Information System (INIS)

    Gasiorowicz, S.; Ruddick, K.

    1988-01-01

    This report discusses experimental and theoretical work in High Energy Physics. Some topics discussed are: quantum field theory; supersymmetry; cosmology; superstring model; relic photinos; inflationary universe; dark matter; standard model; supernovae; semileptonic decay; quantum Langevin equation; underground neutrino detection at Soudan; strange quark systems; cosmic ray detection; superconducting super collider detectors; and studies of direct photon production

  17. Sampling from a system-theoretic viewpoint

    NARCIS (Netherlands)

    Meinsma, Gjerrit; Mirkin, Leonid

    2009-01-01

    This paper studies a system-theoretic approach to the problem of reconstructing an analog signal from its samples. The idea, borrowed from earlier treatments in the control literature, is to address the problem as a hybrid model-matching problem in which performance is measured by system norms. The

  18. Theoretical Foundations of Learning Environments. Second Edition

    Science.gov (United States)

    Jonassen, David, Ed.; Land, Susan, Ed.

    2012-01-01

    "Theoretical Foundations of Learning Environments" provides students, faculty, and instructional designers with a clear, concise introduction to the major pedagogical and psychological theories and their implications for the design of new learning environments for schools, universities, or corporations. Leading experts describe the most…

  19. THEORETICAL ASPECTS OF INTERNAL FINANCIAL CONTROL

    Directory of Open Access Journals (Sweden)

    Dzhamilya F. Ismailova

    2013-01-01

    Full Text Available The article considers the theoretical aspects of internal financial control, summarizes the definition formulated by scientists and experts, analyzed for differences between incompany and intrafarm control. The article discusses the collapse of Enron, notes the general provisions of various types of financial control.

  20. Theoretical Studies in Elementary Particle Physics

    Energy Technology Data Exchange (ETDEWEB)

    Collins, John C.; Roiban, Radu S

    2013-04-01

    This final report summarizes work at Penn State University from June 1, 1990 to April 30, 2012. The work was in theoretical elementary particle physics. Many new results in perturbative QCD, in string theory, and in related areas were obtained, with a substantial impact on the experimental program.

  1. Transport at basin scales: 1. Theoretical framework

    Directory of Open Access Journals (Sweden)

    A. Rinaldo

    2006-01-01

    Full Text Available The paper describes the theoretical framework for a class of general continuous models of the hydrologic response including both flow and transport of reactive solutes. The approach orders theoretical results appeared in disparate fields into a coherent theoretical framework for both hydrologic flow and transport. In this paper we focus on the Lagrangian description of the carrier hydrologic runoff and of the processes embedding catchment-scale generation and transport of matter carried by runoff. The former defines travel time distributions, while the latter defines lifetime distributions, here thought of as contact times between mobile and immobile phases. Contact times are assumed to control mass transfer in a well-mixed approximation, appropriate in cases, like in basin-scale transport phenomena, where the characteristic size of the injection areas is much larger than that of heterogeneous features. As a result, we define general mass-response functions of catchments which extend to transport of matter geomorphologic theories of the hydrologic response. A set of examples is provided to clarify the theoretical results towards a computational framework for generalized applications, described in a companion paper.

  2. N-barN interaction theoretical models

    International Nuclear Information System (INIS)

    Loiseau, B.

    1991-12-01

    In the framework of antinucleon-nucleon interaction theoretical models, our present understanding on the N-barN interaction is discussed, either from quark- or/and meson- and baryon-degrees of freedom, by considering the N-barN annihilation into mesons and the N-barN elastic and charge-exchange scattering. (author) 52 refs., 11 figs., 2 tabs

  3. Electromagnetic nuclear life time - theoretical context

    International Nuclear Information System (INIS)

    Niez, J.J.

    2000-01-01

    One describes here the theoretical tools which are needed for evaluating the nuclear lifetime of a nucleus dipped into electromagnetic surroundings which are composed of electrons and photons. The case where this environment is a material or a cavity will be treated in a following report. (Author)

  4. Information Theoretic-Learning Auto-Encoder

    OpenAIRE

    Santana, Eder; Emigh, Matthew; Principe, Jose C

    2016-01-01

    We propose Information Theoretic-Learning (ITL) divergence measures for variational regularization of neural networks. We also explore ITL-regularized autoencoders as an alternative to variational autoencoding bayes, adversarial autoencoders and generative adversarial networks for randomly generating sample data without explicitly defining a partition function. This paper also formalizes, generative moment matching networks under the ITL framework.

  5. A Theoretical Foundation for Tilden's Interpretive Principles.

    Science.gov (United States)

    Hammitt, William E.

    1981-01-01

    Draws from perceptual and cognitive psychology to present a theoretical basis for the principles of interpretation developed by Freeman Tilden. Emphasized is cognitive map theory which holds that information units people receive, code and store are structured into cognitive models intended to represent the environment. (Author/WB)

  6. A theoretical model of multielectrode DBR lasers

    DEFF Research Database (Denmark)

    Pan, Xing; Olesen, Henning; Tromborg, Bjarne

    1988-01-01

    A theoretical model for two- and three-section tunable distributed Bragg reflector (DBR) lasers is presented. The static tuning properties are studied in terms of threshold current, linewidth, oscillation frequency, and output power. Regions of continuous tuning for three-section DBR lasers...

  7. Assessing Two Theoretical Frameworks of Civic Engagement

    Science.gov (United States)

    García-Cabrero, Benilde; Pérez-Martínez, María Guadalupe; Sandoval-Hernández, Andrés; Caso-Niebla, Joaquín; Díaz-López, Carlos David

    2016-01-01

    The purpose of this study was to empirically test two major theoretical models: a modified version of the social capital model (Pattie, Seyd and Whiteley, 2003), and the Informed Social Engagement Model (Barr and Selman, 2014; Selman and Kwok, 2010), to explain civic participation and civic knowledge of adolescents from Chile, Colombia and Mexico,…

  8. An e-Learning Theoretical Framework

    Science.gov (United States)

    Aparicio, Manuela; Bacao, Fernando; Oliveira, Tiago

    2016-01-01

    E-learning systems have witnessed a usage and research increase in the past decade. This article presents the e-learning concepts ecosystem. It summarizes the various scopes on e-learning studies. Here we propose an e-learning theoretical framework. This theory framework is based upon three principal dimensions: users, technology, and services…

  9. Theoretical Foundations for Website Design Courses.

    Science.gov (United States)

    Walker, Kristin

    2002-01-01

    Considers how theoretical foundations in website design courses can facilitate students learning the genres of Internet communication. Proposes ways that theories can be integrated into website design courses. Focuses on two students' website portfolios and ways they utilize genre theory and activity theory discussed in class to produce websites…

  10. New Theoretical Approach Integrated Education and Technology

    Science.gov (United States)

    Ding, Gang

    2010-01-01

    The paper focuses on exploring new theoretical approach in education with development of online learning technology, from e-learning to u-learning and virtual reality technology, and points out possibilities such as constructing a new teaching ecological system, ubiquitous educational awareness with ubiquitous technology, and changing the…

  11. Bridges Over Troubled Waters: Theoretical Linguistics And ...

    African Journals Online (AJOL)

    This paper tries to construct a bridge between the concerns of theoretical linguistics and those of multilingualism and code-switching (CS) research. It argues that the primary special point of interaction between these fields lies in the question of potential equivalence between elements or categories, bridging across ...

  12. Some experimental aspects of optimality theoretic pragmatics

    NARCIS (Netherlands)

    Blutner, R.; Németh T., E.; Bibok, K.

    2010-01-01

    The article has three main concerns: (i) it gives a concise introduction into optimality-theoretic pragmatics; (ii) it discusses the relation to alternative accounts (relevance theory and Levinson's theory of presumptive meanings); (iii) it reviews recent findings concerning the psychological

  13. Optimality-theoretic pragmatics meets experimental pragmatics

    NARCIS (Netherlands)

    Blutner, R.; Benz, A.; Blutner, R.

    2009-01-01

    The main concern of this article is to discuss some recent findings concerning the psychological reality of optimality-theoretic pragmatics and its central part - bidirectional optimization. A present challenge is to close the gap between experimental pragmatics and neo-Gricean theories of

  14. Theoretical and simulation studies of seeding methods

    Energy Technology Data Exchange (ETDEWEB)

    Pellegrini, Claudio [Univ. of California, Los Angeles, CA (United States)

    2017-12-11

    We report the theoretical and experimental studies done with the support of DOE-Grant DE-SC0009983 to increase an X-ray FEL peak power from the present level of 20 to 40 GW to one or more TW by seeding, undulator tapering and using the new concept of the Double Bunch FEL.

  15. Theoretical Perspectives of How Digital Natives Learn

    Science.gov (United States)

    Kivunja, Charles

    2014-01-01

    Marck Prensky, an authority on teaching and learning especially with the aid of Information and Communication Technologies, has referred to 21st century children born after 1980 as "Digital Natives". This paper reviews literature of leaders in the field to shed some light on theoretical perspectives of how Digital Natives learn and how…

  16. Theoretical Models, Assessment Frameworks and Test Construction.

    Science.gov (United States)

    Chalhoub-Deville, Micheline

    1997-01-01

    Reviews the usefulness of proficiency models influencing second language testing. Findings indicate that several factors contribute to the lack of congruence between models and test construction and make a case for distinguishing between theoretical models. Underscores the significance of an empirical, contextualized and structured approach to the…

  17. Decision-theoretic troubleshooting: Hardness of approximation

    Czech Academy of Sciences Publication Activity Database

    Lín, Václav

    2014-01-01

    Roč. 55, č. 4 (2014), s. 977-988 ISSN 0888-613X R&D Projects: GA ČR GA13-20012S Institutional support: RVO:67985556 Keywords : Decision-theoretic troubleshooting * Hardness of approximation * NP-completeness Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 2.451, year: 2014

  18. Theoretical aspects of the optical model

    International Nuclear Information System (INIS)

    Mahaux, C.

    1980-01-01

    We first recall the definition of the optical-model potential for nucleons and the physical interpretation of the main related quantities. We then survey the recent theoretical progress towards a reliable calculation of this potential. The present limitations of the theory and some prospects for future developments are outlined. (author)

  19. Double beta decay: A theoretical overview

    International Nuclear Information System (INIS)

    Rosen, S.P.

    1988-01-01

    This paper reviews the theoretical possibility of double beta decay. The titles of the main sections of this paper are: Nuclear physics setting; Particle physics requirements; Kinematical features of the decay modes; Nuclear matrix elements; the Shell model and two-neutrino decay; Quasi-particle random phase approximation; and Future considerations. 18 refs., 7 tabs

  20. Ultrarelativistic heavy ion collisions Theoretical overview

    International Nuclear Information System (INIS)

    Blaizot, Jean-Paul

    2006-01-01

    This is a short review of some theoretical aspects of the physics of ultra-relativistic heavy ion collisions. I review the main properties of the QCD phase diagram and recent developments in the physics of high gluon densities in the hadronic wavefunctions at high energy. Then I comment salient results obtained at RHIC

  1. On precipitation monitoring with theoretical statistical distributions

    Science.gov (United States)

    Cindrić, Ksenija; Juras, Josip; Pasarić, Zoran

    2018-04-01

    A common practice in meteorological drought monitoring is to transform the observed precipitation amounts to the standardised precipitation index (SPI). Though the gamma distribution is usually employed for this purpose, some other distribution may be used, particularly in regions where zero precipitation amounts are recorded frequently. In this study, two distributions are considered alongside with the gamma distribution: the compound Poisson exponential distribution (CPE) and the square root normal distribution (SRN). They are fitted to monthly precipitation amounts measured at 24 stations in Croatia in the 55-year-long period (1961-2015). At five stations, long-term series (1901-2015) are available and they have been used for a more detailed investigation. The accommodation of the theoretical distributions to empirical ones is tested by comparison of the corresponding empirical and theoretical ratios of the skewness and the coefficient of variation. Furthermore, following the common approach to precipitation monitoring (CLIMAT reports), the comparison of the empirical and theoretical quintiles in the two periods (1961-1990 and 1991-2015) is examined. The results from the present study reveal that it would be more appropriate to implement theoretical distributions in such climate reports, since they provide better evaluation for monitoring purposes than the current empirical distribution. Nevertheless, deciding on an optimal theoretical distribution for different climate regimes and for different time periods is not easy to accomplish. With regard to Croatian stations (covering different climate regimes), the CPE or SRN distribution could also be the right choice in the climatological practice, in addition to the gamma distribution.

  2. Examining Asymmetrical Relationships of Organizational Learning Antecedents: A Theoretical Model

    Directory of Open Access Journals (Sweden)

    Ery Tri Djatmika

    2016-02-01

    Full Text Available Global era is characterized by highly competitive advantage market demand. Responding to the challenge of rapid environmental changes, organizational learning is becoming a strategic way and solution to empower people themselves within the organization in order to create a novelty as valuable positioning source. For research purposes, determining the influential antecedents that affect organizational learning is vital to understand research-based solutions given for practical implications. Accordingly, identification of variables examined by asymmetrical relationships is critical to establish. Possible antecedent variables come from organizational and personal point of views. It is also possible to include a moderating one. A proposed theoretical model of asymmetrical effects of organizational learning and its antecedents is discussed in this article.

  3. A theoretical argumentation on the consequences of moral stress.

    Science.gov (United States)

    Cronqvist, Agneta; Nyström, Maria

    2007-05-01

    Intensive care units are characterized by heavy workloads, increasing work complexity and ethical concerns related to life-and-death decisions. In the present study, it is assumed that there is a relationship between moral stress, support and competence for nurses in intensive care units. To analyse and describe the theoretical relationship between moral stress and support on the one hand and competence on the other, in the context of intensive care. A form of qualitative secondary analysis based on the findings from three original studies. In the analytic process a theory on professional competence was used. The findings suggest that imbalance due to moral stress between different competences hinders the development of collectively shared caring competence. Moral stress cannot be totally eliminated in the intensive care unit. But moral stress is not only a problem. It can also become a driving force to stimulate competence.

  4. Theoretical models for Type I and Type II supernova

    International Nuclear Information System (INIS)

    Woosley, S.E.; Weaver, T.A.

    1985-01-01

    Recent theoretical progress in understanding the origin and nature of Type I and Type II supernovae is discussed. New Type II presupernova models characterized by a variety of iron core masses at the time of collapse are presented and the sensitivity to the reaction rate 12 C(α,γ) 16 O explained. Stars heavier than about 20 M/sub solar/ must explode by a ''delayed'' mechanism not directly related to the hydrodynamical core bounce and a subset is likely to leave black hole remnants. The isotopic nucleosynthesis expected from these massive stellar explosions is in striking agreement with the sun. Type I supernovae result when an accreting white dwarf undergoes a thermonuclear explosion. The critical role of the velocity of the deflagration front in determining the light curve, spectrum, and, especially, isotopic nucleosynthesis in these models is explored. 76 refs., 8 figs

  5. Game-theoretic equilibrium analysis applications to deregulated electricity markets

    Science.gov (United States)

    Joung, Manho

    This dissertation examines game-theoretic equilibrium analysis applications to deregulated electricity markets. In particular, three specific applications are discussed: analyzing the competitive effects of ownership of financial transmission rights, developing a dynamic game model considering the ramp rate constraints of generators, and analyzing strategic behavior in electricity capacity markets. In the financial transmission right application, an investigation is made of how generators' ownership of financial transmission rights may influence the effects of the transmission lines on competition. In the second application, the ramp rate constraints of generators are explicitly modeled using a dynamic game framework, and the equilibrium is characterized as the Markov perfect equilibrium. Finally, the strategic behavior of market participants in electricity capacity markets is analyzed and it is shown that the market participants may exaggerate their available capacity in a Nash equilibrium. It is also shown that the more conservative the independent system operator's capacity procurement, the higher the risk of exaggerated capacity offers.

  6. Mixed phase clouds: observations and theoretical advances (overview)

    Science.gov (United States)

    Korolev, Alexei

    2013-04-01

    Mixed phase clouds play important role in precipitation formation and radiation budget of the Earth. The microphysical measurements in mixed phase clouds are notoriously difficult due to many technical challenges. The airborne instrumentation for characterization of the microstructure of mixed phase clouds is discussed. The results multiyear airborne observations and measurements of frequency of occurrence of mixed phase, characteristic spatial scales, humidity in mixed phase and ice clouds are presented. A theoretical framework describing the thermodynamics and phase transformation of a three phase component system consisting of ice particles, liquid droplets and water vapor is discussed. It is shown that the Wegener-Bergeron-Findeisen process plays different role in clouds with different dynamics. The problem of maintenance and longevity of mixed phase clouds is discussed.

  7. Theoretical and experimental study of fenofibrate and simvastatin

    Science.gov (United States)

    Nicolás Vázquez, Inés; Rodríguez-Núñez, Jesús Rubén; Peña-Caballero, Vicente; Ruvalcaba, Rene Miranda; Aceves-Hernandez, Juan Manuel

    2017-12-01

    Fenofibrate, an oral fibrate lipid lowering agent, and simvastatin, which reduces plasma levels of low-density lipoprotein cholesterol, are active pharmaceutical ingredients (APIs), currently in the market. We characterized these APIs by thermal analysis and conducted X-ray powder diffraction techniques. Studies should be carried out in the formulation stage before the final composition of a polypill may be established. Thus, it was found in thermochemical studies that both compounds present no chemical interactions in an equimolar mixture of solid samples at room temperature. Theoretical studies were employed to determine possible interactions between fenofibrate and simvastatin. A very weak intramolecular hydrogen bond is formed between the hydroxyl group (O5H5) of the simvastatin with chlorine and carbonyl group (C11O4, C1O2) of the fenofibrate molecule. These weak energy hydrogen bonds have no effect on the chemical stability of the compounds studied. The results were obtained using Density Functional Theory methods; particularly the BPE1BPE and B3LYP functional and 6-31++G** basis set. The values of energy show good approximation when are compared with similar calculations previously reported. Infrared spectra of monomers and dimers were obtained via theoretical calculations.

  8. Information-theoretic decomposition of embodied and situated systems.

    Science.gov (United States)

    Da Rold, Federico

    2018-07-01

    The embodied and situated view of cognition stresses the importance of real-time and nonlinear bodily interaction with the environment for developing concepts and structuring knowledge. In this article, populations of robots controlled by an artificial neural network learn a wall-following task through artificial evolution. At the end of the evolutionary process, time series are recorded from perceptual and motor neurons of selected robots. Information-theoretic measures are estimated on pairings of variables to unveil nonlinear interactions that structure the agent-environment system. Specifically, the mutual information is utilized to quantify the degree of dependence and the transfer entropy to detect the direction of the information flow. Furthermore, the system is analyzed with the local form of such measures, thus capturing the underlying dynamics of information. Results show that different measures are interdependent and complementary in uncovering aspects of the robots' interaction with the environment, as well as characteristics of the functional neural structure. Therefore, the set of information-theoretic measures provides a decomposition of the system, capturing the intricacy of nonlinear relationships that characterize robots' behavior and neural dynamics. Copyright © 2018 Elsevier Ltd. All rights reserved.

  9. Tesla Coil Theoretical Model and its Experimental Verification

    Directory of Open Access Journals (Sweden)

    Voitkans Janis

    2014-12-01

    Full Text Available In this paper a theoretical model of Tesla coil operation is proposed. Tesla coil is described as a long line with distributed parameters in a single-wire form, where the line voltage is measured across electrically neutral space. By applying the principle of equivalence of single-wire and two-wire schemes an equivalent two-wire scheme can be found for a single-wire scheme and the already known long line theory can be applied to the Tesla coil. A new method of multiple reflections is developed to characterize a signal in a long line. Formulas for calculation of voltage in Tesla coil by coordinate and calculation of resonance frequencies are proposed. The theoretical calculations are verified experimentally. Resonance frequencies of Tesla coil are measured and voltage standing wave characteristics are obtained for different output capacities in the single-wire mode. Wave resistance and phase coefficient of Tesla coil is obtained. Experimental measurements show good compliance with the proposed theory. The formulas obtained in this paper are also usable for a regular two-wire long line with distributed parameters.

  10. Theoretical chemistry in Belgium a topical collection from theoretical chemistry accounts

    CERN Document Server

    Champagne, Benoît; De Proft, Frank; Leyssens, Tom

    2014-01-01

    Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

  11. A unified grand tour of theoretical physics

    CERN Document Server

    Lawrie, Ian D

    2013-01-01

    A Unified Grand Tour of Theoretical Physics invites its readers to a guided exploration of the theoretical ideas that shape our contemporary understanding of the physical world at the fundamental level. Its central themes, comprising space-time geometry and the general relativistic account of gravity, quantum field theory and the gauge theories of fundamental forces, and statistical mechanics and the theory of phase transitions, are developed in explicit mathematical detail, with an emphasis on conceptual understanding. Straightforward treatments of the standard models of particle physics and cosmology are supplemented with introductory accounts of more speculative theories, including supersymmetry and string theory. This third edition of the Tour includes a new chapter on quantum gravity, focusing on the approach known as Loop Quantum Gravity, while new sections provide extended discussions of topics that have become prominent in recent years, such as the Higgs boson, massive neutrinos, cosmological perturba...

  12. Theoretical analysis of magnetic sensor output voltage

    International Nuclear Information System (INIS)

    Liu Haishun; Dun Chaochao; Dou Linming; Yang Weiming

    2011-01-01

    The output voltage is an important parameter to determine the stress state in magnetic stress measurement, the relationship between the output voltage and the difference in the principal stresses was investigated by a comprehensive application of magnetic circuit theory, magnetization theory, stress analysis as well as the law of electromagnetic induction, and a corresponding quantitative equation was derived. It is drawn that the output voltage is proportional to the difference in the principal stresses, and related to the angle between the principal stress and the direction of the sensor. This investigation provides a theoretical basis for the principle stresses measurement by output voltage. - Research highlights: → A comprehensive investigation of magnetic stress signal. → Derived a quantitative equation about output voltage and the principal stresses. → The output voltage is proportional to the difference of the principal stresses. → Provide a theoretical basis for the principle stresses measurement.

  13. Theoretical aspects of spatial-temporal modeling

    CERN Document Server

    Matsui, Tomoko

    2015-01-01

    This book provides a modern introductory tutorial on specialized theoretical aspects of spatial and temporal modeling. The areas covered involve a range of topics which reflect the diversity of this domain of research across a number of quantitative disciplines. For instance, the first chapter provides up-to-date coverage of particle association measures that underpin the theoretical properties of recently developed random set methods in space and time otherwise known as the class of probability hypothesis density framework (PHD filters). The second chapter gives an overview of recent advances in Monte Carlo methods for Bayesian filtering in high-dimensional spaces. In particular, the chapter explains how one may extend classical sequential Monte Carlo methods for filtering and static inference problems to high dimensions and big-data applications. The third chapter presents an overview of generalized families of processes that extend the class of Gaussian process models to heavy-tailed families known as alph...

  14. Surface physics theoretical models and experimental methods

    CERN Document Server

    Mamonova, Marina V; Prudnikova, I A

    2016-01-01

    The demands of production, such as thin films in microelectronics, rely on consideration of factors influencing the interaction of dissimilar materials that make contact with their surfaces. Bond formation between surface layers of dissimilar condensed solids-termed adhesion-depends on the nature of the contacting bodies. Thus, it is necessary to determine the characteristics of adhesion interaction of different materials from both applied and fundamental perspectives of surface phenomena. Given the difficulty in obtaining reliable experimental values of the adhesion strength of coatings, the theoretical approach to determining adhesion characteristics becomes more important. Surface Physics: Theoretical Models and Experimental Methods presents straightforward and efficient approaches and methods developed by the authors that enable the calculation of surface and adhesion characteristics for a wide range of materials: metals, alloys, semiconductors, and complex compounds. The authors compare results from the ...

  15. Theoretical Division annual report, FY 1975

    International Nuclear Information System (INIS)

    Carruthers, P.A.

    1976-02-01

    This report presents an overview of the activities in the Theoretical Division and a summary of research highlights during FY 1975. It is intended to inform a wide audience about the theoretical work of the LASL and, therefore, contains introductory material which places recent advances in a broader context. The report is organized into two special interest reports: reactor safety research and the Advanced Research Committee, and 11 reports from the T-Division group leaders on the work of their respective groups. Main interests and responsibilities are outlined including the relationship of the group's work to the work of other T-Division groups and other divisions at the Laboratory. The description of research highlights for FY 1975 explains in a fairly simple, straightforward manner the major recent advances and their significance. Each group report is followed by a publication list for FY 1975 (330 references) and a list of talks given outside the Laboratory (140 references). 29 figures

  16. Evolution of Theoretical Perspectives in My Research

    Science.gov (United States)

    Otero, Valerie K.

    2009-11-01

    Over the past 10 years I have been using socio-cultural theoretical perspectives to understand how people learn physics in a highly interactive, inquiry-based physics course such as Physics and Everyday Thinking [1]. As a result of using various perspectives (e.g. Distributed Cognition and Vygotsky's Theory of Concept Formation), my understanding of how these perspectives can be useful for investigating students' learning processes has changed. In this paper, I illustrate changes in my thinking about the role of socio-cultural perspectives in understanding physics learning and describe elements of my thinking that have remained fairly stable. Finally, I will discuss pitfalls in the use of certain perspectives and discuss areas that need attention in theoretical development for PER.

  17. Modeling business processes: theoretical and practical aspects

    Directory of Open Access Journals (Sweden)

    V.V. Dubininа

    2015-06-01

    Full Text Available The essence of process-oriented enterprise management has been examined in the article. The content and types of information technology have been analyzed in the article, due to the complexity and differentiation of existing methods, as well as the specificity of language, terminology of the enterprise business processes modeling. The theoretical aspects of business processes modeling have been reviewed and the modern traditional modeling techniques received practical application in the visualization model of retailers activity have been studied in the article. In the process of theoretical analysis of the modeling methods found that UFO-toolkit method that has been developed by Ukrainian scientists due to it systemology integrated opportunities, is the most suitable for structural and object analysis of retailers business processes. It was designed visualized simulation model of the business process "sales" as is" of retailers using a combination UFO-elements with the aim of the further practical formalization and optimization of a given business process.

  18. Modelling in Accounting. Theoretical and Practical Dimensions

    Directory of Open Access Journals (Sweden)

    Teresa Szot-Gabryś

    2010-10-01

    Full Text Available Accounting in the theoretical approach is a scientific discipline based on specific paradigms. In the practical aspect, accounting manifests itself through the introduction of a system for measurement of economic quantities which operates in a particular business entity. A characteristic of accounting is its flexibility and ability of adaptation to information needs of information recipients. One of the main currents in the development of accounting theory and practice is to cover by economic measurements areas which have not been hitherto covered by any accounting system (it applies, for example, to small businesses, agricultural farms, human capital, which requires the development of an appropriate theoretical and practical model. The article illustrates the issue of modelling in accounting based on the example of an accounting model developed for small businesses, i.e. economic entities which are not obliged by law to keep accounting records.

  19. Theoretical framework of community education improvement

    Directory of Open Access Journals (Sweden)

    Zaúl Brizuela Castillo

    2015-05-01

    Full Text Available The paper explains the connection between the approach selected for the analysis and development of community education and the contradictions manifested in its theoretical and practical comprehension. As a result, a comprehensive model for community education, describing the theoretical and methodological framework to improve community education, is devised. This framework is based on a conscious organizing of educative influences applied to the regular task of the community under the coordinate action of social institutions and organization that promote the transformational action of the neighborhood assuming a protagonist role in the improvement of the quality of live and morals related to the socialism updating process. The comprehensive model was proved experimentally at District 59 of San Miguel town; the transformation of the community was scientifically registered together with the information gather by means of observation and interviewing. The findings proved the pertinence and feasibility of the proposed model.

  20. Gene therapy: theoretical and bioethical concepts.

    Science.gov (United States)

    Smith, Kevin R

    2003-01-01

    Gene therapy holds great promise. Somatic gene therapy has the potential to treat a wide range of disorders, including inherited conditions, cancers, and infectious diseases. Early progress has already been made in the treatment of a range of disorders. Ethical issues surrounding somatic gene therapy are primarily those concerned with safety. Germline gene therapy is theoretically possible but raises serious ethical concerns concerning future generations.

  1. Partial discharge transients: The field theoretical approach

    DEFF Research Database (Denmark)

    McAllister, Iain Wilson; Crichton, George C

    1998-01-01

    Up until the mid-1980s the theory of partial discharge transients was essentially static. This situation had arisen because of the fixation with the concept of void capacitance and the use of circuit theory to address what is in essence a field problem. Pedersen rejected this approach and instead...... began to apply field theory to the problem of partial discharge transients. In the present paper, the contributions of Pedersen using the field theoretical approach will be reviewed and discussed....

  2. Theoretical analysis of polarized structure functions

    International Nuclear Information System (INIS)

    Altarelli, G.; ); Ball, R.D.; Forte, S.; Ridolfi, G.

    1998-01-01

    We review the analysis of polarized structure function data using perturbative QCD and NLO We use the most recent experimental data to obtain updated results for polarized parton distributions, first moments and the strong coupling. We also discuss several theoretical issues involving in this analysis and in the interpretation of its results. Finally, we compare our results with other similar analyses in the recent literature. (author)

  3. Theoretical Analysis of Polarized Structure Functions

    CERN Document Server

    Altarelli, Guido; Forte, Stefano; Ridolfi, G

    1998-01-01

    We review the analysis of polarized structure function data using perturbative QCD at next-to-leading order. We use the most recent experimental data to obtain updated results for polarized parton distributions, first moments and the strong coupling. We also discuss several theoretical issues involved in this analysis and in the interpretation of its results. Finally, we compare our results with other similar analyses in the recent literature.

  4. Theoretical status of baryon magnetic moments

    Science.gov (United States)

    Franklin, Jerrold

    1989-05-01

    This talk given at the Eighth International Symposium on High-Energy Spin Physics in Minneapolis, Minnesota (September 12-17, 1988), is a short summary of theoretical results for baryon magnetic moments. Results from the static bag model and pion exchange effects are summarized and compared with experimental data. A list of references for various models and properties effecting the baryon magnetic moments is given at the end of the article. (AIP)

  5. Theoretical status of baryon magnetic moments

    International Nuclear Information System (INIS)

    Franklin, J.

    1989-01-01

    This talk given at the Eighth International Symposium on High-Energy Spin Physics in Minneapolis, Minnesota (September 12--17, 1988), is a short summary of theoretical results for baryon magnetic moments. Results from the static bag model and pion exchange effects are summarized and compared with experimental data. A list of references for various models and properties effecting the baryon magnetic moments is given at the end of the article

  6. The water dimer II: Theoretical investigations

    Energy Technology Data Exchange (ETDEWEB)

    Mukhopadhyay, Anamika; Xantheas, Sotiris S.; Saykally, Richard J.

    2018-03-29

    As the archetype of hydrogen bonding between water molecules, the water dimer has been extensively studied by both theory and experiment for nearly seven decades. In this article, we present a detailed chronological review of the theoretical advances using electronic structure methods pertaining to the structure, hydrogen bonding and vibrational spectroscopy of the water dimer as well as the role of its potential energy surface in the development of classical force fields to describe intermolecular interaction in clusters and liquid water.

  7. A field theoretic model for static friction

    OpenAIRE

    Mahyaeh, I.; Rouhani, S.

    2013-01-01

    We present a field theoretic model for friction, where the friction coefficient between two surfaces may be calculated based on elastic properties of the surfaces. We assume that the geometry of contact surface is not unusual. We verify Amonton's laws to hold that friction force is proportional to the normal load.This model gives the opportunity to calculate the static coefficient of friction for a few cases, and show that it is in agreement with observed values. Furthermore we show that the ...

  8. Theoretical aspects of double beta decay

    International Nuclear Information System (INIS)

    Haxton, W.C.

    1984-01-01

    Considerable effort has been expended recently in theoretical studies of double beta decay. Much of this work has focussed on the constraints this process places on gauge theories of the weak interaction, in general, and on the neutrino mass matrix, in particular. In addition, interesting nuclear structure questions have arisen in studies of double beta decay matrix elements. After briefly reviewing the theory of double beta decay, some of the progress that has been made in these areas is summarized. 25 references

  9. Aromatherapy and nursing: historical and theoretical conception

    OpenAIRE

    Gnatta, Juliana Rizzo; Kurebayashi, Leonice Fumiko Sato; Turrini, Ruth Natalia Teresa; Silva, Maria Júlia Paes da

    2016-01-01

    Abstract Aromatherapy is a Practical or Complementary Health Therapy that uses volatile concentrates extracted from plants called essential oils, in order to improve physical, mental and emotional well-being. Aromatherapy has been practiced historically and worldwide by nurses and, as in Brazil is supported by the Federal Nursing Council, it is relevant to discuss this practice in the context of Nursing through Theories of Nursing. This study of theoretical reflection, exploratory and descrip...

  10. Forming a Perceived Franchise Value: Theoretical Insights

    OpenAIRE

    Levickaitė, Rasa; Reimeris, Ramojus

    2011-01-01

    The article is based on literature review, theoretical insights and deals with the topic of perceived franchise value. The objective of the paper is – what elements form the franchisee's perceived value in service business (comparing with alternative of own business model). The aim of the paper is to propose systematic value elements in the process of forming a value of a franchise business model perceived by the franchisee. In terms of practical meaning, this article should be relevant to en...

  11. Theoretical proposals in bullying research: a review

    OpenAIRE

    Postigo, Silvia; González, Remedios; Montoya, Inmaculada; Ordoñez, Ana

    2013-01-01

    Four decades of research into peer bullying have produced an extensive body of knowledge. This work attempts to provide an integrative theoretical framework, which includes the specific theories and observations. The main aim is to organize the available knowledge in order to guide the development of effective interventions. To that end, several psychological theories are described that have been used and/or adapted with the aim of understanding peer bullying. All of them, at different ecolog...

  12. Corporate social responsibility audit: Theoretical aspects

    OpenAIRE

    Artem Koldovskyi

    2015-01-01

    This paper puts a conceptual framework to outline research for corporate social responsibility (CSR) audit based on the analysis of current CRS literature and audit models as implementation of CSR. It is intended to make clear the phenomena about the relationship between audit, implementation of business ethics principles and corporate governance. However, most studies do not take into account modify CSR audit. This paper reports part of a research we carried out on the theoretical interpreta...

  13. Modelling in Accounting. Theoretical and Practical Dimensions

    OpenAIRE

    Teresa Szot -Gabryś

    2010-01-01

    Accounting in the theoretical approach is a scientific discipline based on specific paradigms. In the practical aspect, accounting manifests itself through the introduction of a system for measurement of economic quantities which operates in a particular business entity. A characteristic of accounting is its flexibility and ability of adaptation to information needs of information recipients. One of the main currents in the development of accounting theory and practice is to cover by economic...

  14. Chapter 2. Theoretical aspects of aluminium production

    International Nuclear Information System (INIS)

    Yanko, E.A.; Kabirov, Sh.O.; Safiev, Kh.; Azizov, B.S.; Mirpochaev, Kh.A.

    2011-01-01

    This article is devoted to theoretical aspects of aluminium production. Thus, the electrochemistry of electrolysis process, calculation of base industrial indicators of aluminium electrolytic cell, and processes occurring on anode and cathode were considered. Factors, which increase the current output and electrolytic cell productivity were studied. The side effects, including anode effect, sodium extraction on cathode, aluminium dissolution in the electrolyte, aluminium carbide formation, and influence of admixtures in the electrolyte were studied as well.

  15. Theoretical nuclear structure. Progress report for 1997

    International Nuclear Information System (INIS)

    Nazarewicz, W.; Strayer, M.R.

    1997-01-01

    This research effort is directed toward theoretical support and guidance for the fields of radioactive ion beam physics, gamma-ray spectroscopy, and the interface between nuclear structure and nuclear astrophysics. The authors report substantial progress in all these areas. One measure of progress is publications and invited material. The research described here has led to more than 25 papers that are published, accepted, or submitted to refereed journals, and to 25 invited presentations at conferences and workshops

  16. Theoretical investigation of aspects of radioactive contamination

    International Nuclear Information System (INIS)

    Smith, A.H.; Chandratillake, M.R.; Taylor, J.B.

    1998-01-01

    The BNFL programme of work has investigated theoretical aspects of the mechanisms responsible for the deposition and adherence of contamination to metallic surfaces and the energetics of physical decontamination processes. The work has been conducted in two phases: The theoretical and laboratory study of deposition of species from aqueous media on to stainless steel; Theoretical assessment of the forces causing the attraction of PuO 2 and UO 2 particles to stainless steel in an air environment and comparison of these forces with the energies delivered by physical jetting processes. The first phase produced a model which was found to give good agreement with plant operational experience of the deposition of simple aqueous ions such as Cobalt. Due to the complexities, however, of surface / colloid and surface / particle interactions the model was found not to be successful at predicting deposition for more complex compounds, such as Ruthenium Nitrosyls. At this stage the model had fulfilled its original requirement of underpinning design work on pipework shielding systems and it was decided not to pursue the library of chemical speciation data that would be necessary to model the behaviour of a full spectrum of possible contaminants. The second phase predicts by theoretical analysis that the relation of the energy delivered by jetting techniques to the physical forces causing the adherence of PuO 2 and UO 2 particles will vary considerably with particle size. This is particularly notably for larger PuO 2 particles which are firmly held as a result of high levels of electrostatic charge due to their intense alpha activity. Small particles tend to be difficult to remove due to the low profile that they present to the jetting medium. Large and small PuO 2 particles and small UO 2 particle are thus predicted to be difficult to remove and will present an energy threshold which may not be crossed by all decontamination techniques. (author)

  17. Theoretical Calculations of Atomic Data for Spectroscopy

    Science.gov (United States)

    Bautista, Manuel A.

    2000-01-01

    Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of various levels of accuracy. This paper presents a review of these theoretical methods to help non-experts in atomic physics to better understand the qualities and limitations of various data sources and assess how reliable are spectral models based on those data.

  18. Game Theoretical Approach to Supply Chain Microfinance

    OpenAIRE

    Sim , Jaehun; Prabhu , Vittaldas ,

    2013-01-01

    Part 1: Sustainable Production; International audience; This paper considers a supply chain microfinance model in which a manufacturer acts as a lender and a raw material supplier as a borrower. Using a game theoretical analysis, the study investigates how investment levels, raw material prices, and profit margins are influenced by loan interest rates under two types of decentralized channel policies: manufacturer Stackelberg and vertical Nash game. In addition, the study shows how the profit...

  19. Net alkalinity and net acidity 1: Theoretical considerations

    International Nuclear Information System (INIS)

    Kirby, Carl S.; Cravotta, Charles A.

    2005-01-01

    Net acidity and net alkalinity are widely used, poorly defined, and commonly misunderstood parameters for the characterization of mine drainage. The authors explain theoretical expressions of 3 types of alkalinity (caustic, phenolphthalein, and total) and acidity (mineral, CO 2 , and total). Except for rarely-invoked negative alkalinity, theoretically defined total alkalinity is closely analogous to measured alkalinity and presents few practical interpretation problems. Theoretically defined 'CO 2 -acidity' is closely related to most standard titration methods with an endpoint pH of 8.3 used for determining acidity in mine drainage, but it is unfortunately named because CO 2 is intentionally driven off during titration of mine-drainage samples. Using the proton condition/mass-action approach and employing graphs to illustrate speciation with changes in pH, the authors explore the concept of principal components and how to assign acidity contributions to aqueous species commonly present in mine drainage. Acidity is defined in mine drainage based on aqueous speciation at the sample pH and on the capacity of these species to undergo hydrolysis to pH 8.3. Application of this definition shows that the computed acidity in mgL -1 as CaCO 3 (based on pH and analytical concentrations of dissolved Fe II , Fe III , Mn, and Al in mgL -1 ):acidity calculated =50{1000(10 -pH )+[2(Fe II )+3(Fe III )]/56+2(Mn) /55+3(Al)/27}underestimates contributions from HSO 4 - and H + , but overestimates the acidity due to Fe 3+ and Al 3+ . However, these errors tend to approximately cancel each other. It is demonstrated that 'net alkalinity' is a valid mathematical construction based on theoretical definitions of alkalinity and acidity. Further, it is shown that, for most mine-drainage solutions, a useful net alkalinity value can be derived from: (1) alkalinity and acidity values based on aqueous speciation (2) measured alkalinity minus calculated acidity, or (3) taking the negative of the

  20. Net alkalinity and net acidity 1: Theoretical considerations

    Science.gov (United States)

    Kirby, C.S.; Cravotta, C.A.

    2005-01-01

    Net acidity and net alkalinity are widely used, poorly defined, and commonly misunderstood parameters for the characterization of mine drainage. The authors explain theoretical expressions of 3 types of alkalinity (caustic, phenolphthalein, and total) and acidity (mineral, CO2, and total). Except for rarely-invoked negative alkalinity, theoretically defined total alkalinity is closely analogous to measured alkalinity and presents few practical interpretation problems. Theoretically defined "CO 2-acidity" is closely related to most standard titration methods with an endpoint pH of 8.3 used for determining acidity in mine drainage, but it is unfortunately named because CO2 is intentionally driven off during titration of mine-drainage samples. Using the proton condition/mass- action approach and employing graphs to illustrate speciation with changes in pH, the authors explore the concept of principal components and how to assign acidity contributions to aqueous species commonly present in mine drainage. Acidity is defined in mine drainage based on aqueous speciation at the sample pH and on the capacity of these species to undergo hydrolysis to pH 8.3. Application of this definition shows that the computed acidity in mg L -1 as CaCO3 (based on pH and analytical concentrations of dissolved FeII, FeIII, Mn, and Al in mg L -1):aciditycalculated=50{1000(10-pH)+[2(FeII)+3(FeIII)]/56+2(Mn)/ 55+3(Al)/27}underestimates contributions from HSO4- and H+, but overestimates the acidity due to Fe3+ and Al3+. However, these errors tend to approximately cancel each other. It is demonstrated that "net alkalinity" is a valid mathematical construction based on theoretical definitions of alkalinity and acidity. Further, it is shown that, for most mine-drainage solutions, a useful net alkalinity value can be derived from: (1) alkalinity and acidity values based on aqueous speciation, (2) measured alkalinity minus calculated acidity, or (3) taking the negative of the value obtained in a

  1. Hybrid rocket engine, theoretical model and experiment

    Science.gov (United States)

    Chelaru, Teodor-Viorel; Mingireanu, Florin

    2011-06-01

    The purpose of this paper is to build a theoretical model for the hybrid rocket engine/motor and to validate it using experimental results. The work approaches the main problems of the hybrid motor: the scalability, the stability/controllability of the operating parameters and the increasing of the solid fuel regression rate. At first, we focus on theoretical models for hybrid rocket motor and compare the results with already available experimental data from various research groups. A primary computation model is presented together with results from a numerical algorithm based on a computational model. We present theoretical predictions for several commercial hybrid rocket motors, having different scales and compare them with experimental measurements of those hybrid rocket motors. Next the paper focuses on tribrid rocket motor concept, which by supplementary liquid fuel injection can improve the thrust controllability. A complementary computation model is also presented to estimate regression rate increase of solid fuel doped with oxidizer. Finally, the stability of the hybrid rocket motor is investigated using Liapunov theory. Stability coefficients obtained are dependent on burning parameters while the stability and command matrixes are identified. The paper presents thoroughly the input data of the model, which ensures the reproducibility of the numerical results by independent researchers.

  2. Theoretical resources for a globalised bioethics.

    Science.gov (United States)

    Verkerk, Marian A; Lindemann, Hilde

    2011-02-01

    In an age of global capitalism, pandemics, far-flung biobanks, multinational drug trials and telemedicine it is impossible for bioethicists to ignore the global dimensions of their field. However, if they are to do good work on the issues that globalisation requires of them, they need theoretical resources that are up to the task. This paper identifies four distinct understandings of 'globalised' in the bioethics literature: (1) a focus on global issues; (2) an attempt to develop a universal ethical theory that can transcend cultural differences; (3) an awareness of how bioethics itself has expanded, with new centres and journals emerging in nearly every corner of the globe; (4) a concern to avoid cultural imperialism in encounters with other societies. Each of these approaches to globalisation has some merit, as will be shown. The difficulty with them is that the standard theoretical tools on which they rely are not designed for cross-cultural ethical reflection. As a result, they leave important considerations hidden. A set of theoretical resources is proposed to deal with the moral puzzles of globalisation. Abandoning idealised moral theory, a normative framework is developed that is sensitive enough to account for differences without losing the broader context in which ethical issues arise. An empirically nourished, self-reflexive, socially inquisitive, politically critical and inclusive ethics allows bioethicists the flexibility they need to pick up on the morally relevant particulars of this situation here without losing sight of the broader cultural contexts in which it all takes place.

  3. Theoretical models of neutron emission in fission

    International Nuclear Information System (INIS)

    Madland, D.G.

    1992-01-01

    A brief survey of theoretical representations of two of the observables in neutron emission in fission is given, namely, the prompt fission neutron spectrum N(E) and the average prompt neutron multiplicity bar v p . Early representations of the two observables are presented and their deficiencies are discussed. This is followed by summaries and examples of recent theoretical models for the calculation of these quantities. Emphasis is placed upon the predictability and accuracy of the new models. In particular, the dependencies of N(E) and bar v p upon the fissioning nucleus and its excitation energy are treated. Recent work in the calculation of the prompt fission neutron spectrum matrix N(E,E n ), where E n is the energy of the neutron inducing fission, is then discussed. Concluding remarks address the current status of our ability to calculate these observables with confidence, the direction of future theoretical efforts, and limititations to current and future calculations. Finally, recommendations are presented as to which model should be used currently and which model should be pursued in future efforts

  4. When VSEPR fails: experimental and theoretical investigations of the behavior of alkaline-earth-metal acetylides.

    Science.gov (United States)

    Guino-o, Marites A; Alexander, Jacob S; McKee, Michael L; Hope, Håkon; Englich, Ulrich B; Ruhlandt-Senge, Karin

    2009-11-09

    The synthesis, structural, and spectral characterization as well as a theoretical study of a family of alkaline-earth-metal acetylides provides insights into synthetic access and the structural and bonding characteristics of this group of highly reactive compounds. Based on our earlier communication that reported unusual geometry for a family of triphenylsilyl-substituted alkaline-earth-metal acetylides, we herein present our studies on an expanded family of target derivatives, providing experimental and theoretical data to offer new insights into the intensively debated theme of structural chemistry in heavy alkaline-earth-metal chemistry.

  5. Theoretical investigation of radical species formed from L-α-alanine under gamma-irradiation

    International Nuclear Information System (INIS)

    Simion, C.

    2008-01-01

    Gamma-irradiated L-α-alanine used in EPR-coupled dosimetry has a complex EPR spectrum at room temperature. Changing the temperature or other conditions of the irradiated samples leads to varied EPR spectrum, i.e., some components disappear and/or new ones are formed. We used both molecular mechanics (MM+) and semiempirical (AM1) methods to perform a theoretical investigation of the seven radical species that have been experimentally detected. We established their order of priority in the given simulation conditions (at 0 K, in vacuo). The formation stages advanced for these long-lived radical species were characterized by a theoretical determination of the reaction enthalpies. (author)

  6. Theoretical and experimental determination of mechanical properties of superconducting composite wire

    International Nuclear Information System (INIS)

    Gray, W.H.; Sun, C.T.

    1976-07-01

    The mechanical properties of a composite superconducting (NbTi/Cu) wire are characterized in terms of the mechanical properties of each constituent material. For a particular composite superconducting wire, five elastic material constants were experimentally determined and theoretically calculated. Since the Poisson's ratios for the fiber and the matrix material were very close, there was essentially no (less than 1 percent) difference among all the theoretical predictions for any individual mechanical constant. Because of the expense and difficulty of producing elastic constant data of 0.1 percent accuracy, and therefore conclusively determining which theory is best, no further experiments were performed

  7. Theoretical approaches to social innovation – A critical literature review

    NARCIS (Netherlands)

    Butzin, A.; Davis, A.; Domanski, D.; Dhondt, S.; Howaldt, J.; Kaletka, C.; Kesselring, A.; Kopp, R.; Millard, J.; Oeij, P.; Rehfeld, D.; Schaper-Rinkel, P.; Schwartz, M.; Scoppetta, A.; Wagner-Luptacik, P.; Weber, M.

    2014-01-01

    The SI-DRIVE report “Theoretical approaches to Social Innovation – A Critical Literature Review” delivers a comprehensive overview on the state of the art of theoretically relevant building blocks for advancing a theoretical understanding of social innovation. It collects different theoretical

  8. Some theoretical aspects of electrostatic double layers

    International Nuclear Information System (INIS)

    Carlqvist, P.

    1978-11-01

    A review is presented of the main results of the theoretical work on electrostatic double layers. The general properties of double layers are first considered. Then the time-independent double layer is discussed. The discussion deals with the potential drop, the thickness, and some necessary criteria for the existence and stability of the layer. As a complement to the study of the timeindependent double layer a few remarks are also made upon the timedependent double layer. Finally the question of how double layers are formed and maintained is treated. Several possible formation mechanisms are considered. (author)

  9. Theoretical studies in elementary particle physics

    International Nuclear Information System (INIS)

    Collins, J.

    1994-01-01

    This is a report on research conducted at Penn State University under grant number DE-FG02-90ER-40577, from November 1992 to present. The author is a member of the CTEQ collaboration (Coordinated Theoretical and Experimental Project on Quantitative QCD). Some of the work in CTEQ is described in this report. Topics which the authors work has touched include: polarized hard scattering; hard diffraction; small x and perturbative pomeron physics; gauge-invariant operators; fundamental QCD; heavy quarks; instantons and deep inelastic scattering; non-perturbative corrections to τ decay

  10. Almost Free Modules Set-Theoretic Methods

    CERN Document Server

    Eklof, PC

    1990-01-01

    This is an extended treatment of the set-theoretic techniques which have transformed the study of abelian group and module theory over the last 15 years. Part of the book is new work which does not appear elsewhere in any form. In addition, a large body of material which has appeared previously (in scattered and sometimes inaccessible journal articles) has been extensively reworked and in many cases given new and improved proofs. The set theory required is carefully developed with algebraists in mind, and the independence results are derived from explicitly stated axioms. The book contains exe

  11. Theoretical considerations on multiparton interactions in QCD

    International Nuclear Information System (INIS)

    Diehl, Markus; Schaefer, Andreas

    2011-02-01

    We investigate several ingredients for a theory of multiple hard scattering in hadronhadron collisions. Issues discussed include the space-time structure of multiple interactions, their power behavior, spin and color correlations, interference terms, scale evolution and Sudakov logarithms. We discuss possibilities to constrain multiparton distributions by lattice calculations and by connecting them with generalized parton distributions. We show that the behavior of two-parton distributions at small interparton distances leads to problems with ultraviolet divergences and with double counting, which requires modification of the presently available theoretical framework. (orig.)

  12. [Experimental and theoretical high energy physics program

    Energy Technology Data Exchange (ETDEWEB)

    Finley, J.; Gaidos, J.A.; Loeffler, F.J.; McIlwain, R.L.; Miller, D.H.; Palfrey, T.R.; Shibata, E.I.; Shipsey, I.P.

    1993-04-01

    Experimental and theoretical high-energy physics research at Purdue is summarized in a number of reports. Subjects treated include the following: the CLEO experiment for the study of heavy flavor physics; gas microstrip detectors; particle astrophysics; affine Kac{endash}Moody algebra; nonperturbative mass bounds on scalar and fermion systems due to triviality and vacuum stability constraints; resonance neutrino oscillations; e{sup +}e{sup {minus}} collisions at CERN; {bar p}{endash}p collisions at FNAL; accelerator physics at Fermilab; development work for the SDC detector at SSC; TOPAZ; D-zero physics; physics beyond the standard model; and the Collider Detector at Fermilab. (RWR)

  13. Studies in theoretical high energy particle physics

    International Nuclear Information System (INIS)

    Aratyn, H.; Brekke, L.; Keung, Wai-Yee; Sukhatme, U.

    1993-01-01

    Theoretical work on the following topics is briefly summarized: symmetry structure of conformal affine Toda model and KP hierarchy; solitons in the affine Toda and conformal affine Toda models; classical r-matrices and Poisson bracket structures on infinite-dimensional groups; R-matrix formulation of KP hierarchies and their gauge equivalence; statistics of particles and solitons; charge quantization in the presence of an Alice string; knotting and linking of nonabelian flux; electric dipole moments; neutrino physics in gauge theories; CP violation in the high energy colliders; supersymmetric quantum mechanics; parton structure functions in nuclei; dual parton model. 38 refs

  14. Theoretical Outline about Cooperative Entrepreneurial Management System

    Directory of Open Access Journals (Sweden)

    Angie Fernández Lorenzo

    2015-12-01

    Full Text Available The essence of Cooperativism prints some particular characters to the cooperatives management process, especially the need to integrate the technical, economic and social edges in shaping and improving its. Considering that documented precedent studies have not led to analyze the whole process of cooperative management, but only to solve problems in specific subsystems, in this paper we the theoretical fundaments of Cooperatives Business Management System, under the criteria of integrity and balance between these edges, which is the basis for the proposal of functional subsystems to ensure the whole cooperatives performance.

  15. Theoretical aspects of lepton-hadron scattering

    International Nuclear Information System (INIS)

    Drell, S.D.

    1992-01-01

    In this paper, I will emphasize two points on Theoretical Aspects of Lepton-Hadron Scattering: (1) The crucial importance of testing the ''exact'' sum rules as tests of the local current algebra. Discrepancies, if found, between experiment and theory cannot be ''interpreted away'' in terms of more complex parton wave functions for the hadronic ground state. The three sum rules of interest are those of Adler, Bjorken, and Gross and Llewellyn-Smith. (2) An understanding of the corrections to scaling in QCD and what they teach us

  16. Some theoretical aspects of hormone receptor determination

    International Nuclear Information System (INIS)

    Sluiter, W.J.

    1981-01-01

    Suitable antisera for determination of hormone receptors are not available for the majority of hormone receptors. Therefore, the determination of hormone receptors is mostly performed in terms of binding capacity for the appropriate hormone, using radioactive hormone labels. Some theoretical aspects of such a receptor determination are discussed including the length of incubation (total or unoccupied receptor concentration), single point or multiple point (Scatchard) analysis (regarding the influence of other specific binders), the correction procedure for non-specific binding and the influence of the circulating hormone level. (Auth.)

  17. Analogy in systems management: a theoretical inquiry

    Energy Technology Data Exchange (ETDEWEB)

    Silverman, B.G.

    1983-11-01

    This theoretical analysis of the intuitive and diffuse characteristics of analogical reasoning processes is the first step in a research effort intended to lead to: understanding of common (and possibly costly) errors, pitfalls, travails, and problem-solving impediments; possible recommendations for improvements to organizational structures, control and coordination processes, and management information flows, and guidelines for a generalized analogical reasoning support framework (e.g., a handbook, a knowledge bank design, and/or even a software package/artificial intelligence program). 233 references.

  18. Evaluation: theoretical underpinnings and web resources.

    Science.gov (United States)

    Berryman, Donna R

    2012-01-01

    Librarians may benefit from understanding research theory more fully, looking at the services they offer as a program, and using program evaluation to understand the program value more completely. The process of program evaluation is research, and, as such, it should be situated within theory. This article reviews two of the basic theoretical concepts of research: ontology and epistemology. These concepts work together to help craft the research questions, and the questions drive the selection of methodology. The article also provides a list of web resources useful for understanding research theory in evaluation.

  19. Modeling of alkynes: synthesis and theoretical properties

    Directory of Open Access Journals (Sweden)

    Renato Rosseto

    2003-06-01

    Full Text Available In this paper we present the synthesis and simulation of alkynes derivatives. Semiempirical calculations were carried out for the ground and first excited states, including the spectroscopic properties of the absorption and emission (fluorescence and phosphorescence spectra by INDO/S-CI and DNdM-INDO/S-CI methods with geometries fully optimized by PM3/CI. The fact that the theoretical spectra are in accord with the experimental absorption spectra gives us a new possible approach on how structure modifications could affect the non-linear optical properties of alkynes.

  20. A signal theoretic introduction to random processes

    CERN Document Server

    Howard, Roy M

    2015-01-01

    A fresh introduction to random processes utilizing signal theory By incorporating a signal theory basis, A Signal Theoretic Introduction to Random Processes presents a unique introduction to random processes with an emphasis on the important random phenomena encountered in the electronic and communications engineering field. The strong mathematical and signal theory basis provides clarity and precision in the statement of results. The book also features:  A coherent account of the mathematical fundamentals and signal theory that underpin the presented material Unique, in-depth coverage of

  1. Theoretical nuclear structure and astrophysics at FAIR

    International Nuclear Information System (INIS)

    Rodríguez, Tomás R

    2014-01-01

    Next generation of radioactive ion beam facilities like FAIR will open a bright future for nuclear structure and nuclear astrophysics research. In particular, very exotic nuclei (mainly neutron rich) isotopes will be produced and a lot of new exciting experimental data will help to test and improve the current nuclear models. In addition, these data (masses, reaction cross sections, beta decay half-lives, etc.) combined with the development of better theoretical approaches will be used as the nuclear physics input for astrophysical simulations. In this presentation I will review some of the state-of-the-art nuclear structure methods and their applications.

  2. Theoretical considerations on multiparton interactions in QCD

    Energy Technology Data Exchange (ETDEWEB)

    Diehl, Markus [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Schaefer, Andreas [Regensburg Univ. (Germany). Inst. fuer Theoretische Physik

    2011-02-15

    We investigate several ingredients for a theory of multiple hard scattering in hadronhadron collisions. Issues discussed include the space-time structure of multiple interactions, their power behavior, spin and color correlations, interference terms, scale evolution and Sudakov logarithms. We discuss possibilities to constrain multiparton distributions by lattice calculations and by connecting them with generalized parton distributions. We show that the behavior of two-parton distributions at small interparton distances leads to problems with ultraviolet divergences and with double counting, which requires modification of the presently available theoretical framework. (orig.)

  3. The 1989 progress report: theoretical Physics

    International Nuclear Information System (INIS)

    Laval, G.

    1989-01-01

    The 1989 progress report of the laboratory of theoretical Physics of the Polytechnic School (France) is presented. The investigations reported concern the following subjects: the transport of a passive vector by a flow, the conformal field theories, the dynamics of wetting, the electromagnetic properties of composite materials, the neutrino oscillations, the heavy ion collision phenomenology, the laser-plasma interaction, the construction of a code for simulating the evolution of magnetohydrodynamic instabilities in plasmas. The published papers, the conferences and the Laboratory staff are listed [fr

  4. Experimental and theoretical advances in fluid dynamics

    CERN Document Server

    Klapp, Jaime; Fuentes, Oscar Velasco

    2011-01-01

    The book is comprised of lectures and selected contributions presented at the Enzo Levi and XVI Annual Meeting of the Fluid Dynamic Division of the Mexican Physical Society in 2010. It is aimed at fourth year undergraduate and graduate students, as well as scientists in the fields of physics, engineering and chemistry with an interest in fluid dynamics from the experimental and theoretical point of view. The lectures are introductory and avoid the use of complicated mathematics. The other selected contributions are also geared to fourth year undergraduate and graduate students. The fluid dynam

  5. A theoretical framework for analysing preschool teaching

    DEFF Research Database (Denmark)

    Chaiklin, Seth

    2014-01-01

    This article introduces a theoretical framework for analysing preschool teaching as a historically-grounded societal practice. The aim is to present a unified framework that can be used to analyse and compare both historical and contemporary examples of preschool teaching practice within and across...... national traditions. The framework has two main components, an analysis of preschool teaching as a practice, formed in relation to societal needs, and an analysis of the categorical relations which necessarily must be addressed in preschool teaching activity. The framework is introduced and illustrated...

  6. Simple theoretical models for composite rotor blades

    Science.gov (United States)

    Valisetty, R. R.; Rehfield, L. W.

    1984-01-01

    The development of theoretical rotor blade structural models for designs based upon composite construction is discussed. Care was exercised to include a member of nonclassical effects that previous experience indicated would be potentially important to account for. A model, representative of the size of a main rotor blade, is analyzed in order to assess the importance of various influences. The findings of this model study suggest that for the slenderness and closed cell construction considered, the refinements are of little importance and a classical type theory is adequate. The potential of elastic tailoring is dramatically demonstrated, so the generality of arbitrary ply layup in the cell wall is needed to exploit this opportunity.

  7. The legal reasoning skills. Theoretical considerations

    Directory of Open Access Journals (Sweden)

    Lisett D. Páez Cuba

    2014-06-01

    Full Text Available This research analyzes the legal reasoning as essential skills to the teaching - learning process of law. This approach is based on a theoretical systematization of the Theory of Legal Argumentation (TLA that allows the conception of law as an argumentative act itself. It also determines, as a new element, the inclusion of legal argumentation as the final phase of the law cycle, which has particular impact on the teaching of this science. In this regard, the proposal of three skills of legal reasoning is made: interpreting the law, enforce the rule of law and legally argue the legal decision.

  8. Tesla coil theoretical model and experimental verification

    OpenAIRE

    Voitkans, Janis; Voitkans, Arnis

    2014-01-01

    Abstract – In this paper a theoretical model of a Tesla coil operation is proposed. Tesla coil is described as a long line with distributed parameters in a single-wired format, where the line voltage is measured against electrically neutral space. It is shown that equivalent two-wired scheme can be found for a single-wired scheme and already known long line theory can be applied to a Tesla coil. Formulas for calculation of voltage in a Tesla coil by coordinate and calculation of resonance fre...

  9. CO oxidation on gold nanoparticles: Theoretical studies

    DEFF Research Database (Denmark)

    Remediakis, Ioannis; Lopez, Nuria; Nørskov, Jens Kehlet

    2005-01-01

    We present a summary of our theoretical results regarding CO oxidation on both oxide-supported and isolated gold nanoparticles. Using Density Functional Theory we have studied the adsorption of molecules and the oxidation reaction of CO on gold clusters. Low-coordinated sites on the gold...... nanoparticles can adsorb small inorganic molecules such as O2 and CO, and the presence of these sites is the key factor for the catalytic properties of supported gold nanoclusters. Other contributions, induced by the presence of the support, can provide parallel channels for the reaction and modulate the final...

  10. Radiotherapy problem under fuzzy theoretic approach

    International Nuclear Information System (INIS)

    Ammar, E.E.; Hussein, M.L.

    2003-01-01

    A fuzzy set theoretic approach is used for radiotherapy problem. The problem is faced with two goals: the first is to maximize the fraction of surviving normal cells and the second is to minimize the fraction of surviving tumor cells. The theory of fuzzy sets has been employed to formulate and solve the problem. A linguistic variable approach is used for treating the first goal. The solutions obtained by the modified approach are always efficient and best compromise. A sensitivity analysis of the solutions to the differential weights is given

  11. Theoretical considerations on multiparton interactions in QCD

    International Nuclear Information System (INIS)

    Diehl, Markus; Schaefer, Andreas

    2011-01-01

    We investigate several ingredients for a theory of multiple hard scattering in hadron-hadron collisions. Issues discussed include the space-time structure of multiple interactions, their power behavior, spin and color correlations, interference terms, scale evolution and Sudakov logarithms. We discuss possibilities to constrain multiparton distributions by lattice calculations and by connecting them with generalized parton distributions. We show that the behavior of two-parton distributions at small interparton distances leads to problems with ultraviolet divergences and with double counting, which requires modification of the presently available theoretical framework.

  12. Socio-theoretic Accounts of IS

    DEFF Research Database (Denmark)

    Rose, Jeremy; Jones, Matthew

    2005-01-01

    A long-standing debate in the IS literature concerns the relationship between technology and organization. Does technology cause effects in organizations, or is it humans that determine how technology is used? Many socio-theoretic accounts of a middle way between the extremes of technological...... confusion. This paper argues that neither structuration theory nor actor network theory offers a particularly convincing account of the interaction of humans and machines, and that their different accounts of agency make them hard to integrate in any meaningful way. Comparing the two theories and their use...

  13. Theoretical aspects of antimatter and gravity.

    Science.gov (United States)

    Blas, Diego

    2018-03-28

    In this short contribution, I review the physical case of studying the gravitational properties of antimatter from a theoretical perspective. I first discuss which elements are desirable for any theory where the long-range interactions between matter and antimatter differ from those of matter with itself. Afterwards I describe the standard way to hide the effects of new forces in matter-matter interactions which still allows one to generate ponderable matter-antimatter interactions. Finally, I comment on some recent ideas and propose some possible future directions.This article is part of the Theo Murphy meeting issue 'Antiproton physics in the ELENA era'. © 2018 The Author(s).

  14. [Experimental and theoretical high energy physics program

    International Nuclear Information System (INIS)

    Finley, J.; Gaidos, J.A.; Loeffler, F.J.; McIlwain, R.L.; Miller, D.H.; Palfrey, T.R.; Shibata, E.I.; Shipsey, I.P.

    1993-04-01

    Experimental and theoretical high-energy physics research at Purdue is summarized in a number of reports. Subjects treated include the following: the CLEO experiment for the study of heavy flavor physics; gas microstrip detectors; particle astrophysics; affine Kac endash Moody algebra; nonperturbative mass bounds on scalar and fermion systems due to triviality and vacuum stability constraints; resonance neutrino oscillations; e + e - collisions at CERN; bar p endash p collisions at FNAL; accelerator physics at Fermilab; development work for the SDC detector at SSC; TOPAZ; D-zero physics; physics beyond the standard model; and the Collider Detector at Fermilab

  15. Theoretical predictor for candidate structure assignment from IMS data of biomolecule-related conformational space.

    Science.gov (United States)

    Schenk, Emily R; Nau, Frederic; Fernandez-Lima, Francisco

    2015-06-01

    The ability to correlate experimental ion mobility data with candidate structures from theoretical modeling provides a powerful analytical and structural tool for the characterization of biomolecules. In the present paper, a theoretical workflow is described to generate and assign candidate structures for experimental trapped ion mobility and H/D exchange (HDX-TIMS-MS) data following molecular dynamics simulations and statistical filtering. The applicability of the theoretical predictor is illustrated for a peptide and protein example with multiple conformations and kinetic intermediates. The described methodology yields a low computational cost and a simple workflow by incorporating statistical filtering and molecular dynamics simulations. The workflow can be adapted to different IMS scenarios and CCS calculators for a more accurate description of the IMS experimental conditions. For the case of the HDX-TIMS-MS experiments, molecular dynamics in the "TIMS box" accounts for a better sampling of the molecular intermediates and local energy minima.

  16. Theoretical and Experimental Analysis of Formability of Explosive Welded Mg/Al Bimetallic Bars

    Directory of Open Access Journals (Sweden)

    Mróz S.

    2017-06-01

    Full Text Available The paper has presented the results of theoretical studies and experimental tests of the plastic deformation of Mg/Al bimetallic specimens. Theoretical studies were carried out using the Forge2011® computer program. Physical modeling, on the other hand, was performed using the Gleeble3800 simulator. Bimetallic bars of an outer diameter of 22.5 mm and a cladding layer thickness of 1.7 mm were obtained by the explosive welding method. Samples for formability tests, characterized by a diameter-to-length ratio of 1, were taken from the bars. The theoretical studies and experimental tests were carried out for the temperature range from 300 to 400°C and for different strain rates. Based on the obtained investigation results it has been found that the main parameters influencing the formability of Mg/Al bimetallic bars are strain rate than the process temperature.

  17. Theoretical treatments of stimulated Raman scattering

    International Nuclear Information System (INIS)

    Uehara, Youichi; Sasaki, Wataru

    1981-01-01

    Stimulated Raman scattering (SRS) is a phenomenon, in which the coherent light (Stokes emission) with a shifted wavelength specific to a kind of material mixes in scattered monochromatic light, when the intense monochromatic light (laser light) is scattered by projecting it to the above material. According to the theoretical researches together with the experiments on SRS, it is qualitatively understood to be the phenomenon, in which laser energy is transferred to Stokes emission by the interaction through the optical non-linearity of a material between incident laser beam and the Stokes emission generated by spontaneous emission. The authors have been interested in the application of SRS to plasma diagnostics, and have studied it theoretically for the purpose of investigating its feasibility. Here, the theories reported so far are introduced arranging them. First, the derivation of SRS fundamental equations is explained, though it is limited to the SRS theory for ultrashort pulse laser (TSRS), and Raman media were assumed to be gas or liquid phase. Next, the solution of the equations and the basic properties of TSRS are described. Then, the extension of the TSRS to the cases when the several assumptions, which were set in the solution of the equations, were removed is explained. The extension includes the cases for phase fluctuation, dispersion, existence of anti-Stokes emission, and the presence of laser beam attenuation. Finally, the SRS by the broad band laser is introduced. (Wakatsuki, Y.)

  18. Information-theoretic metamodel of organizational evolution

    Science.gov (United States)

    Sepulveda, Alfredo

    2011-12-01

    Social organizations are abstractly modeled by holarchies---self-similar connected networks---and intelligent complex adaptive multiagent systems---large networks of autonomous reasoning agents interacting via scaled processes. However, little is known of how information shapes evolution in such organizations, a gap that can lead to misleading analytics. The research problem addressed in this study was the ineffective manner in which classical model-predict-control methods used in business analytics attempt to define organization evolution. The purpose of the study was to construct an effective metamodel for organization evolution based on a proposed complex adaptive structure---the info-holarchy. Theoretical foundations of this study were holarchies, complex adaptive systems, evolutionary theory, and quantum mechanics, among other recently developed physical and information theories. Research questions addressed how information evolution patterns gleamed from the study's inductive metamodel more aptly explained volatility in organization. In this study, a hybrid grounded theory based on abstract inductive extensions of information theories was utilized as the research methodology. An overarching heuristic metamodel was framed from the theoretical analysis of the properties of these extension theories and applied to business, neural, and computational entities. This metamodel resulted in the synthesis of a metaphor for, and generalization of organization evolution, serving as the recommended and appropriate analytical tool to view business dynamics for future applications. This study may manifest positive social change through a fundamental understanding of complexity in business from general information theories, resulting in more effective management.

  19. Theoretical Basics of Teaching Discrete Mathematics

    Directory of Open Access Journals (Sweden)

    Y. A. Perminov

    2012-01-01

    Full Text Available  The paper deals with the research findings concerning the process of mastering the theoretical basics of discrete mathematics by the students of vocational pedagogic profile. The methodological analysis is based on the subject and functions of the modern discrete mathematics and its role in mathematical modeling and computing. The modern discrete mathematics (i.e. mathematics of the finite type structures plays the important role in modernization of vocational training. It is especially rele- vant to training students for vocational pedagogic qualifications, as in the future they will be responsible for training the middle and the senior level specialists in engineer- ing and technical spheres. Nowadays in different industries, there arise the problems which require for their solving both continual – based on the classical mathematical methods – and discrete modeling. The teaching course of discrete mathematics for the future vocational teachers should be relevant to the target qualification and aimed at mastering the mathematical modeling, systems of computer mathematics and computer technologies. The author emphasizes the fundamental role of mastering the language of algebraic and serial structures, as well as the logical, algorithmic, combinatory schemes dominating in dis- crete mathematics. The guidelines for selecting the content of the course in discrete mathematics are specified. The theoretical findings of the research can be put into practice whilst developing curricula and working programs for bachelors and masters’ training. 

  20. A theoretical model of water and trade

    Science.gov (United States)

    Dang, Qian; Konar, Megan; Reimer, Jeffrey J.; Di Baldassarre, Giuliano; Lin, Xiaowen; Zeng, Ruijie

    2016-03-01

    Water is an essential input for agricultural production. Agriculture, in turn, is globalized through the trade of agricultural commodities. In this paper, we develop a theoretical model that emphasizes four tradeoffs involving water-use decision-making that are important yet not always considered in a consistent framework. One tradeoff focuses on competition for water among different economic sectors. A second tradeoff examines the possibility that certain types of agricultural investments can offset water use. A third tradeoff explores the possibility that the rest of the world can be a source of supply or demand for a country's water-using commodities. The fourth tradeoff concerns how variability in water supplies influences farmer decision-making. We show conditions under which trade liberalization affect water use. Two policy scenarios to reduce water use are evaluated. First, we derive a target tax that reduces water use without offsetting the gains from trade liberalization, although important tradeoffs exist between economic performance and resource use. Second, we show how subsidization of water-saving technologies can allow producers to use less water without reducing agricultural production, making such subsidization an indirect means of influencing water use decision-making. Finally, we outline conditions under which riskiness of water availability affects water use. These theoretical model results generate hypotheses that can be tested empirically in future work.

  1. Theoretical optical spectroscopy of complex systems

    International Nuclear Information System (INIS)

    Conte, A. Mosca; Violante, C.; Missori, M.; Bechstedt, F.; Teodonio, L.; Ippoliti, E.; Carloni, P.; Guidoni, L.; Pulci, O.

    2013-01-01

    Highlights: ► We review some theoretical condensed matter ab initio spectroscopic computational techniques. ► We show several applications ranging from 0 to 3 dimensional systems. ► For each system studied, we show which kind of information it is possible to obtain by performing these calculations. -- Abstract: We review here some of the most reliable and efficient computational theoretical ab initio techniques for the prediction of optical and electronic spectroscopic properties and show some important applications to molecules, surfaces, and solids. We investigate the role of the solvent in the optical absorption spectrum of indole molecule. We study the excited-state properties of a photo-active minimal model molecule for the retinal of rhodopsin, responsible for vision mechanism in animals. We then show a study about spectroscopic properties of Si(1 1 1) surface. Finally we simulate a bulk system: paper, that is mainly made of cellulose, a pseudo-crystalline material representing 40% of annual biomass production in the Earth

  2. Information-theoretic lengths of Jacobi polynomials

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero, A; Dehesa, J S [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Granada, Granada (Spain); Sanchez-Moreno, P, E-mail: agmartinez@ugr.e, E-mail: pablos@ugr.e, E-mail: dehesa@ugr.e [Instituto ' Carlos I' de Fisica Teorica y Computacional, Universidad de Granada, Granada (Spain)

    2010-07-30

    The information-theoretic lengths of the Jacobi polynomials P{sup ({alpha}, {beta})}{sub n}(x), which are information-theoretic measures (Renyi, Shannon and Fisher) of their associated Rakhmanov probability density, are investigated. They quantify the spreading of the polynomials along the orthogonality interval [- 1, 1] in a complementary but different way as the root-mean-square or standard deviation because, contrary to this measure, they do not refer to any specific point of the interval. The explicit expressions of the Fisher length are given. The Renyi lengths are found by the use of the combinatorial multivariable Bell polynomials in terms of the polynomial degree n and the parameters ({alpha}, {beta}). The Shannon length, which cannot be exactly calculated because of its logarithmic functional form, is bounded from below by using sharp upper bounds to general densities on [- 1, +1] given in terms of various expectation values; moreover, its asymptotics is also pointed out. Finally, several computational issues relative to these three quantities are carefully analyzed.

  3. Theoretical optical spectroscopy of complex systems

    Energy Technology Data Exchange (ETDEWEB)

    Conte, A. Mosca, E-mail: adriano.mosca.conte@roma2.infn.it [MIFP, NAST, ETSF,CNR INFM-SMC, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, Roma (Italy); Violante, C., E-mail: claudia.violante@roma2.infn.it [MIFP, NAST, ETSF,CNR INFM-SMC, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, Roma (Italy); Missori, M., E-mail: mauro.missori@isc.cnr.it [Istituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, Via Salaria Km 29.300, 00016 Monterotondo Scalo (Rome) (Italy); Bechstedt, F., E-mail: bech@ifto.physik.uni-jena.de [Institut fur Festkorpertheorie und -optik, Friedrich-Schiller-Universitat, Max-Wien-Platz 1, 07743 Jena (Germany); Teodonio, L. [MIFP, NAST, ETSF,CNR INFM-SMC, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, Roma (Italy); Istituto centrale per il restauro e la conservazione del patrimonio archivistico e librario (IC-RCPAL), Italian Minister for Cultural Heritage, Via Milano 76, 00184 Rome (Italy); Ippoliti, E.; Carloni, P. [German Research School for Simulation Sciences, Julich (Germany); Guidoni, L., E-mail: leonardo.guidoni@univaq.it [Università degli Studi di L’Aquila, Dipartimento di Chimica e Materiali, Via Campo di Pile, 67100 L’Aquila (Italy); Pulci, O., E-mail: olivia.pulci@roma2.infn.it [MIFP, NAST, ETSF,CNR INFM-SMC, Universitá di Roma Tor Vergata, Via della Ricerca Scientifica 1, Roma (Italy)

    2013-08-15

    Highlights: ► We review some theoretical condensed matter ab initio spectroscopic computational techniques. ► We show several applications ranging from 0 to 3 dimensional systems. ► For each system studied, we show which kind of information it is possible to obtain by performing these calculations. -- Abstract: We review here some of the most reliable and efficient computational theoretical ab initio techniques for the prediction of optical and electronic spectroscopic properties and show some important applications to molecules, surfaces, and solids. We investigate the role of the solvent in the optical absorption spectrum of indole molecule. We study the excited-state properties of a photo-active minimal model molecule for the retinal of rhodopsin, responsible for vision mechanism in animals. We then show a study about spectroscopic properties of Si(1 1 1) surface. Finally we simulate a bulk system: paper, that is mainly made of cellulose, a pseudo-crystalline material representing 40% of annual biomass production in the Earth.

  4. Theoretical aspects of the equivalence principle

    International Nuclear Information System (INIS)

    Damour, Thibault

    2012-01-01

    We review several theoretical aspects of the equivalence principle (EP). We emphasize the unsatisfactory fact that the EP maintains the absolute character of the coupling constants of physics, while general relativity and its generalizations (Kaluza–Klein, …, string theory) suggest that all absolute structures should be replaced by dynamical entities. We discuss the EP-violation phenomenology of dilaton-like models, which is likely to be dominated by the linear superposition of two effects: a signal proportional to the nuclear Coulomb energy, related to the variation of the fine-structure constant, and a signal proportional to the surface nuclear binding energy, related to the variation of the light quark masses. We recall various theoretical arguments (including a recently proposed anthropic argument) suggesting that the EP be violated at a small, but not unmeasurably small level. This motivates the need for improved tests of the EP. These tests are probing new territories in physics that are related to deep, and mysterious, issues in fundamental physics. (paper)

  5. A gauge-theoretic approach to gravity.

    Science.gov (United States)

    Krasnov, Kirill

    2012-08-08

    Einstein's general relativity (GR) is a dynamical theory of the space-time metric. We describe an approach in which GR becomes an SU(2) gauge theory. We start at the linearized level and show how a gauge-theoretic Lagrangian for non-interacting massless spin two particles (gravitons) takes a much more simple and compact form than in the standard metric description. Moreover, in contrast to the GR situation, the gauge theory Lagrangian is convex. We then proceed with a formulation of the full nonlinear theory. The equivalence to the metric-based GR holds only at the level of solutions of the field equations, that is, on-shell. The gauge-theoretic approach also makes it clear that GR is not the only interacting theory of massless spin two particles, in spite of the GR uniqueness theorems available in the metric description. Thus, there is an infinite-parameter class of gravity theories all describing just two propagating polarizations of the graviton. We describe how matter can be coupled to gravity in this formulation and, in particular, how both the gravity and Yang-Mills arise as sectors of a general diffeomorphism-invariant gauge theory. We finish by outlining a possible scenario of the ultraviolet completion of quantum gravity within this approach.

  6. Game Theoretic Resolution of Water Conflicts

    Science.gov (United States)

    Tyagi, H.; Gosain, A. K.; Khosa, R.

    2017-12-01

    Water disputes are of multi-disciplinary nature and involve an array of natural, hydrological,social, political and economic issues. Operations Research based decision making methodshave been found to facilitate mathematical analysis of such multifaceted problems thatconsist of multiple stakeholders and their conflicting objectives. Game Theoretic techniqueslike Metagame and Hypergame Analysis can provide a framework for conceptualizing waterconflicts and envisaging their potential solutions. In the present research, firstly a Metagamemodel has been developed to identify range of plausible equilibrium outcomes for resolvingconflicts pertaining to water apportionments in a transboundary watercourse. Further, it hasbeen observed that the contenders often hide their strategies from other players to getfavorable water allocations. Consequently, there are widespread misinterpretations about thetactics of the competitors and contenders have to formulate their strategies entirely based ontheir perception about others. Accordingly, a Hypergame study has also been conducted tomodel the probable misperceptions that may exist amongst the river riparians. Thus, thecurrent study assesses the efficacy of Game Theoretic techniques as possible redressalmechanism for water conflicts.

  7. Modern trends in theoretical radiation chemistry development

    International Nuclear Information System (INIS)

    Kaplan, I.G.

    1983-01-01

    Most important trends in the development of radiation chemitry theory are considered. Wide use of electronic computers for modeling different stages of radiolysis in conjUnction with advanced precision experimental methods (picosecond pulse radiolysis, acceptor additions method, magnetic method of detecting interstitial active particles) is noted. Information obtained in photochemistry and molecular spectroscopy, including laser photolysis, is in common use in developing the theory. It is noted that data on the processes occurring within less than 10 -12 s time can be obtained now only on the base of theoretical representations about the mechanism of ionizing irradiation interaction with molecular medium. Therefore, special attention in the review is paid to investigation of primary radiolysis processes. Besides investigation of primary medium excitation processes theoretical investigations into the ways of energy degradation, knocked out electrons and their further state are continued. It is noted that a considerable number of papers deal with the nature and behaviour of radiation-induced excess electrons in non-polar solutions and solid matrices. Works on application of diffusion kinetics in radiolysis have been developed in recent years

  8. Graph-theoretical concepts and physicochemical data

    Directory of Open Access Journals (Sweden)

    Lionello Pogliani

    2003-02-01

    Full Text Available Graph theoretical concepts have been used to model the molecular polarizabilities of fifty-four organic derivatives, and the induced dipole moment of a set of fifty-seven organic compounds divided into three subsets. The starting point of these modeling strategies is the hydrogen-suppressed chemical graph and pseudograph of a molecule, which works very well for second row atoms. From these types of graphs a set of graph-theoretical basis indices, the molecular connectivity indices, can be derived and used to model properties and activities of molecules. With the aid of the molecular connectivity basis indices it is then possible to build higher-order descriptors. The problem of 'graph' encoding the contribution of the inner-core electrons of heteroatoms can here be solved with the aid of odd complete graphs, Kp-(p-odd. The use of these graph tools allow to draw an optimal modeling of the molecular polarizabilities and a satisfactory modeling of the induced dipole moment of a wide set of organic derivatives.

  9. Absorption coefficients of silicon: A theoretical treatment

    Science.gov (United States)

    Tsai, Chin-Yi

    2018-05-01

    A theoretical model with explicit formulas for calculating the optical absorption and gain coefficients of silicon is presented. It incorporates direct and indirect interband transitions and considers the effects of occupied/unoccupied carrier states. The indirect interband transition is calculated from the second-order time-independent perturbation theory of quantum mechanics by incorporating all eight possible routes of absorption or emission of photons and phonons. Absorption coefficients of silicon are calculated from these formulas. The agreements and discrepancies among the calculated results, the Rajkanan-Singh-Shewchun (RSS) formula, and Green's data are investigated and discussed. For example, the RSS formula tends to overestimate the contributions of indirect transitions for cases with high photon energy. The results show that the state occupied/unoccupied effect is almost negligible for silicon absorption coefficients up to the onset of the optical gain condition where the energy separation of Quasi-Femi levels between electrons and holes is larger than the band-gap energy. The usefulness of using the physics-based formulas, rather than semi-empirical fitting ones, for absorption coefficients in theoretical studies of photovoltaic devices is also discussed.

  10. Comparison between theoretical predictions and tracking

    Energy Technology Data Exchange (ETDEWEB)

    Ruggiero, A.G.

    1985-01-01

    The beam-beam interaction in a proton-antiproton collider has been an outstanding issue for a long time. Several theoretical predictions have been made in the past which range from the appearance of single beam-beam driven resonances to the onset of stochasticity and Arnold diffusion and the presence of chaotic trajectories. All these effects would cause a limit on the maximum strength of the beam-beam interaction, the so called beam-beam tune-shift, and speculative values have been offered ranging from as low as 0.0005 to as large as a fraction of unit. The lower limit could be caused in a more complicated situation where the external focussing forces which keep the two beams in the same storage ring are also modulated in time. These theoretical predictions have been compared with extensive computer tracking where the motion of the particles is followed turn after turn over very long periods of time. Though it is indeed possible to observe the formation of several resonances, nevertheless the onset of connected stochasticity seems to occur at too large beam-beam tune-shift to be of any practical relevance. Moreover no Arnold diffusion has been observed to have any practical significance. Chaotic trajectories have been found to embed the phase space in disconnected regions of appreciable extension. They increase in numbers considerably when time modulation of external focussing forces is added. 15 refs., 18 figs.

  11. Theoretical Division annual report, FY 1975. [LASL

    Energy Technology Data Exchange (ETDEWEB)

    Carruthers, P.A.

    1976-02-01

    This report presents an overview of the activities in the Theoretical Division and a summary of research highlights during FY 1975. It is intended to inform a wide audience about the theoretical work of the LASL and, therefore, contains introductory material which places recent advances in a broader context. The report is organized into two special interest reports: reactor safety research and the Advanced Research Committee, and 11 reports from the T-Division group leaders on the work of their respective groups. Main interests and responsibilities are outlined including the relationship of the group's work to the work of other T-Division groups and other divisions at the Laboratory. The description of research highlights for FY 1975 explains in a fairly simple, straightforward manner the major recent advances and their significance. Each group report is followed by a publication list for FY 1975 (330 references) and a list of talks given outside the Laboratory (140 references). 29 figures. (auth)

  12. Comparison between theoretical predictions and tracking

    International Nuclear Information System (INIS)

    Ruggiero, A.G.

    1985-01-01

    The beam-beam interaction in a proton-antiproton collider has been an outstanding issue for a long time. Several theoretical predictions have been made in the past which range from the appearance of single beam-beam driven resonances to the onset of stochasticity and Arnold diffusion and the presence of chaotic trajectories. All these effects would cause a limit on the maximum strength of the beam-beam interaction, the so called beam-beam tune-shift, and speculative values have been offered ranging from as low as 0.0005 to as large as a fraction of unit. The lower limit could be caused in a more complicated situation where the external focussing forces which keep the two beams in the same storage ring are also modulated in time. These theoretical predictions have been compared with extensive computer tracking where the motion of the particles is followed turn after turn over very long periods of time. Though it is indeed possible to observe the formation of several resonances, nevertheless the onset of connected stochasticity seems to occur at too large beam-beam tune-shift to be of any practical relevance. Moreover no Arnold diffusion has been observed to have any practical significance. Chaotic trajectories have been found to embed the phase space in disconnected regions of appreciable extension. They increase in numbers considerably when time modulation of external focussing forces is added. 15 refs., 18 figs

  13. Organisational Learning: Theoretical Shortcomings and Practical Challenges

    Directory of Open Access Journals (Sweden)

    Jon Aarum Andersen

    2014-05-01

    Full Text Available This paper addresses two problems related to learning and the use of knowledge at work. The first problem is the theoretical shortcomings stemming from the controversy between three different concepts of ‘organisational learning.’ In order to enhance scholarship in this field the notion that organisations - as organisations - can learn need to be rejected for theoretical and empirical reasons. The metaphorical use of ‘organisational learning’ creates only confusion. Learning is a process and knowledge is the outcome of that process. It is argued that learning and knowledge is only related to individuals. Knowledge is thus the individual capability to draw distinctions, within a domain of action, based on an appreciation of context or theory. Consequently, knowledge becomes organisational when it is created, developed and transmitted to other individuals in the organisation. In a strict sense knowledge becomes organisational when employees use it and act based on generalisations due to the rules and procedures found in their organisation. The gravest problem is practical challenges due to the fact that the emphasis on learning, knowledge and competence of the working force do not materialize in the application of the knowledge acquired. It is evident that employees do not use their increased knowledge. However, we do not know why they do not use it. An enormous waste of money is spent on learning and knowledge in organisations which does not yield what is expected. How can managers act in order to enhance the application of increased knowledge possessed by the workforce?

  14. Empathy and child neglect: a theoretical model.

    Science.gov (United States)

    De Paul, Joaquín; Guibert, María

    2008-11-01

    To present an explanatory theory-based model of child neglect. This model does not address neglectful behaviors of parents with mental retardation, alcohol or drug abuse, or severe mental health problems. In this model parental behavior aimed to satisfy a child's need is considered a helping behavior and, as a consequence, child neglect is considered as a specific type of non-helping behavior. The central hypothesis of the theoretical model presented here suggests that neglectful parents cannot develop the helping response set to care for their children because the observation of a child's signal of need does not lead to the experience of emotions that motivate helping or because the parents experience these emotions, but specific cognitions modify the motivation to help. The present theoretical model suggests that different typologies of neglectful parents could be developed based on different reasons that parents might not to experience emotions that motivate helping behaviors. The model can be helpful to promote new empirical studies about the etiology of different groups of neglectful families.

  15. Theoretical and practical significance of formal reasoning

    Science.gov (United States)

    Linn, Marcia C.

    Piaget's theory has profoundly influenced science education research. Following Piaget, researchers have focused on content-free strategies, developmentally based mechanisms, and structural models of each stage of reasoning. In practice, factors besides those considered in Piaget's theory influence whether or not a theoretically available strategy is used. Piaget's focus has minimized the research attention placed on what could be called practical factors in reasoning. Practical factors are factors that influence application of a theoretically available strategy, for example, previous experience with the task content, familiarity with task instructions, or personality style of the student. Piagetian theory has minimized the importance of practical factors and discouraged investigation of (1) the role of factual knowledge in reasoning, (2) the diagnosis of specific, task-based errors in reasoning, (3) the influence of individual aptitudes on reasoning (e.g., field dependence-independence), and (4) the effect of educational interventions designed to change reasoning. This article calls for new emphasis on practical factors in reasoning and suggests why research on practical factors in reasoning will enhance our understanding of how scientific reasoning is acquired and of how science education programs can foster it.

  16. Theoretical perspective for baryon number violation

    International Nuclear Information System (INIS)

    Langacker, P.

    1982-01-01

    In this talk I describe the theoretical predictions for proton decay and other baryon number violating processes, emphasizing that there are many models and theories involving baryon number violation and that it is an experimental problem to distinguish between them. I first review the the theoretical predictions for the unification mass M/sub X/ and for the weak angle sin 2 theta/sub W/. It will be seen that the class of models involving an Su 3 x SU 2 x U 1 invariant desert between M/sub W/ and M/sub X/ are strongly favored. I then turn to baryon number violation. The proton lifetime and branching ratio predictions for the SU 5 and other 3-2-1 desert models are reviewed, with emphasis on distinguishing between models and on the implications of the small value of the QCD parameter lambda/sub anti MS/ that seems to be favored by the data. I then discuss the consequences of low energy supersymmetry for proton decay, nuclear effects, and models with low mass scales. Finally, I mention possible implications of the anomalously large flux of cosmic ray antiprotons that has recently been reported

  17. Nanoscale thermal transport: Theoretical method and application

    Science.gov (United States)

    Zeng, Yu-Jia; Liu, Yue-Yang; Zhou, Wu-Xing; Chen, Ke-Qiu

    2018-03-01

    With the size reduction of nanoscale electronic devices, the heat generated by the unit area in integrated circuits will be increasing exponentially, and consequently the thermal management in these devices is a very important issue. In addition, the heat generated by the electronic devices mostly diffuses to the air in the form of waste heat, which makes the thermoelectric energy conversion also an important issue for nowadays. In recent years, the thermal transport properties in nanoscale systems have attracted increasing attention in both experiments and theoretical calculations. In this review, we will discuss various theoretical simulation methods for investigating thermal transport properties and take a glance at several interesting thermal transport phenomena in nanoscale systems. Our emphasizes will lie on the advantage and limitation of calculational method, and the application of nanoscale thermal transport and thermoelectric property. Project supported by the Nation Key Research and Development Program of China (Grant No. 2017YFB0701602) and the National Natural Science Foundation of China (Grant No. 11674092).

  18. Theoretical and computational analyses of LNG evaporator

    Science.gov (United States)

    Chidambaram, Palani Kumar; Jo, Yang Myung; Kim, Heuy Dong

    2017-04-01

    Theoretical and numerical analysis on the fluid flow and heat transfer inside a LNG evaporator is conducted in this work. Methane is used instead of LNG as the operating fluid. This is because; methane constitutes over 80% of natural gas. The analytical calculations are performed using simple mass and energy balance equations. The analytical calculations are made to assess the pressure and temperature variations in the steam tube. Multiphase numerical simulations are performed by solving the governing equations (basic flow equations of continuity, momentum and energy equations) in a portion of the evaporator domain consisting of a single steam pipe. The flow equations are solved along with equations of species transport. Multiphase modeling is incorporated using VOF method. Liquid methane is the primary phase. It vaporizes into the secondary phase gaseous methane. Steam is another secondary phase which flows through the heating coils. Turbulence is modeled by a two equation turbulence model. Both the theoretical and numerical predictions are seen to match well with each other. Further parametric studies are planned based on the current research.

  19. Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Allen, Wesley D. [University of Georgia, Department of Chemistry and Center for Computational Quantum Chemistry; Schaefer, Henry F. [University of Georgia, Center for Computational Quantum Chemistry

    2018-04-08

    The research program supported by this DOE grant carried out both methodological development and computational applications of first-principles theoretical chemistry based on quantum mechanical wavefunctions, as directed toward understanding and harnessing the fundamental chemical physics of combustion. To build and refine the world’s database of thermochemistry, spectroscopy, and chemical kinetics, predictive and definitive computational methods are needed that push the envelope of modern electronic structure theory. The application of such methods has been made to gain comprehensive knowledge of the paradigmatic reaction networks by which the n- and i-propyl, t-butyl, and n-butyl radicals are oxidized by O2. Numerous ROO and QOOH intermediates in these R + O2 reaction systems have been characterized along with the interconnecting isomerization transition states and the barriers leading to fragmentation. Other combustion-related intermediates have also been studied, including methylsulfinyl radical, cyclobutylidene, and radicals derived from acetaldehyde and vinyl alcohol. Theoretical advances have been achieved and made available to the scientific community by implementation into PSI4, an open-source electronic structure computer package emphasizing automation, advanced libraries, and interoperability. We have pursued the development of universal explicitly correlated methods applicable to general electronic wavefunctions, as well as a framework that allows multideterminant reference functions to be expressed as a single determinant from quasiparticle operators. Finally, a rigorous analytical tool for correlated wavefunctions has been created to elucidate dispersion interactions, which play essential roles in many areas of chemistry, but whose effects are often masked and enigmatic. Our research decomposes and analyzes the coupled-cluster electron correlation energy in molecular systems as a function of interelectronic distance. Concepts

  20. Numerical and theoretical investigations of resistive drift wave turbulence

    International Nuclear Information System (INIS)

    Sunn Pedersen, T.

    1995-07-01

    With regard to the development of thermonuclear fusion utilizing a plasma confined in a magnetic field, anomalous transport is a major problem and is considered to be caused by electrostatic drift wave turbulence. A simplified quasi-two-dimensional slab model of resistive drift wave turbulence is investigated numerically and theoretically. The model (Hasegawa and Wakatani), consists of two nonlinear partial differential equations for the density perturbation n and the electrostatic potential perturbation φ. It includes the effect of a background density gradient perpendicular to the magnetic field and a generalized Ohm's law for the electrons in the direction parallel to the magnetic field. It may be used to model the basic features of electrostatic turbulence and the associated transport in an edge plasma. Model equations are derived and some important properties of the system are discussed. It is described how the Fourier spectral method is applied to the Hasegawa-Wakatani equations, how the time integration is developed to ensure accurate and fast simulations in a large parameter regime, and how the accuracy of the code is checked. Numerical diagnostics are developed to verify and extend the results in publications concerning quasi-stationary turbulent states and to give an overview of the properties of the quasi-stationary turbulent state. The use of analysis tools, not previously applied to the Hasegawa-Wakatani system, and the results obtained are described. Fluid particles are tracked to obtain Lagrangian statistics for the turbulence. A new theoretical analysis of relative dispersion leads to a decomposition criterion for the particles. The significance of this is investigated numerically and characteristic time scales for particles are determined for a range of parameter values. It is indicated that the turbulent state can be characterized in the context of nonlinear dynamics and chaos theory as an attractor with a large basin of attraction. The basic

  1. NMR relaxation induced by iron oxide particles: testing theoretical models.

    Science.gov (United States)

    Gossuin, Y; Orlando, T; Basini, M; Henrard, D; Lascialfari, A; Mattea, C; Stapf, S; Vuong, Q L

    2016-04-15

    Superparamagnetic iron oxide particles find their main application as contrast agents for cellular and molecular magnetic resonance imaging. The contrast they bring is due to the shortening of the transverse relaxation time T 2 of water protons. In order to understand their influence on proton relaxation, different theoretical relaxation models have been developed, each of them presenting a certain validity domain, which depends on the particle characteristics and proton dynamics. The validation of these models is crucial since they allow for predicting the ideal particle characteristics for obtaining the best contrast but also because the fitting of T 1 experimental data by the theory constitutes an interesting tool for the characterization of the nanoparticles. In this work, T 2 of suspensions of iron oxide particles in different solvents and at different temperatures, corresponding to different proton diffusion properties, were measured and were compared to the three main theoretical models (the motional averaging regime, the static dephasing regime, and the partial refocusing model) with good qualitative agreement. However, a real quantitative agreement was not observed, probably because of the complexity of these nanoparticulate systems. The Roch theory, developed in the motional averaging regime (MAR), was also successfully used to fit T 1 nuclear magnetic relaxation dispersion (NMRD) profiles, even outside the MAR validity range, and provided a good estimate of the particle size. On the other hand, the simultaneous fitting of T 1 and T 2 NMRD profiles by the theory was impossible, and this occurrence constitutes a clear limitation of the Roch model. Finally, the theory was shown to satisfactorily fit the deuterium T 1 NMRD profile of superparamagnetic particle suspensions in heavy water.

  2. A theoretical derivation of the Hoek–Brown failure criterion for rock materials

    Directory of Open Access Journals (Sweden)

    Jianping Zuo

    2015-08-01

    Full Text Available This study uses a three-dimensional crack model to theoretically derive the Hoek–Brown rock failure criterion based on the linear elastic fracture theory. Specifically, we argue that a failure characteristic factor needs to exceed a critical value when macro-failure occurs. This factor is a product of the micro-failure orientation angle (characterizing the density and orientation of damaged micro-cracks and the changing rate of the angle with respect to the major principal stress (characterizing the microscopic stability of damaged cracks. We further demonstrate that the factor mathematically leads to the empirical Hoek–Brown rock failure criterion. Thus, the proposed factor is able to successfully relate the evolution of microscopic damaged crack characteristics to macro-failure. Based on this theoretical development, we also propose a quantitative relationship between the brittle–ductile transition point and confining pressure, which is consistent with experimental observations.

  3. Entropy Characterization of Random Network Models

    Directory of Open Access Journals (Sweden)

    Pedro J. Zufiria

    2017-06-01

    Full Text Available This paper elaborates on the Random Network Model (RNM as a mathematical framework for modelling and analyzing the generation of complex networks. Such framework allows the analysis of the relationship between several network characterizing features (link density, clustering coefficient, degree distribution, connectivity, etc. and entropy-based complexity measures, providing new insight on the generation and characterization of random networks. Some theoretical and computational results illustrate the utility of the proposed framework.

  4. Economic Growth of a Rapidly Developing Economy: Theoretical Formulation

    Directory of Open Access Journals (Sweden)

    Oleg Sergeyevich Sukharev

    2016-06-01

    Full Text Available The subject matter of the article is the description of economic growth. Modern economy is characterized by a high rate of changes. These changes are the limiting parameters of modern development, which requires a modification of the basic models of growth, the substantiation of the expediency and necessity of a rapid development strategy. In a simple mathematical form, the statement of the problem of economic growth in the “green economy” is examined, in which the costs of environmental measures are not considered a priori as hampering economic development (as it is common for a number of modern neoclassical and neo-Keynesian growth models. The methodological basis of the article are the econometric approach and modelling method. The article has a theoretical character. The main hypothesis supposes that the rapid development strategy cannot make an adequate development strategy under certain conditions, but may be acceptable in other its specific conditions. In this sense, the important growth conditions are the availability of resources, the effectiveness of institutions and the current economic structure, the technological effectiveness of economy, as well as the conditions of technological development (“green economy” and the path of such development. In the article, on the theoretical level of analysis, the substantiation of the adequacy of the rapid development strategy for an economic system is given, whose goal is to achieve the standard of living of the countryleader. Based on the assumptions introduced, the period for which the rapid development strategy might be implemented and the economic lag of the country might be reduced from the country-leader is determined. The conditions that ensure the impact of innovations on the rate of economic development are summarized. The introduced range of dependencies and relations can be useful for the elaboration of the theory of innovation development and for the formation of a new

  5. Black hole state counting in loop quantum gravity: a number-theoretical approach.

    Science.gov (United States)

    Agulló, Iván; Barbero G, J Fernando; Díaz-Polo, Jacobo; Fernández-Borja, Enrique; Villaseñor, Eduardo J S

    2008-05-30

    We give an efficient method, combining number-theoretic and combinatorial ideas, to exactly compute black hole entropy in the framework of loop quantum gravity. Along the way we provide a complete characterization of the relevant sector of the spectrum of the area operator, including degeneracies, and explicitly determine the number of solutions to the projection constraint. We use a computer implementation of the proposed algorithm to confirm and extend previous results on the detailed structure of the black hole degeneracy spectrum.

  6. Theoretical study of hyperfine fields due to S-P and transition impurities in gadolinium matrix

    International Nuclear Information System (INIS)

    Santos Leal, C.E. dos.

    1985-01-01

    This work presents a systematic theoretical study for the hyperfine field due to diluted s-p-and transition impurities in metallic gadolinium matrices. The peculiarities de a gadolinium matrix are shown, they are characterized by a semi-completed 4f-shell, which is far from (below) the energetic levels such as the type s-p and d-conduction bands. (author)

  7. An exploratory game-theoretic analysis of biomass electricity generation supply chain

    International Nuclear Information System (INIS)

    Nasiri, Fuzhan; Zaccour, Georges

    2009-01-01

    This study proposes a game-theoretic approach to model and analyze the process of utilizing biomass for power generation considering three players: distributor, facility developer, and participating farmer. We characterize the Nash equilibrium of the sequential game and discuss its features. A special attention is devoted to the analysis of the impact of incentives and initial target on the equilibrium, in which the biomass is part of electricity production.

  8. Theoretical studies on aerosol agglomeration processes

    Energy Technology Data Exchange (ETDEWEB)

    Lehtinen, K.E.J. [VTT Energy, Espoo (Finland). Energy Use

    1997-12-31

    In this thesis, theoretical modeling of certain aerosol systems has been presented. At first, the aerosol general dynamic equation is introduced, along with a discretization routine for its numerical solution. Of the various possible phenomena affecting aerosol behaviour, this work is mostly focused on aerosol agglomeration. The fundamentals of aerosol agglomeration theory are thus briefly reviewed. The two practical applications of agglomeration studied in this thesis are flue gas cleaning using an electrical agglomerator and nanomaterial synthesis with a free jet reactor. In an electrical agglomerator the aerosol particles are charged and brought into an alternating electric field. The aim is to remove submicron particles from flue gases by collisions with larger particles before conventional gas cleaning devices that have a clear penetration window in the problematic 0.1-1{mu}m size range. A mathematical model was constructed to find out the effects of the different system parameters on the agglomerator`s performance. A crucial part of this task was finding out the collision efficiencies of particles of varying size and charge. The original idea was to use unipolar charging of the particles, and a laboratory scale apparatus was constructed for this purpose. Both theory and experiments clearly show that significant removal of submicron particles can not be achieved by such an arrangement. The theoretical analysis further shows that if the submicron particles and the large collector particles were charged with opposite polarity, significant removal of the submicron particles could be obtained. The second application of agglomeration considered in this thesis is predicting/controlling nanoparticle size in the gas-to-particle aerosol route to material synthesis. In a typical material reactor, a precursor vapor reacts to form molecules of the desired material. In a cooling environment, a particulate phase forms, the dynamics of which are determined by the rates of

  9. Theoretical studies on aerosol agglomeration processes

    Energy Technology Data Exchange (ETDEWEB)

    Lehtinen, K E.J. [VTT Energy, Espoo (Finland). Energy Use

    1998-12-31

    In this thesis, theoretical modeling of certain aerosol systems has been presented. At first, the aerosol general dynamic equation is introduced, along with a discretization routine for its numerical solution. Of the various possible phenomena affecting aerosol behaviour, this work is mostly focused on aerosol agglomeration. The fundamentals of aerosol agglomeration theory are thus briefly reviewed. The two practical applications of agglomeration studied in this thesis are flue gas cleaning using an electrical agglomerator and nanomaterial synthesis with a free jet reactor. In an electrical agglomerator the aerosol particles are charged and brought into an alternating electric field. The aim is to remove submicron particles from flue gases by collisions with larger particles before conventional gas cleaning devices that have a clear penetration window in the problematic 0.1-1{mu}m size range. A mathematical model was constructed to find out the effects of the different system parameters on the agglomerator`s performance. A crucial part of this task was finding out the collision efficiencies of particles of varying size and charge. The original idea was to use unipolar charging of the particles, and a laboratory scale apparatus was constructed for this purpose. Both theory and experiments clearly show that significant removal of submicron particles can not be achieved by such an arrangement. The theoretical analysis further shows that if the submicron particles and the large collector particles were charged with opposite polarity, significant removal of the submicron particles could be obtained. The second application of agglomeration considered in this thesis is predicting/controlling nanoparticle size in the gas-to-particle aerosol route to material synthesis. In a typical material reactor, a precursor vapor reacts to form molecules of the desired material. In a cooling environment, a particulate phase forms, the dynamics of which are determined by the rates of

  10. Theoretical physics 6 quantum mechanics : basics

    CERN Document Server

    Nolting, Wolfgang

    2017-01-01

    This textbook offers a clear and comprehensive introduction to the basics of quantum mechanics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series, thus developing the physical understanding further on to quantized states. The first part of the book introduces wave equations while exploring the Schrödinger equation and the hydrogen atom. More complex themes are covered in the second part of the book, which describes the Dirac formulism of quantum mechanics. Ideally suited to undergraduate students with some grounding in classical mechanics and electrodynamics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this...

  11. Theoretical and methodological approaches in discourse analysis.

    Science.gov (United States)

    Stevenson, Chris

    2004-01-01

    Discourse analysis (DA) embodies two main approaches: Foucauldian DA and radical social constructionist DA. Both are underpinned by social constructionism to a lesser or greater extent. Social constructionism has contested areas in relation to power, embodiment, and materialism, although Foucauldian DA does focus on the issue of power Embodiment and materialism may be especially relevant for researchers of nursing where the physical body is prominent. However, the contested nature of social constructionism allows a fusion of theoretical and methodological approaches tailored to a specific research interest. In this paper, Chris Stevenson suggests a framework for working out and declaring the DA approach to be taken in relation to a research area, as well as to aid anticipating methodological critique. Method, validity, reliability and scholarship are discussed from within a discourse analytic frame of reference.

  12. Solar pond conception - experimental and theoretical studies

    Energy Technology Data Exchange (ETDEWEB)

    Kurt, Huseyin [Zonguldak Karaelmas Univ., Technical Education Faculty, Karabuk (Turkey); Halici, Fethi [Sakarya Univ., Mechanical Engineering Dept., Adapazari (Turkey); Binark, A. Korhan [Marmara Univ., Technical Education Faculty, Istanbul (Turkey)

    2000-07-01

    A one dimensional transient mathematical model for predicting the thermal performance of the salt gradient solar pond is developed and presented. In this paper, the natural solar ponds and different artificial solar pond systems found in the literature are introduced. Necessary modifications are made on the experimental stand located in Istanbul Technical University, the experimental stand is introduced and natural phenomena produced in the pond by the different solar pond variations under natural conditions are observed. In the theoretical work based on a one dimensional unsteady state heat conduction model with internal heat generation, the energy and mass balance equations for the upper convective zone, the non-convective zone and the lower convective zone, all of which form the solar pond, are written in terms of differential equations. These equations are solved analytically and numerically. The results obtained from the analysis are compared with the experimental results. The temperature and the concentration profiles are separately presented in the figures. (Author)

  13. Game theoretical framework in determining house prices

    Science.gov (United States)

    Saiddin, Nor Syuhadah; Zaibidi, Nerda Zura; Sulaiman, Nor Intan Saniah; Abidin, Norhaslinda Zainal

    2017-11-01

    Housing is a vital component in world's economic development as it provides big contribution of the wealth. The issue of high house prices, worrying several parties, especially middle income buyers in Malaysia. Basically, in housing, there are three main parties involved; buyer, property developer and government. Interaction between those parties will give an impact to the housing market, specifically house prices. The complexity of the interaction has increased due to the differences in each party's preferences and interest. In this research, the main objective is to develop the framework of the interactions among those parties using game theoretical approach. To do so, the preferences and target of each party are investigated and their constraints are established. From the framework, it offers some ideas on how the interaction occurs and how it affect the house prices.

  14. Corporate social responsibility audit: Theoretical aspects

    Directory of Open Access Journals (Sweden)

    Artem Koldovskyi

    2015-08-01

    Full Text Available This paper puts a conceptual framework to outline research for corporate social responsibility (CSR audit based on the analysis of current CRS literature and audit models as implementation of CSR. It is intended to make clear the phenomena about the relationship between audit, implementation of business ethics principles and corporate governance. However, most studies do not take into account modify CSR audit. This paper reports part of a research we carried out on the theoretical interpretation of the corporate social responsibility audit. This paper examines the corporate social responsibility audit as a composition of four categories - management system audits, on-site audits, verbal probability expressions (VPE audits and technology audits. The paper concludes suggests to systematize multiple audits so that they can be conduct in three types of audits - environmental management audits covering in-house companies, environmental technology audits of products, and environmental audits of sites, including non-manufacturing sites and non-consolidated subsidiaries.

  15. POSITIVE LEADERSHIP MODELS: THEORETICAL FRAMEWORK AND RESEARCH

    Directory of Open Access Journals (Sweden)

    Javier Blanch, Francisco Gil

    2016-09-01

    Full Text Available The objective of this article is twofold; firstly, we establish the theoretical boundaries of positive leadership and the reasons for its emergence. It is related to the new paradigm of positive psychology that has recently been shaping the scope of organizational knowledge. This conceptual framework has triggered the development of the various forms of positive leadership (i.e. transformational, servant, spiritual, authentic, and positive. Although the construct does not seem univocally defined, these different types of leadership overlap and share a significant affinity. Secondly, we review the empirical evidence that shows the impact of positive leadership in organizations and we highlight the positive relationship between these forms of leadership and key positive organizational variables. Lastly, we analyse future research areas in order to further develop this concept.

  16. Theoretically palatable flavor combinations of astrophysical neutrinos

    International Nuclear Information System (INIS)

    Bustamante, Mauricio

    2015-07-01

    The flavor composition of high-energy astrophysical neutrinos can reveal the physics governing their production, propagation, and interaction. The IceCube Collaboration has published the first experimental determination of the ratio of the flux in each flavor to the total. We present, as a theoretical counterpart, new results for the allowed ranges of flavor ratios at Earth for arbitrary flavor ratios in the sources. Our results will allow IceCube to more quickly identify when their data imply standard physics, a general class of new physics with arbitrary (incoherent) combinations of mass eigenstates, or new physics that goes beyond that, e.g., with terms that dominate the Hamiltonian at high energy.

  17. Game-Theoretic Learning in Distributed Control

    KAUST Repository

    Marden, Jason R.

    2018-01-05

    In distributed architecture control problems, there is a collection of interconnected decision-making components that seek to realize desirable collective behaviors through local interactions and by processing local information. Applications range from autonomous vehicles to energy to transportation. One approach to control of such distributed architectures is to view the components as players in a game. In this approach, two design considerations are the components’ incentives and the rules that dictate how components react to the decisions of other components. In game-theoretic language, the incentives are defined through utility functions, and the reaction rules are online learning dynamics. This chapter presents an overview of this approach, covering basic concepts in game theory, special game classes, measures of distributed efficiency, utility design, and online learning rules, all with the interpretation of using game theory as a prescriptive paradigm for distributed control design.

  18. Studies in Theoretical and Applied Statistics

    CERN Document Server

    Pratesi, Monica; Ruiz-Gazen, Anne

    2018-01-01

    This book includes a wide selection of the papers presented at the 48th Scientific Meeting of the Italian Statistical Society (SIS2016), held in Salerno on 8-10 June 2016. Covering a wide variety of topics ranging from modern data sources and survey design issues to measuring sustainable development, it provides a comprehensive overview of the current Italian scientific research in the fields of open data and big data in public administration and official statistics, survey sampling, ordinal and symbolic data, statistical models and methods for network data, time series forecasting, spatial analysis, environmental statistics, economic and financial data analysis, statistics in the education system, and sustainable development. Intended for researchers interested in theoretical and empirical issues, this volume provides interesting starting points for further research.

  19. Theoretical and methodological approaches in discourse analysis.

    Science.gov (United States)

    Stevenson, Chris

    2004-10-01

    Discourse analysis (DA) embodies two main approaches: Foucauldian DA and radical social constructionist DA. Both are underpinned by social constructionism to a lesser or greater extent. Social constructionism has contested areas in relation to power, embodiment, and materialism, although Foucauldian DA does focus on the issue of power. Embodiment and materialism may be especially relevant for researchers of nursing where the physical body is prominent. However, the contested nature of social constructionism allows a fusion of theoretical and methodological approaches tailored to a specific research interest. In this paper, Chris Stevenson suggests a frame- work for working out and declaring the DA approach to be taken in relation to a research area, as well as to aid anticipating methodological critique. Method, validity, reliability and scholarship are discussed from within a discourse analytic frame of reference.

  20. Molecular physics. Theoretical principles and experimental methods

    International Nuclear Information System (INIS)

    Demtroeder, W.

    2005-01-01

    This advanced textbook comprehensively explains important principles of diatomic and polyatomic molecules and their spectra in two separate, distinct parts. The first part concentrates on the theoretical aspects of molecular physics, whereas the second part of the book covers experimental techniques, i.e. laser, Fourier, NMR, and ESR spectroscopies, used in the fields of physics, chemistry, biolog, and material science. Appropriate for undergraduate and graduate students in physics and chemistry with a knowledge of atomic physics and familiar with the basics of quantum mechanics. From the contents: - Electronic States of Molecules, - Rotation, Oscillation and Potential Curves of Diatomic Molecules, - The Spectra of Diatomic Molecules, - Molecule Symmetries and Group Theory, - Rotation and Oscillations of Polyatomic Molecules, - Electronic States of Polyatomic Molecules, - The Spectra of Polyatomic Molecules, - Collapse of the Born-Oppenheimer-Approximation, Disturbances in Molecular Spectra, - Molecules in Disturbing Fields, - Van-der-Waals-Molecules and Cluster, - Experimental Techniques in Molecular Physics. (orig.)

  1. Chemical graph-theoretic cluster expansions

    International Nuclear Information System (INIS)

    Klein, D.J.

    1986-01-01

    A general computationally amenable chemico-graph-theoretic cluster expansion method is suggested as a paradigm for incorporation of chemical structure concepts in a systematic manner. The cluster expansion approach is presented in a formalism general enough to cover a variety of empirical, semiempirical, and even ab initio applications. Formally such approaches for the utilization of chemical structure-related concepts may be viewed as discrete analogues of Taylor series expansions. The efficacy of the chemical structure concepts then is simply bound up in the rate of convergence of the cluster expansions. In many empirical applications, e.g., boiling points, chromatographic separation coefficients, and biological activities, this rate of convergence has been observed to be quite rapid. More note will be made here of quantum chemical applications. Relations to questions concerning size extensivity of energies and size consistency of wave functions are addressed

  2. Theoretical model of polar cap auroral arcs

    International Nuclear Information System (INIS)

    Kan, J.R.; Burke, W.J.; USAF, Bedford, MA)

    1985-01-01

    A theory of the polar cap auroral arcs is proposed under the assumption that the magnetic field reconnection occurs in the cusp region on tail field lines during northward interplanetary magnetic field (IMF) conditions. Requirements of a convection model during northward IMF are enumerated based on observations and fundamental theoretical considerations. The theta aurora can be expected to occur on the closed field lines convecting sunward in the central polar cap, while the less intense regular polar cap arcs can occur either on closed or open field lines. The dynamo region for the polar cap arcs is required to be on closed field lines convecting tailward in the plasma sheet which is magnetically connected to the sunward convection in the central polar cap. 43 references

  3. [Aromatherapy and nursing: historical and theoretical conception].

    Science.gov (United States)

    Gnatta, Juliana Rizzo; Kurebayashi, Leonice Fumiko Sato; Turrini, Ruth Natalia Teresa; Silva, Maria Júlia Paes da

    2016-02-01

    Aromatherapy is a Practical or Complementary Health Therapy that uses volatile concentrates extracted from plants called essential oils, in order to improve physical, mental and emotional well-being. Aromatherapy has been practiced historically and worldwide by nurses and, as in Brazil is supported by the Federal Nursing Council, it is relevant to discuss this practice in the context of Nursing through Theories of Nursing. This study of theoretical reflection, exploratory and descriptive, aims to discuss the pharmacognosy of essential oils, the historical trajectory of Aromatherapy in Nursing and the conceptions to support Aromatherapy in light of eight Nursing Theorists (Florence Nightingale, Myra Levine, Hildegard Peplau, Martha Rogers, Callista Roy, Wanda Horta, Jean Watson and Katharine Kolcaba), contributing to its inclusion as a nursing care practice.

  4. QCD-instantons at LHC. Theoretical aspects

    International Nuclear Information System (INIS)

    Petermann, M.

    2007-06-01

    Instantons are nonperturbative, topologically nontrivial field configurations, which occur in every nonabelian gauge theory. They can be understood as tunneling processes between topologically distinct vacua. Although being a basic theoretical aspect of the Standard Model, a direct experimental verification of instanton processes is still lacking. In this thesis the general discovery potential for QCD-instantons at the LHC is studied in detail by means of instanton perturbation theory. In this context the close correspondence between the leading instanton induced processes at HERA and at LHC becomes important. Essential aspects and differences to deep inelastic scattering can already be revealed by studying the simplest process. Based on these results inclusive cross sections are calculated including the emission of final state gluons. Compared to deep inelastic scattering, a large enhancement of the cross section is found. (orig.)

  5. A theoretical interpretation of EPR and ENDOR

    International Nuclear Information System (INIS)

    Matos, M.O.M. de.

    1975-08-01

    To interpret the EPR and ENDOR results of the U 2 center in SrF 2 , two wavefunctions are proposed to describe the unpaired electron of the defect. Use is made of two different models in order to obtain the wavefunctions: the Heitler-London and that of molecular orbitals models. The Pauli repulsion (overlap of wavefunctions) is discussed as well as covalency mechanisms and their influence in the calculation of the hyperfine constants due to magnetic interaction of the unpaired electron and the magnetic nucleus of the cristal. A small amount of covalency between the ground state of the interstitial Hydrogen atom and the 2p shell of the F - ions of the first cristaline shell is introduced fenomenologically in the molecular orbitals model. Both methods are discussed by comparing the theoretical calculations of the hyperfine constants with the measured experimental values obtained with the EPR and ENDOR techniques. (Author) [pt

  6. Aromatherapy and nursing: historical and theoretical conception

    Directory of Open Access Journals (Sweden)

    Juliana Rizzo Gnatta

    2016-02-01

    Full Text Available Abstract Aromatherapy is a Practical or Complementary Health Therapy that uses volatile concentrates extracted from plants called essential oils, in order to improve physical, mental and emotional well-being. Aromatherapy has been practiced historically and worldwide by nurses and, as in Brazil is supported by the Federal Nursing Council, it is relevant to discuss this practice in the context of Nursing through Theories of Nursing. This study of theoretical reflection, exploratory and descriptive, aims to discuss the pharmacognosy of essential oils, the historical trajectory of Aromatherapy in Nursing and the conceptions to support Aromatherapy in light of eight Nursing Theorists (Florence Nightingale, Myra Levine, Hildegard Peplau, Martha Rogers, Callista Roy, Wanda Horta, Jean Watson and Katharine Kolcaba, contributing to its inclusion as a nursing care practice.

  7. Activation therapy: theoretical and applied aspects

    Directory of Open Access Journals (Sweden)

    Oleg I. Kit

    2015-11-01

    Full Text Available The paper presents a brief review on how some concepts on the organism general adaptational reactions developed, including their role in increasing the unspecific resistance in the organism. Demonstrated is periodicity of the patterns of anti-stressor type reactions (training, calm and elevated activation and stress in a wide range of stimulation values. The concepts on the organism adaptational reactions and reactivity levels have created the theoretical basis for practical applications of the activation therapy aimed at health improvement, prevention and treatment of various diseases, including oncology. Evidence data on the applications of the activation therapy as a promising approach to the organism state control are confirmed by the originators of this scientific discovery, their followers and medical experts.

  8. The odderon: theoretical status and experimental tests

    Energy Technology Data Exchange (ETDEWEB)

    Ewerz, C. [Milano Univ., Dipt. di Fisica, and INFN (Italy); ECT, Trento (Italy)

    2005-07-01

    In QCD the odderon can be formed by 3 gluons in a symmetric color state. According to our understanding of high energy scattering based on the picture of gluon exchanges, the existence of the odderon is very likely. Surprisingly through, the experimental evidence for it is rather weak. Especially exclusive reactions that can be caused only by the odderon offer good chances to finally establish its existence. In perturbative QCD the odderon is under rather good control. It is already by itself a very interesting object from a theoretical point of view. It further is an important ingredient in effective theories of high energy scattering that are currently discussed. New insight into the behaviour of the non-perturbative odderon can be expected from lattice studies of glueball trajectories.

  9. A Game Theoretic Model of Thermonuclear Cyberwar

    Energy Technology Data Exchange (ETDEWEB)

    Soper, Braden C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-08-23

    In this paper we propose a formal game theoretic model of thermonuclear cyberwar based on ideas found in [1] and [2]. Our intention is that such a game will act as a first step toward building more complete formal models of Cross-Domain Deterrence (CDD). We believe the proposed thermonuclear cyberwar game is an ideal place to start on such an endeavor because the game can be fashioned in a way that is closely related to the classical models of nuclear deterrence [4–6], but with obvious modifications that will help to elucidate the complexities introduced by a second domain. We start with the classical bimatrix nuclear deterrence game based on the game of chicken, but introduce uncertainty via a left-of-launch cyber capability that one or both players may possess.

  10. The Janus fluid a theoretical perspective

    CERN Document Server

    Fantoni, Riccardo

    2013-01-01

    The state-of-the-art in the theoretical statistical physics treatment of the Janus fluid is reported with a bridge between new research results published in journal articles and a contextual literature review. Recent Monte Carlo simulations on the Kern and Frenkel model of the Janus fluid have revealed that in the vapor phase, below the critical point, there is the formation of preferred inert clusters made up of a well-defined number of particles: the micelles and the vesicles. This is responsible for a re-entrant gas branch of the gas-liquid binodal. Detailed account of this findings are given in the first chapter where the Janus fluid is introduced as a product of new sophisticated synthesis laboratory techniques. In the second chapter a cluster theory is developed to approximate the exact clustering properties stemming from the simulations. It is shown that the theory is able to reproduce semi-quantitatively the micellization phenomenon.

  11. Theoretical proposals in bullying research: a review

    Directory of Open Access Journals (Sweden)

    Silvia Postigo

    2013-05-01

    Full Text Available Four decades of research into peer bullying have produced an extensive body of knowledge. This work attempts to provide an integrative theoretical framework, which includes the specific theories and observations. The main aim is to organize the available knowledge in order to guide the development of effective interventions. To that end, several psychological theories are described that have been used and/or adapted with the aim of understanding peer bullying. All of them, at different ecological levels and different stages of the process, may describe it in terms of the relational dynamics of power. It is concluded that research needs to take this integrative framework into account, that is to say to consider multi-causal and holistic approaches to bullying. For the intervention, regardless of the format or the target population, the empowerment of the individuals, and the social awareness of the use and abuse of personal power are suggested.

  12. Theoretical estimation of Z´ boson mass

    International Nuclear Information System (INIS)

    Maji, Priya; Banerjee, Debika; Sahoo, Sukadev

    2016-01-01

    The discovery of Higgs boson at the LHC brings a renewed perspective in particle physics. With the help of Higgs mechanism, standard model (SM) allows the generation of particle mass. The ATLAS and CMS experiments at the LHC have predicted the mass of Higgs boson as m_H=125-126 GeV. Recently, it is claimed that the Higgs boson might interact with dark matter and there exists relation between the Higgs boson and dark matter (DM). Hertzberg has predicted a correlation between the Higgs mass and the abundance of dark matter. His theoretical result is in good agreement with current data. He has predicted the mass of Higgs boson as GeV. The Higgs boson could be coupled to the particle that constitutes all or part of the dark matter in the universe. Light Z´ boson could have important implications in dark matter phenomenology

  13. How faith heals: a theoretical model.

    Science.gov (United States)

    Levin, Jeff

    2009-01-01

    This paper summarizes theoretical perspectives from psychology supportive of a healing effect of faith. First, faith is defined as a congruence of belief, trust, and obedience in relation to God or the divine. Second, evidence for a faith-healing association is presented, empirically and in theory. To exemplify religiously sanctioned affirmation of such a connection, selected passages are cited from the Jewish canon attesting to biblical and rabbinic support for a faith factor in longevity, disease risk, mental health and well-being, disease prevention, and healing. Third, reference to theories of hope, learned optimism, positive illusions, and opening up or disclosure, and to theory and research on psychoneuroimmunology and placebos, demonstrates that contemporary psychology can accommodate a healing power of faith. This is summarized in a typology of five hypothesized mechanisms underlying a faith-healing association, termed behavioral/conative, interpersonal, cognitive, affective, and psychophysiological. Finally, implications are discussed for the rapprochement of religion and medicine.

  14. Democratic Deliberation Procedures : Theoretical and Practical Issues

    Directory of Open Access Journals (Sweden)

    Tutui Viorel

    2011-01-01

    Full Text Available Abstract : In contemporary political philosophy, the focus of the most important controversies is on the deliberative model of democracy. These controversies concern not only the theoretical problem of providing the best justification for a deliberative model of democratic legitimacy, but also the practical problem of designing the best deliberative procedure that will secure the implementation of deliberative democracy. In this paper I will present and analyze some of the most important deliberative designs: deliberative polls, citizens’ juries, consensus conferences and planning cells. I argue that these deliberative events can have a significant impact on the political behavior of a democratic community. However, I explain that all of them have only a limited influence on the policy-making activities in local and central governing structures. This is the reason why I believe we could only supplement and never fully replace the traditional aggregative procedures of democracy (voting and bargaining with a deliberative design.

  15. Quantum theoretical physics is statistical and relativistic

    International Nuclear Information System (INIS)

    Harding, C.

    1980-01-01

    A new theoretical framework for the quantum mechanism is presented. It is based on a strict deterministic behavior of single systems. The conventional QM equation, however, is found to describe statistical results of many classical systems. It will be seen, moreover, that a rigorous synthesis of our theory requires relativistic kinematics. So, QM is not only a classical statistical theory, it is, of necessity, a relativistic theory. The equation of the theory does not just duplicate QM, it indicates an inherent nonlinearity in QM which is subject to experimental verification. It is shown, therefore, that conventional QM is a corollary of classical deterministic principles. It is suggested that this concept of nature conflicts with that prevalent in modern physics. (author)

  16. Theoretical foundations of shareholders' right to appraisal

    Directory of Open Access Journals (Sweden)

    Vasiljević Mirko

    2017-01-01

    Full Text Available Shareholders' right to appraisal represents a controversial topic of corporation law, which is why a relatively small number of countries accept it. In this article, the authors analyze the goals that are supposed to be achieved with the introduction of shareholders' appraisal rights. In this respect, traditional and modern explanations for the introduction or maintaining of this right have been presented. In the second part of this article, shareholders' right to appraisal has been critically examined, mostly from corporations' perspective. Afterwards, several potential causes of inefficiency of using this right have been identified. Perceiving pros and cons of shareholders' right to appraisal is of particular importance for Serbia, in order to draw a conclusion about harmonization of our legislative solutions with the theoretical foundations of this right.

  17. Research in theoretical nuclear physics: Progress report

    International Nuclear Information System (INIS)

    1988-08-01

    In April 1988 we, along with the nuclear theory groups of Brookhaven and MIT, submitted a proposal to the Department of Energy for a national Institute of Theoretical Nuclear Physics. The primary areas of investigation proposed for this Institute are: Strong Interaction Physics--including (1) The physics of hadrons, (2) QCD and the nucleus, (3) QCD at finite temperatures and high density; nuclear astrophysics; nuclear structure and nuclear many-body theory; and nuclear tests of fundamental interactions. It is, of course, no coincidence that these are the main areas of activity of the three groups involved in this proposal and of our group in particular. Here, we will organize an outline of the progress made at Stony Brook during the past year along these lines. These four areas do not cover all of the activities of our group

  18. Certain number-theoretic episodes in algebra

    CERN Document Server

    Sivaramakrishnan, R

    2006-01-01

    Many basic ideas of algebra and number theory intertwine, making it ideal to explore both at the same time. Certain Number-Theoretic Episodes in Algebra focuses on some important aspects of interconnections between number theory and commutative algebra. Using a pedagogical approach, the author presents the conceptual foundations of commutative algebra arising from number theory. Self-contained, the book examines situations where explicit algebraic analogues of theorems of number theory are available. Coverage is divided into four parts, beginning with elements of number theory and algebra such as theorems of Euler, Fermat, and Lagrange, Euclidean domains, and finite groups. In the second part, the book details ordered fields, fields with valuation, and other algebraic structures. This is followed by a review of fundamentals of algebraic number theory in the third part. The final part explores links with ring theory, finite dimensional algebras, and the Goldbach problem.

  19. Experimental and theoretical high energy physics research

    International Nuclear Information System (INIS)

    1992-01-01

    Progress in the various components of the UCLA High-Energy Physics Research program is summarized, including some representative figures and lists of resulting presentations and published papers. Principal efforts were directed at the following: (I) UCLA hadronization model, PEP4/9 e + e - analysis, bar P decay; (II) ICARUS and astroparticle physics (physics goals, technical progress on electronics, data acquisition, and detector performance, long baseline neutrino beam from CERN to the Gran Sasso and ICARUS, future ICARUS program, and WIMP experiment with xenon), B physics with hadron beams and colliders, high-energy collider physics, and the φ factory project; (III) theoretical high-energy physics; (IV) H dibaryon search, search for K L 0 → π 0 γγ and π 0 ν bar ν, and detector design and construction for the FNAL-KTeV project; (V) UCLA participation in the experiment CDF at Fermilab; and (VI) VLPC/scintillating fiber R ampersand D

  20. A sign-theoretic approach to biotechnology

    DEFF Research Database (Denmark)

    Bruni, Luis Emilio

    ” semiotic networks across hierarchical levels and for relating the different emergent codes in living systems. I consider this an important part of the work because there I define some of the main concepts that will help me to analyse different codes and semiotic processes in living systems in order...... to exemplify what is the relevance of a sign-theoretic approach to biotechnology. In particular, I introduce the notion of digital-analogical consensus as a semiotic pattern for the creation of complex logical products that constitute specific signs. The chapter ends with some examples of conspicuous semiotic...... to exemplify how a semiotic approach can be of help when organising the knowledge that can lead us to understanding the relevance, the role and the position of signal transduction networks in relation to the larger semiotic networks in which they function, i.e.: in the hierarchical formal processes of mapping...

  1. Theoretical mechanics an introduction to mathematical physics

    CERN Document Server

    Sweetman Ames, Joseph

    1958-01-01

    In this book Professors Ames and Murnaghan undertake a mathematically rigorous development of theoretical mechanics from the point of view of modern physics. It gives an intensive survey of this basis field with extensive and extremely thorough discussions of vector and tensor methods, the displacement and motion of a rigid body, dynamics of inertial and non-inertial reference frames, dynamics of a particle, harmonic vibrations, nonrectilinear motion of a particle, central forces and universal gravitation, dynamics of a systems of material particle,impulsive forces, motion of a rigid body about a fixed point, gyroscopic and barygyroscopic theory, general dynamical theorems, vibrations about a point of equilibrium, the principle of least action, holonomic and nonholonomic systems, the principle of least constraint, general methods of integration and the three body problem, the potential function (including simple-layer and double-layer potentials), wave motion, the Lorentz-Einstein transformation and an illumi...

  2. Aperture Array Photonic Metamaterials: Theoretical approaches, numerical techniques and a novel application

    Science.gov (United States)

    Lansey, Eli

    Optical or photonic metamaterials that operate in the infrared and visible frequency regimes show tremendous promise for solving problems in renewable energy, infrared imaging, and telecommunications. However, many of the theoretical and simulation techniques used at lower frequencies are not applicable to this higher-frequency regime. Furthermore, technological and financial limitations of photonic metamaterial fabrication increases the importance of reliable theoretical models and computational techniques for predicting the optical response of photonic metamaterials. This thesis focuses on aperture array metamaterials. That is, a rectangular, circular, or other shaped cavity or hole embedded in, or penetrating through a metal film. The research in the first portion of this dissertation reflects our interest in developing a fundamental, theoretical understanding of the behavior of light's interaction with these aperture arrays, specifically regarding enhanced optical transmission. We develop an approximate boundary condition for metals at optical frequencies, and a comprehensive, analytical explanation of the physics underlying this effect. These theoretical analyses are augmented by computational techniques in the second portion of this thesis, used both for verification of the theoretical work, and solving more complicated structures. Finally, the last portion of this thesis discusses the results from designing, fabricating and characterizing a light-splitting metamaterial.

  3. Inhalation of nanoplatelets - Theoretical deposition simulations.

    Science.gov (United States)

    Sturm, Robert

    2017-12-01

    Primary objective of the contribution was the theoretical prediction of nanoplatelet deposition in the human respiratory tract. Modeling was founded on the hypothetical inhalation of graphene nanoplatelets (GNP) measuring 0.01 and 0.1μm in thickness and adopting a projected area diameter of 1-30μm. Particle uptake was assumed to take place with inhalation flow rates of 250, 500, 750, and 1000cm 3 s -1 , respectively. For an appropriate description of pulmonary particle behavior, transport of GNP in a stochastic lung structure and deposition formulae based on analytical and numerical studies were presupposed. The results obtained from the theoretical approach clearly demonstrate that GNP with a thickness of 0.01μm deposit in the respiratory tract by 20-50%, whereas GNP with a thickness of 0.1μm exhibit a deposition of 20-90%. Larger platelets deposit with higher probability than small ones. Increase of inhalation flow rate is accompanied by decreased deposition in the case of thin GNP, whilst thicker GNP are preferably accumulated in the extrathoracic region. Generation-specific deposition ranges from 0.05 to 7% (0.01μm) and from 0.05 to 9%, with maximum values being obtained in airway generation 20. In proximal airway generations (0-10), deposition is increased with inhalation flow rate, whereas in intermediate to distal generations a reverse effect may be observed. Health consequences of GNP deposition in different lung compartments are subjected to an intense debate. Copyright © 2017. Published by Elsevier GmbH.

  4. Mathematical challenges from theoretical/computational chemistry

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-12-31

    The committee believes that this report has relevance and potentially valuable suggestions for a wide range of readers. Target audiences include: graduate departments in the mathematical and chemical sciences; federal and private agencies that fund research in the mathematical and chemical sciences; selected industrial and government research and development laboratories; developers of software and hardware for computational chemistry; and selected individual researchers. Chapter 2 of this report covers some history of computational chemistry for the nonspecialist, while Chapter 3 illustrates the fruits of some past successful cross-fertilization between mathematical scientists and computational/theoretical chemists. In Chapter 4 the committee has assembled a representative, but not exhaustive, survey of research opportunities. Most of these are descriptions of important open problems in computational/theoretical chemistry that could gain much from the efforts of innovative mathematical scientists, written so as to be accessible introductions to the nonspecialist. Chapter 5 is an assessment, necessarily subjective, of cultural differences that must be overcome if collaborative work is to be encouraged between the mathematical and the chemical communities. Finally, the report ends with a brief list of conclusions and recommendations that, if followed, could promote accelerated progress at this interface. Recognizing that bothersome language issues can inhibit prospects for collaborative research at the interface between distinctive disciplines, the committee has attempted throughout to maintain an accessible style, in part by using illustrative boxes, and has included at the end of the report a glossary of technical terms that may be familiar to only a subset of the target audiences listed above.

  5. Theoretical efficiency limits for thermoradiative energy conversion

    International Nuclear Information System (INIS)

    Strandberg, Rune

    2015-01-01

    A new method to produce electricity from heat called thermoradiative energy conversion is analyzed. The method is based on sustaining a difference in the chemical potential for electron populations above and below an energy gap and let this difference drive a current through an electric circuit. The difference in chemical potential originates from an imbalance in the excitation and de-excitation of electrons across the energy gap. The method has similarities to thermophotovoltaics and conventional photovoltaics. While photovoltaic cells absorb thermal radiation from a body with higher temperature than the cell itself, thermoradiative cells are hot during operation and emit a net outflow of photons to colder surroundings. A thermoradiative cell with an energy gap of 0.25 eV at a temperature of 500 K in surroundings at 300 K is found to have a theoretical efficiency limit of 33.2%. For a high-temperature thermoradiative cell with an energy gap of 0.4 eV, a theoretical efficiency close to 50% is found while the cell produces 1000 W/m 2 has a temperature of 1000 K and is placed in surroundings with a temperature of 300 K. Some aspects related to the practical implementation of the concept are discussed and some challenges are addressed. It is, for example, obvious that there is an upper boundary for the temperature under which solid state devices can work properly over time. No conclusions are drawn with regard to such practical boundaries, because the work is aimed at establishing upper limits for ideal thermoradiative devices

  6. Game Theoretic Analysis of Road Traffic Problems in Nigeria ...

    African Journals Online (AJOL)

    Game Theoretic Analysis of Road Traffic Problems in Nigeria. ... problems in Nigeria are analysed in the context of a social dilemma. Game theoretic models based on the famous ... AJOL African Journals Online. HOW TO USE AJOL.

  7. Characterization of magnetic tunnel junction test pads

    DEFF Research Database (Denmark)

    Østerberg, Frederik Westergaard; Kjær, Daniel; Nielsen, Peter Folmer

    2015-01-01

    We show experimentally as well as theoretically that patterned magnetic tunnel junctions can be characterized using the current-in-plane tunneling (CIPT) method, and the key parameters, the resistance-area product (RA) and the tunnel magnetoresistance (TMR), can be determined. The CIPT method...

  8. Physical Violence between Siblings: A Theoretical and Empirical Analysis

    Science.gov (United States)

    Hoffman, Kristi L.; Kiecolt, K. Jill; Edwards, John N.

    2005-01-01

    This study develops and tests a theoretical model to explain sibling violence based on the feminist, conflict, and social learning theoretical perspectives and research in psychology and sociology. A multivariate analysis of data from 651 young adults generally supports hypotheses from all three theoretical perspectives. Males with brothers have…

  9. Corruption and Economic Development in Nigeria: A Theoretical ...

    African Journals Online (AJOL)

    Corruption and Economic Development in Nigeria: A Theoretical Review. ... By using a theoretical method of analysis, the study reveals that corruption has been a deterrent to economic development in Nigeria. ... Section two discusses the theoretical and conceptual issues in corruption and economic development. Section ...

  10. Characterizing multifragmentation

    International Nuclear Information System (INIS)

    Campi, X.; Krivine, H.

    1994-01-01

    Various methods to characterize the fragment size distributions in nuclear multifragmentation are discussed. The goal is to find the best signals of a phase transition associated to multifragmentation. The concepts of scaling and critical exponents are reviewed and the possibility to determine them in finite nuclei is examined. The fluctuations of the fragment size distribution and a possible signal of intermittency are also discussed. (author). 29 refs., 4 figs., 1 tab

  11. Theoretical study of rock mass investigation efficiency

    International Nuclear Information System (INIS)

    Holmen, Johan G.; Outters, Nils

    2002-05-01

    The study concerns a mathematical modelling of a fractured rock mass and its investigations by use of theoretical boreholes and rock surfaces, with the purpose of analysing the efficiency (precision) of such investigations and determine the amount of investigations necessary to obtain reliable estimations of the structural-geological parameters of the studied rock mass. The study is not about estimating suitable sample sizes to be used in site investigations.The purpose of the study is to analyse the amount of information necessary for deriving estimates of the geological parameters studied, within defined confidence intervals and confidence level In other words, how the confidence in models of the rock mass (considering a selected number of parameters) will change with amount of information collected form boreholes and surfaces. The study is limited to a selected number of geometrical structural-geological parameters: Fracture orientation: mean direction and dispersion (Fisher Kappa and SRI). Different measures of fracture density (P10, P21 and P32). Fracture trace-length and strike distributions as seen on horizontal windows. A numerical Discrete Fracture Network (DFN) was used for representation of a fractured rock mass. The DFN-model was primarily based on the properties of an actual fracture network investigated at the Aespoe Hard Rock Laboratory. The rock mass studied (DFN-model) contained three different fracture sets with different orientations and fracture densities. The rock unit studied was statistically homogeneous. The study includes a limited sensitivity analysis of the properties of the DFN-model. The study is a theoretical and computer-based comparison between samples of fracture properties of a theoretical rock unit and the known true properties of the same unit. The samples are derived from numerically generated boreholes and surfaces that intersect the DFN-network. Two different boreholes are analysed; a vertical borehole and a borehole that is

  12. Psychological intervention in substance abusing women: A theoretical review

    Directory of Open Access Journals (Sweden)

    Rosario Ruiz-Olivares

    2016-04-01

    Full Text Available Drug use remains today one of the health problems of greatest concern to society. According to the most recent state epidemiological data, women's consumption continuously increases, becoming more and more similar to that of men. However, this same trend does not occur in terms of access to treatment, and when women seek treatment, there is a marked difficulty in adherence to treatment as abandoning it is often the case. Such is the importance of meeting the specific needs of substance-abusing women, that it is even highlighted as a priority and an integral element of the latest Action Plan on Drugs 2013-2016 (Plan Nacional Sobre Drogas, 2013a. In this sense, at the empirical level, researchers have started to study the possible differences men and women may present in drug treatment, as well as the development of a gender-specific treatment. The aim of this theoretical review paper is to analyze the elements that characterize drug dependent women, establishing what aspects should be taken into account in the intervention with women from previous research or from on-going research, suggesting its implementation and future research directions.

  13. Theoretical orientations in environmental planning: An inquiry into alternative approaches

    Science.gov (United States)

    Briassoulis, Helen

    1989-07-01

    In the process of devising courses of action to resolve problems arising at the society-environment interface, a variety of planning approaches are followed, whose adoption is influenced by—among other things—the characteristics of environmental problems, the nature of the decision-making context, and the intellectual traditions of the disciplines contributing to the study of these problems. This article provides a systematic analysis of six alternative environmental planning approaches—comprehensive/rational, incremental, adaptive, contingency, advocacy, and participatory/consensual. The relative influence of the abovementioned factors is examined, the occurrence of these approaches in real-world situations is noted, and their environmental soundness and political realism is evaluated. Because of the disparity between plan formulation and implementation and between theoretical form and empirical reality, a synthetic view of environmental planning approaches is taken and approaches in action are identified, which characterize the totality of the planning process from problem definition to plan implementation, as well as approaches in the becoming, which may be on the horizon of environmental planning of tomorrow. The suggested future research directions include case studies to verify and detail the presence of the approaches discussed, developing measures of success of a given approach in a given decision setting, and an intertemporal analysis of environmental planning approaches.

  14. Theoretical and experimental investigation of multispectral photoacoustic osteoporosis detection method

    Science.gov (United States)

    Steinberg, Idan; Hershkovich, Hadas Sara; Gannot, Israel; Eyal, Avishay

    2014-03-01

    Osteoporosis is a widespread disorder, which has a catastrophic impact on patients lives and overwhelming related to healthcare costs. Recently, we proposed a multispectral photoacoustic technique for early detection of osteoporosis. Such technique has great advantages over pure ultrasonic or optical methods as it allows the deduction of both bone functionality from the bone absorption spectrum and bone resistance to fracture from the characteristics of the ultrasound propagation. We demonstrated the propagation of multiple acoustic modes in animal bones in-vitro. To further investigate the effects of multiple wavelength excitations and of induced osteoporosis on the PA signal a multispectral photoacoustic system is presented. The experimental investigation is based on measuring the interference of multiple acoustic modes. The performance of the system is evaluated and a simple two mode theoretical model is fitted to the measured phase signals. The results show that such PA technique is accurate and repeatable. Then a multiple wavelength excitation is tested. It is shown that the PA response due to different excitation wavelengths revels that absorption by the different bone constitutes has a profound effect on the mode generation. The PA response is measured in single wavelength before and after induced osteoporosis. Results show that induced osteoporosis alters the measured amplitude and phase in a consistent manner which allows the detection of the onset of osteoporosis. These results suggest that a complete characterization of the bone over a region of both acoustic and optical frequencies might be used as a powerful tool for in-vivo bone evaluation.

  15. Information theoretical assessment of visual communication with wavelet coding

    Science.gov (United States)

    Rahman, Zia-ur

    1995-06-01

    A visual communication channel can be characterized by the efficiency with which it conveys information, and the quality of the images restored from the transmitted data. Efficient data representation requires the use of constraints of the visual communication channel. Our information theoretic analysis combines the design of the wavelet compression algorithm with the design of the visual communication channel. Shannon's communication theory, Wiener's restoration filter, and the critical design factors of image gathering and display are combined to provide metrics for measuring the efficiency of data transmission, and for quantitatively assessing the visual quality of the restored image. These metrics are: a) the mutual information (Eta) between the radiance the radiance field and the restored image, and b) the efficiency of the channel which can be roughly measured by as the ratio (Eta) /H, where H is the average number of bits being used to transmit the data. Huck, et al. (Journal of Visual Communication and Image Representation, Vol. 4, No. 2, 1993) have shown that channels desinged to maximize (Eta) , also maximize. Our assessment provides a framework for designing channels which provide the highest possible visual quality for a given amount of data under the critical design limitations of the image gathering and display devices. Results show that a trade-off exists between the maximum realizable information of the channel and its efficiency: an increase in one leads to a decrease in the other. The final selection of which of these quantities to maximize is, of course, application dependent.

  16. Theoretical and clinical overview of affective temperaments in mood disorders

    Directory of Open Access Journals (Sweden)

    Xenia Gonda

    2015-07-01

    Full Text Available Temperaments are imperturbable variations of personality, traits and ways of reacting to the environment that characterize individuals and remain constant throughout several different situations. Temperaments usually play a central role in determining emotional reactions, therefore several temperamental models have attempted to establish the potential relationship between temperaments and affective disorders. According to Hagop Akiskal, affective temperaments are subclinical and subaffective trait-like manifestations of affective disorders. Unlike several models of temperament which were exclusively developed theoretically in order to describe healthy human functioning, later extrapolated to capture the pathological domains of mental and behavioral features, the current model of affective temperaments was developed on classical traditions and mainly based on the observation of subjects with mood disorders and their healthy first degree relatives. There is accumulating evidence concerning the development of affective temperaments based on their adaptive evolutionary characteristics and genetic background, and normative data from large national studies on general and healthy samples indicate their universal characteristics. Studies in affective patient populations indicate that the relationship between affective temperaments and affective illness is more complex than a simple extrapolation from psychopathology and mental health, and affective temperaments may represent a latent state of the staging model, playing a pathoplastic role in mood disorders determining their evolution, clinical features, main characteristics and outcome. A large body of data on affective temperaments has been published during the last decade, deserving a critical analysis presented in this overview.

  17. Japanese management in sport organizations: Reality or theoretical fiction

    Directory of Open Access Journals (Sweden)

    Nešić Milan

    2017-01-01

    Full Text Available Modern management is characterized by specific generic context that represents the main developing potential of every organization, as well as the sporting one. Because of that, basic functions of management (planning, organising, leading and control are under constant scrutiny of modern theories of management. Regardless of the historical order of their occurrence, no unique and generally accepted theory exists today. Especially in the context of the problematics that sport management deals with. They evolve, complement one another, and, sometimes, merge. The most commonly used approach is an eclectic one, as a combination of principles from different theories, which is characteristic of new theoretical approaches to management. Although two dominant sport-organizing models have surfaced in the field of sport - the European and American one, one still cannot explicitly speak about the authentic European or American model of sport management. Because of that, consideration and study of different modern management theories, as well as identification of possible 'points' of applicability, become a necessary process that contributes to the development and promotion of sport management theory (and practice. Two theories that this paper treats are Japanese management and 'Z' theory, as orientations for models potentially applicable in sport organizations.

  18. Theoretical backgrounds of investigating of intellectual and human capital

    Directory of Open Access Journals (Sweden)

    Vladimir Nikiforovich Belkin

    2011-03-01

    Full Text Available This paper reviews the theoretical aspects of a company's intellectual capital. This capital consists of stock and movement of knowledge which is useful for organizing. There are three components of intellectual capital - human, social and organizational capital. The differences of intellectual and human capital are established. In particular, if human capital is characterized by mundane knowledge, the intellectual one - by the new, and if the products of human capital are the usual goods and services, the products of intellectual capital are the result of translating and implementing new knowledge. The coincidence of research subjects of the theory of intellectual capital and the theory of innovative enterprise development is shown. The concept of "intellectual potential of the enterprise" is introduced and the building structure is discussed. This potential consists of intellectual capital, patents and licenses unrealized by the enterprises, formalized ideas and hypotheses and undiscovered creative potential of the staff. Finally, a realization model of the intellectual potential of the company is proposed.

  19. Experimental and theoretical investigation of bezafibrate binding to serum albumins

    Energy Technology Data Exchange (ETDEWEB)

    Gałęcki, Krystian, E-mail: kgalecki87@gmail.com [Technical University of Lodz, Lodz (Poland); Hunter, Kelsey [Glasgow Caledonian University, Glasgow, Scotland (United Kingdom); Daňková, Gabriela [Masarykova Univerzita, Brno (Czech Republic); Rivera, Elsy [University of Houston-Downtown, Houston (United States); Tung, Lo Wing [The Hong Kong Polytechnic University (Hong Kong); Mc Sherry, Kenneth [Trinity College Dublin, Dublin (Ireland)

    2016-09-15

    The purpose of this investigation was to provide insight into the possible mechanism of the intermolecular interactions between antilipemic agent bezafibrate and serum albumins (SAs) including human (HSA) and bovine (BSA). The aim was to indicate the most probable sight of these interactions. Both experimental (spectroscopic) and theoretical methods were applied. It was determined that bezafibrate binds to SAs in one specific binding site, the fatty acid binding site 6. The results obtained from the steady-state and time-resolved fluorescence experiments suggested that existing two distinct stable conformations of the proteins with different exposure to the quencher. The dominate conformer of HSA and BSA characterized by the Stern–Volmer quenching constant (from ratio F{sub 0}/F) equal to 1.24·10{sup 4} and 8.48·10{sup 3} M{sup −1} at 298 K, respectively. The docking results and calculated thermodynamics parameters may be suggested that the binding process is spontaneous and might involve van der Waals and hydrogen bonding forces.

  20. Theoretical studies of potential energy surfaces and computational methods

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, R. [Argonne National Laboratory, IL (United States)

    1993-12-01

    This project involves the development, implementation, and application of theoretical methods for the calculation and characterization of potential energy surfaces involving molecular species that occur in hydrocarbon combustion. These potential energy surfaces require an accurate and balanced treatment of reactants, intermediates, and products. This difficult challenge is met with general multiconfiguration self-consistent-field (MCSCF) and multireference single- and double-excitation configuration interaction (MRSDCI) methods. In contrast to the more common single-reference electronic structure methods, this approach is capable of describing accurately molecular systems that are highly distorted away from their equilibrium geometries, including reactant, fragment, and transition-state geometries, and of describing regions of the potential surface that are associated with electronic wave functions of widely varying nature. The MCSCF reference wave functions are designed to be sufficiently flexible to describe qualitatively the changes in the electronic structure over the broad range of geometries of interest. The necessary mixing of ionic, covalent, and Rydberg contributions, along with the appropriate treatment of the different electron-spin components (e.g. closed shell, high-spin open-shell, low-spin open shell, radical, diradical, etc.) of the wave functions, are treated correctly at this level. Further treatment of electron correlation effects is included using large scale multireference CI wave functions, particularly including the single and double excitations relative to the MCSCF reference space. This leads to the most flexible and accurate large-scale MRSDCI wave functions that have been used to date in global PES studies.