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Sample records for theoretical multi-reflection method

  1. Stress measurements by multi-reflection grazing-incidence X-ray diffraction method (MGIXD) using different radiation wavelengths and different incident angles

    International Nuclear Information System (INIS)

    Marciszko, Marianna; Baczmański, Andrzej; Braham, Chedly; Wróbel, Mirosław; Wroński, Sebastian; Cios, Grzegorz

    2017-01-01

    The presented study introduces the development of the multi-reflection grazing-incidence X-ray diffraction method (MGIXD) for residual stress determination. The proposed new methodology is aimed at obtaining more reliable experimental data and increasing the depth of non-destructive stress determination below the sample surface. To verify proposed method measurements were performed on a classical X-ray diffractometer (Cu Kα radiation) and using synchrotron radiation (three different wavelengths: λ = 1.2527 Å, λ = 1.5419 Å and λ = 1.7512 Å). The Al2017 alloy subjected to three different surface treatments was investigated in this study. The obtained results showed that the proposed development of MGIXD method, in which not only different incident angles but also different wavelengths of X-ray are used, can be successfully applied for residual stress determination, especially when stress gradients are present in the sample.

  2. Unorthodox theoretical methods

    Energy Technology Data Exchange (ETDEWEB)

    Nedd, Sean [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    The use of the ReaxFF force field to correlate with NMR mobilities of amine catalytic substituents on a mesoporous silica nanosphere surface is considered. The interfacing of the ReaxFF force field within the Surface Integrated Molecular Orbital/Molecular Mechanics (SIMOMM) method, in order to replicate earlier SIMOMM published data and to compare with the ReaxFF data, is discussed. The development of a new correlation consistent Composite Approach (ccCA) is presented, which incorporates the completely renormalized coupled cluster method with singles, doubles and non-iterative triples corrections towards the determination of heats of formations and reaction pathways which contain biradical species.

  3. 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.

  4. 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...

  5. 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…

  6. 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 ...

  7. Theoretical principles and methods of lingvopersonology

    Directory of Open Access Journals (Sweden)

    Danylyuk Illya

    2016-08-01

    Full Text Available Background: The relevance of our research, above all, is theoretically motivated by the development of extraordinary scientific and practical interest in the possibilities of language processing of huge amount of data generated by people in everyday professional and personal life in the electronic forms of communication (e-mail, sms, voice, audio and video blogs, social networks, etc.. Purpose: The purpose of the article is to study and summarize theoretical principles of lingvopersonology to implement fundamental research: modeling specific linguistic identity by means of modern information technology. Results: Lingvopersonology developed some great theoretical foundations, its methods, tools, and significant achievements let us predict that the newest promising trend is a linguistic identity modeling by means of information technology, including language. We see three aspects of the modeling: 1 modeling the semantic level of linguistic identity – by means of the use of corpus linguistics; 2 sound level formal modeling of linguistic identity – with the help of speech synthesis; 3 formal graphic level modeling of linguistic identity – with the help of image synthesis (handwriting. Discussion: The project "Communicative-pragmatic, discourse, and grammatical lingvopersonology: structuring linguistic identity and computer modeling", which is implementing by the Department of General and Applied Linguistics and Slavonic philology, selected a task to model Yuriy Shevelyov (Sherekh’ language identity. A text corpus and audio corpus are being built, some samples of scientist’s handwriting are collected.

  8. 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).

  9. 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...

  10. Applications of theoretical methods in atmospheric science

    DEFF Research Database (Denmark)

    Johnson, Matthew Stanley; Goodsite, Michael E.

    2008-01-01

    in addressing an issue of primary concern: understanding photochemical reaction rates at the various conditions found in the atmosphere. Atmospheric science includes both atmospheric chemistry and atmospheric physics, meteorology, climatology and the study of extraterrestrial atmospheres.......Theoretical chemistry involves explaining chemical phenomenon using natural laws. The primary tool of theoretical chemistry is quantum chemistry, and the field may be divided into electronic structure calculations, reaction dynamics and statistical mechanics. These three all play a role...

  11. 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.

  12. Theoretical methods for describing electronic states

    International Nuclear Information System (INIS)

    Buslaeva, T.M.; Umrejko, D.S.; Novitskij, G.G.; Sinitsyn, N.M.; Kovrikov, A.B.

    1990-01-01

    Theoretical description of electron states of ruthenium halogenocomplexes is presented. Properties of external electrons in ruthenium complexes, formation of chemical bonds, are considered. The main types of hybridization and corresponding spatial structures of the complexes with coordination number 2-6 are given. 5 figs.; 4 tabs

  13. 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

  14. 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.)

  15. Symbolic interactionism as a theoretical perspective for multiple method research.

    Science.gov (United States)

    Benzies, K M; Allen, M N

    2001-02-01

    Qualitative and quantitative research rely on different epistemological assumptions about the nature of knowledge. However, the majority of nurse researchers who use multiple method designs do not address the problem of differing theoretical perspectives. Traditionally, symbolic interactionism has been viewed as one perspective underpinning qualitative research, but it is also the basis for quantitative studies. Rooted in social psychology, symbolic interactionism has a rich intellectual heritage that spans more than a century. Underlying symbolic interactionism is the major assumption that individuals act on the basis of the meaning that things have for them. The purpose of this paper is to present symbolic interactionism as a theoretical perspective for multiple method designs with the aim of expanding the dialogue about new methodologies. Symbolic interactionism can serve as a theoretical perspective for conceptually clear and soundly implemented multiple method research that will expand the understanding of human health behaviour.

  16. On the Radau pseudospectral method: theoretical and implementation advances

    Science.gov (United States)

    Sagliano, Marco; Theil, Stephan; Bergsma, Michiel; D'Onofrio, Vincenzo; Whittle, Lisa; Viavattene, Giulia

    2017-09-01

    In the last decades the theoretical development of more and more refined direct methods, together with a new generation of CPUs, led to a significant improvement of numerical approaches for solving optimal-control problems. One of the most promising class of methods is based on pseudospectral optimal control. These methods do not only provide an efficient algorithm to solve optimal-control problems, but also define a theoretical framework for linking the discrete numerical solution to the analytical one in virtue of the covector mapping theorem. However, several aspects in their implementation can be refined. In this framework SPARTAN, the first European tool based on flipped-Radau pseudospectral method, has been developed. This paper illustrates the aspects implemented for SPARTAN, which can potentially be valid for any other transcription. The novelties included in this work consist specifically of a new hybridization of the Jacobian matrix computation made of four distinct parts. These contributions include a new analytical formulation for expressing Lagrange cost function for open final-time problems, and the use of dual-number theory for ensuring exact differentiation. Moreover, a self-scaling strategy for primal and dual variables, which combines the projected-Jacobian rows normalization and the covector mapping, is described. Three concrete examples show the validity of the novelties introduced, and the quality of the results obtained with the proposed methods.

  17. An optimisation design of adaptive illumination for a multi-reflective 3D scene

    Science.gov (United States)

    Lyu, Chengang; Gao, Shuang; Yang, Jiachen

    2017-06-01

    An illumination optimisation technique applied to multi-reflective 3-D machine vision based on a projector-camera system is introduced, in which the projector plays a key role to compensate for surface reflectance at each pixel to be inversely proportional to the brightness of the pixel under ambient light. The adaptive illumination technology was achieved by iterations emphasising different illumination intensities according to different surface orientations and requiring an accurate correspondence between the projector pixels and the camera pixels. In order to establish the most effective correspondence to prepare for subsequent adaptive illumination, 4 kinds of grating patterns, including sinusoidal, rectangular, triangular, and dual-frequency sinusoidal grating patterns, were projected and compared. The iterations were halted when an optimally lit scene was obtained; the further experiments under weak and strong light searched for the best method of illumination optimisation and confirmed the reliability of the adaptive illumination. The proposed optimisation design could run in real time and became a viable solution for industry.

  18. Theoretical methods for small-molecule ro-vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lodi, Lorenzo; Tennyson, Jonathan, E-mail: j.tennyson@ucl.ac.u [University College London, Department of Physics and Astronomy, Gower Street, London WC1E 6BT (United Kingdom)

    2010-07-14

    The solution of the first principle equations of quantum mechanics provides an increasingly accurate and predictive approach for solving problems involving atoms and small molecules. A general introduction to the methods used for the ab initio calculation of rotational-vibrational spectra of small molecules is presented, with a strong focus on triatomic systems. The use of multi-reference electronic structure methods to compute molecular potential-energy and dipole-moment surfaces is discussed. Issues related to the construction of such surfaces and the inclusion of corrections due to relativistic and non-Born-Oppenheimer effects are reviewed. The derivation of exact, internal-coordinate nuclear-motion-effective Hamiltonians and their solution using a discrete-variable representation are discussed. Sample results for the water molecules are used throughout the tutorial to illustrate the theoretical and numerical issues in such calculations. (phd tutorial)

  19. Reverse Engineering Cellular Networks with Information Theoretic Methods

    Directory of Open Access Journals (Sweden)

    Julio R. Banga

    2013-05-01

    Full Text Available Building mathematical models of cellular networks lies at the core of systems biology. It involves, among other tasks, the reconstruction of the structure of interactions between molecular components, which is known as network inference or reverse engineering. Information theory can help in the goal of extracting as much information as possible from the available data. A large number of methods founded on these concepts have been proposed in the literature, not only in biology journals, but in a wide range of areas. Their critical comparison is difficult due to the different focuses and the adoption of different terminologies. Here we attempt to review some of the existing information theoretic methodologies for network inference, and clarify their differences. While some of these methods have achieved notable success, many challenges remain, among which we can mention dealing with incomplete measurements, noisy data, counterintuitive behaviour emerging from nonlinear relations or feedback loops, and computational burden of dealing with large data sets.

  20. Theoretical physics 7 quantum mechanics : methods and applications

    CERN Document Server

    Nolting, Wolfgang

    2017-01-01

    This textbook offers a clear and comprehensive introduction to methods and applications in 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 understanding of quantized states further on. The first part of the book introduces the quantum theory of angular momentum and approximation methods. More complex themes are covered in the second part of the book, which describes multiple particle systems and scattering theory. Ideally suited to undergraduate students with some grounding in the basics of 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 successful German editions, the eight volumes of this seri...

  1. Experimental and Theoretical Methods in Algebra, Geometry and Topology

    CERN Document Server

    Veys, Willem; Bridging Algebra, Geometry, and Topology

    2014-01-01

    Algebra, geometry and topology cover a variety of different, but intimately related research fields in modern mathematics. This book focuses on specific aspects of this interaction. The present volume contains refereed papers which were presented at the International Conference “Experimental and Theoretical Methods in Algebra, Geometry and Topology”, held in Eforie Nord (near Constanta), Romania, during 20-25 June 2013. The conference was devoted to the 60th anniversary of the distinguished Romanian mathematicians Alexandru Dimca and Ştefan Papadima. The selected papers consist of original research work and a survey paper. They are intended for a large audience, including researchers and graduate students interested in algebraic geometry, combinatorics, topology, hyperplane arrangements and commutative algebra. The papers are written by well-known experts from different fields of mathematics, affiliated to universities from all over the word, they cover a broad range of topics and explore the research f...

  2. 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.

  3. About possibilities using of theoretical calculation methods in radioecology

    International Nuclear Information System (INIS)

    Demoukhamedova, S.D.; Aliev, D.I.; Alieva, I.N.

    2002-01-01

    Full text: Increasing the radiation level into environment is accompanied by accumulation of radioactive compounds into organism and/or their migration into biosphere. Radiotoxins are accumulated into irradiated plants and animals in result of violation of exchanging processes. The are play an important role at the pathogenesis of irradiation. To date, there is well known that even small quantity of the pesticides capable intensified the radiation effect. To understand the mechanism of radiation effect on physiologically active compounds and their complexes, the knowledge of such molecules three-dimensional organization and electron structure is essential. This work is devoted to study the pesticides of carbamate range, i.e. 'sevin' and its derivatives the physiological activity of which has been connected with cholinesterase degradation. Spatial organization and conformational possibilities of the pesticides has been studied using a method of the theoretical conformational analysis on the base of computational program worked out in laboratory of Molecular Biophysics at the Baku State University. Quantum-chemical methods CNDO/2, AM1 and PM3 and complex programs 'LEV' were used in studies of electronic structures of 'sevin' and number of its analogues. Charge distribution on the atoms, optimization of geometrical electrooptic parameters, as well as molecular electrostatic potentials, electron density and nuclear forces were calculated. Visual maps and surface of valence electron density distribution in the given plane and surface of electron-nuclear forces distribution projection were constructed. The geometrical and energetic characteristics, charges on the atoms of investigated pesticides, as well as the maps and relief of the valence electron density distribution on the atoms have been received. According to calculation results, the changing of charge distribution in naphthalene ring is observed. The conclusion was made that the carbonyl group is essential for

  4. 31st International Colloquium in Group Theoretical Methods in Physics

    CERN Document Server

    Gazeau, Jean-Pierre; Faci, Sofiane; Micklitz, Tobias; Scherer, Ricardo; Toppan, Francesco

    2017-01-01

    This proceedings records the 31st International Colloquium on Group Theoretical Methods in Physics (“Group 31”). Plenary-invited articles propose new approaches to the moduli spaces in gauge theories (V. Pestun, 2016 Weyl Prize Awardee), the phenomenology of neutrinos in non-commutative space-time, the use of Hardy spaces in quantum physics, contradictions in the use of statistical methods on complex systems, and alternative models of supersymmetry. This volume’s survey articles broaden the colloquia’s scope out into Majorana neutrino behavior, the dynamics of radiating charges, statistical pattern recognition of amino acids, and a variety of applications of gauge theory, among others. This year’s proceedings further honors Bertram Kostant (2016 Wigner Medalist), as well as S.T. Ali and L. Boyle, for their life-long contributions to the math and physics communities. The aim of the ICGTMP is to provide a forum for physicists, mathematicians, and scientists of related disciplines who develop or apply ...

  5. 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.

  6. Number theoretic methods in cryptography complexity lower bounds

    CERN Document Server

    Shparlinski, Igor

    1999-01-01

    The book introduces new techniques which imply rigorous lower bounds on the complexity of some number theoretic and cryptographic problems. These methods and techniques are based on bounds of character sums and numbers of solutions of some polynomial equations over finite fields and residue rings. It also contains a number of open problems and proposals for further research. We obtain several lower bounds, exponential in terms of logp, on the de­ grees and orders of • polynomials; • algebraic functions; • Boolean functions; • linear recurring sequences; coinciding with values of the discrete logarithm modulo a prime p at suf­ ficiently many points (the number of points can be as small as pI/He). These functions are considered over the residue ring modulo p and over the residue ring modulo an arbitrary divisor d of p - 1. The case of d = 2 is of special interest since it corresponds to the representation of the right­ most bit of the discrete logarithm and defines whether the argument is a quadratic...

  7. Information-Theoretic Methods for Identifying Relationships amon

    Data.gov (United States)

    National Aeronautics and Space Administration — Information-theoretic quantities, such as entropy, are used to quantify the amount of information a given variable provides. Entropies can be used together to...

  8. Theoretical Modelling Methods for Thermal Management of Batteries

    Directory of Open Access Journals (Sweden)

    Bahman Shabani

    2015-09-01

    Full Text Available The main challenge associated with renewable energy generation is the intermittency of the renewable source of power. Because of this, back-up generation sources fuelled by fossil fuels are required. In stationary applications whether it is a back-up diesel generator or connection to the grid, these systems are yet to be truly emissions-free. One solution to the problem is the utilisation of electrochemical energy storage systems (ESS to store the excess renewable energy and then reusing this energy when the renewable energy source is insufficient to meet the demand. The performance of an ESS amongst other things is affected by the design, materials used and the operating temperature of the system. The operating temperature is critical since operating an ESS at low ambient temperatures affects its capacity and charge acceptance while operating the ESS at high ambient temperatures affects its lifetime and suggests safety risks. Safety risks are magnified in renewable energy storage applications given the scale of the ESS required to meet the energy demand. This necessity has propelled significant effort to model the thermal behaviour of ESS. Understanding and modelling the thermal behaviour of these systems is a crucial consideration before designing an efficient thermal management system that would operate safely and extend the lifetime of the ESS. This is vital in order to eliminate intermittency and add value to renewable sources of power. This paper concentrates on reviewing theoretical approaches used to simulate the operating temperatures of ESS and the subsequent endeavours of modelling thermal management systems for these systems. The intent of this review is to present some of the different methods of modelling the thermal behaviour of ESS highlighting the advantages and disadvantages of each approach.

  9. Theoretical study (ab initio and DFT methods) on acidic dissociation ...

    African Journals Online (AJOL)

    Analytical measurement of materials requires exact knowledge of their acid dissociation constant (pKa) values. In recent years, quantum mechanical calculations have been extensively used to study of acidities in the aqueous solutions and the results were compared with the experimental values. In this study, a theoretical ...

  10. Theoretical methods in the assessment of vision and automated perimetry.

    Science.gov (United States)

    Jindra, Lawrence F

    2006-01-01

    An analytic understanding of automated perimetry requires an appreciation of the fundamental theories of vision and an understanding of the basic mathematical rudiments of signal processing theory. The theories of vision by Weber, Fechtner, and Stevens are evaluated and the mathematical bases of logarithmic, exponential, and power functions are considered as they relate to various models of visual functioning. Presenting perimetry results as actual, linear stimulus values, not theoretical, non-linear response values, could better allow clinicians to assess and examine the testing data directly to evaluate more correctly and accurately their patients' visual function.

  11. Numerical Methods Application for Reinforced Concrete Elements-Theoretical Approach for Direct Stiffness Matrix Method

    Directory of Open Access Journals (Sweden)

    Sergiu Ciprian Catinas

    2015-07-01

    Full Text Available A detailed theoretical and practical investigation of the reinforced concrete elements is due to recent techniques and method that are implemented in the construction market. More over a theoretical study is a demand for a better and faster approach nowadays due to rapid development of the calculus technique. The paper above will present a study for implementing in a static calculus the direct stiffness matrix method in order capable to address phenomena related to different stages of loading, rapid change of cross section area and physical properties. The method is a demand due to the fact that in our days the FEM (Finite Element Method is the only alternative to such a calculus and FEM are considered as expensive methods from the time and calculus resources point of view. The main goal in such a method is to create the moment-curvature diagram in the cross section that is analyzed. The paper above will express some of the most important techniques and new ideas as well in order to create the moment curvature graphic in the cross sections considered.

  12. Theoretical prediction method of subcooled flow boiling CHF

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, Young Min; Chang, Soon Heung [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1998-12-31

    A theoretical critical heat flux (CHF ) model, based on lateral bubble coalescence on the heated wall, is proposed to predict the subcooled flow boiling CHF in a uniformly heated vertical tube. The model is based on the concept that a single layer of bubbles contacted to the heated wall prevents a bulk liquid from reaching the wall at near CHF condition. Comparisons between the model predictions and experimental data result in satisfactory agreement within less than 9.73% root-mean-square error by the appropriate choice of the critical void fraction in the bubbly layer. The present model shows comparable performance with the CHF look-up table of Groeneveld et al.. 28 refs., 11 figs., 1 tab. (Author)

  13. Multi-reflection photometric flow cell for use in flow injection analysis of estuarine waters

    International Nuclear Information System (INIS)

    Ellis, Peter S.; Lyddy-Meaney, Amanda J.; Worsfold, Paul J.; McKelvie, Ian D.

    2003-01-01

    A multi-reflection flow cell suitable for flow analysis is described. Light from an LED is directed through an optical fibre into a silver coated capillary through a sidewall aperture, and emerges through a similar aperture 10 mm along the capillary after undergoing an estimated 19 reflections. This process provides a sensitivity enhancement of approximately 2.5 compared with a conventional z-cell of the same nominal path length. This enhancement is due to both the increased optical path length achieved by multiple reflection of the light beam through the sample, and minimization of physical dispersion by the use of a short, small internal diameter capillary as the flow cell. The optical design of this flow cell also minimizes the Schlieren effect. Optical and hydrodynamic characteristics of this multi-reflection cell have been evaluated using a series of bromothymol blue dye studies. Application of the flow cell to the determination of reactive phosphorus in estuarine waters with wide variation in salinity and refractive index is also described

  14. Theoretical studies of densiometric methods using γ-radiation

    International Nuclear Information System (INIS)

    Luebbesmeyer, D.; Wesser, U.

    1975-10-01

    Some conclusions could be drawn from the calculations performed for the practical measuring method to be applied: 1) The incident method for the density measurement of an inhomogenous two-phase flow involves a lot of errors. 2) Should one, due to limited expense, only use two detectors for the measuring chains, then the scattered-beam method is more advantageous than the two-beam method. 3) If three detectors can be used, a greater accuracy can be expected than with the scattered-beam method. 4) The accuracy of all methods increases if a certain homogenity of a part of the flow is allowed. 5) The most favourable energy region is different for scattered-beam and multi-beam processes. Whereas the scattered-beam method can be used to an optimum at energies of about 60 KeV due to the enlarged scattering cross sections at small radiation energies, the energies with multi-beam methods should be more than 100 KeV. 6) If small calibration problems are important, than the multi-beam method is preferable to the scattered-beam method. A good compromise between apparative expenditure and the accuracy to be obtained is the three-beam method with, e.g., 137 Cs as a source. (orig./LH) [de

  15. Dynamical Systems Method and Applications Theoretical Developments and Numerical Examples

    CERN Document Server

    Ramm, Alexander G

    2012-01-01

    Demonstrates the application of DSM to solve a broad range of operator equations The dynamical systems method (DSM) is a powerful computational method for solving operator equations. With this book as their guide, readers will master the application of DSM to solve a variety of linear and nonlinear problems as well as ill-posed and well-posed problems. The authors offer a clear, step-by-step, systematic development of DSM that enables readers to grasp the method's underlying logic and its numerous applications. Dynamical Systems Method and Applications begins with a general introduction and

  16. The Ulam Index: Methods of Theoretical Computer Science Help in Identifying Chemical Substances

    Science.gov (United States)

    Beltran, Adriana; Salvador, James

    1997-01-01

    In this paper, we show how methods developed for solving a theoretical computer problem of graph isomorphism are used in structural chemistry. We also discuss potential applications of these methods to exobiology: the search for life outside Earth.

  17. Theoretical method for determining particle distribution functions of classical systems

    International Nuclear Information System (INIS)

    Johnson, E.

    1980-01-01

    An equation which involves the triplet distribution function and the three-particle direct correlation function is obtained. This equation was derived using an analogue of the Ornstein--Zernike equation. The new equation is used to develop a variational method for obtaining the triplet distribution function of uniform one-component atomic fluids from the pair distribution function. The variational method may be used with the first and second equations in the YBG hierarchy to obtain pair and triplet distribution functions. It should be easy to generalize the results to the n-particle distribution function

  18. Integral methods in science and engineering theoretical and practical aspects

    CERN Document Server

    Constanda, C; Rollins, D

    2006-01-01

    Presents a series of analytic and numerical methods of solution constructed for important problems arising in science and engineering, based on the powerful operation of integration. This volume is meant for researchers and practitioners in applied mathematics, physics, and mechanical and electrical engineering, as well as graduate students.

  19. A Theoretical Perspective on the Case Study Method

    Science.gov (United States)

    Çakmak, Zafer; Akgün, Ismail Hakan

    2018-01-01

    Ensuring that students reach the determined goals of the courses at the desired level is one of the primary goals of teaching. In order to achieve this purpose, educators use a variety of teaching strategies and methods, and teaching materials appropriate to the content and the subject of the courses in the teaching process. As a matter of fact,…

  20. Nonstationary Hydrological Frequency Analysis: Theoretical Methods and Application Challenges

    Science.gov (United States)

    Xiong, L.

    2014-12-01

    Because of its great implications in the design and operation of hydraulic structures under changing environments (either climate change or anthropogenic changes), nonstationary hydrological frequency analysis has become so important and essential. Two important achievements have been made in methods. Without adhering to the consistency assumption in the traditional hydrological frequency analysis, the time-varying probability distribution of any hydrological variable can be established by linking the distribution parameters to some covariates such as time or physical variables with the help of some powerful tools like the Generalized Additive Model of Location, Scale and Shape (GAMLSS). With the help of copulas, the multivariate nonstationary hydrological frequency analysis has also become feasible. However, applications of the nonstationary hydrological frequency formula to the design and operation of hydraulic structures for coping with the impacts of changing environments in practice is still faced with many challenges. First, the nonstationary hydrological frequency formulae with time as covariate could only be extrapolated for a very short time period beyond the latest observation time, because such kind of formulae is not physically constrained and the extrapolated outcomes could be unrealistic. There are two physically reasonable methods that can be used for changing environments, one is to directly link the quantiles or the distribution parameters to some measureable physical factors, and the other is to use the derived probability distributions based on hydrological processes. However, both methods are with a certain degree of uncertainty. For the design and operation of hydraulic structures under changing environments, it is recommended that design results of both stationary and nonstationary methods be presented together and compared with each other, to help us understand the potential risks of each method.

  1. Theoretical and applied aerodynamics and related numerical methods

    CERN Document Server

    Chattot, J J

    2015-01-01

    This book covers classical and modern aerodynamics, theories and related numerical methods, for senior and first-year graduate engineering students, including: -The classical potential (incompressible) flow theories for low speed aerodynamics of thin airfoils and high and low aspect ratio wings. - The linearized theories for compressible subsonic and supersonic aerodynamics. - The nonlinear transonic small disturbance potential flow theory, including supercritical wing sections, the extended transonic area rule with lift effect, transonic lifting line and swept or oblique wings to minimize wave drag. Unsteady flow is also briefly discussed. Numerical simulations based on relaxation mixed-finite difference methods are presented and explained. - Boundary layer theory for all Mach number regimes and viscous/inviscid interaction procedures used in practical aerodynamics calculations. There are also four chapters covering special topics, including wind turbines and propellers, airplane design, flow analogies and h...

  2. Information-theoretic methods for estimating of complicated probability distributions

    CERN Document Server

    Zong, Zhi

    2006-01-01

    Mixing up various disciplines frequently produces something that are profound and far-reaching. Cybernetics is such an often-quoted example. Mix of information theory, statistics and computing technology proves to be very useful, which leads to the recent development of information-theory based methods for estimating complicated probability distributions. Estimating probability distribution of a random variable is the fundamental task for quite some fields besides statistics, such as reliability, probabilistic risk analysis (PSA), machine learning, pattern recognization, image processing, neur

  3. Variational Principles and Methods in Theoretical Physics and Chemistry

    Science.gov (United States)

    Nesbet, Robert K.

    2005-07-01

    Preface; Part I. Classical Mathematics and Physics: 1. History of variational theory; 2. Classical mechanics; 3. Applied mathematics; Part II. Bound States in Quantum Mechanics: 4. Time-independent quantum mechanics; 5. Independent-electron models; 6. Time-dependent theory and linear response; Part III. Continuum States and Scattering Theory: 7. Multiple scattering theory for molecules and solids; 8. Variational methods for continuum states; 9. Electron-impact rovibrational excitation of molecules; Part IV. Field Theories: 10. Relativistic Lagrangian theories.

  4. Theoretical determination of nozzle admittances using a finite element method

    Science.gov (United States)

    Sigman, R. K.; Zinn, B. T.

    1979-01-01

    A finite element method (FEM) is used to predict the admittances of axisymmetric nozzles. The flow in the nozzle is assumed to be isentropic and the disturbances are assumed to be small so that linear analyses apply. An approximate two dimensional compressible flow model is used to describe the steady flow in the nozzle. The propagation of acoustic disturbances is governed by the complete linear acoustic wave equation. This partial differential wave equation is transformed to an integral equation using Galerkin's method and Green's theorem is applied so that the acoustic boundary conditions can be introduced through the boundary residuals. A two dimensional finite element method using linear triangular elements is used to solve the integral acoustic equation. A one dimensional FEM is used to solve the reduced nozzle acoustic equation developed by Crocco and the solution is used to verify the sufficiency of the boundary residual formation. It is shown that agreement between predicted values of the admittance and experimental data is quite good.

  5. A novel ion cooling trap for multi-reflection time-of-flight mass spectrograph

    Energy Technology Data Exchange (ETDEWEB)

    Ito, Y., E-mail: yito@riken.jp [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Schury, P. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); New Mexico State University, Department Chemistry and Biochemistry, Las Cruces, NM 88003 (United States); Wada, M.; Naimi, S. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Smorra, C. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Max-Planck-Institut für Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany); Sonoda, T. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Mita, H. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Takamine, A. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Aoyama Gakuin University, 4-4-25 Shibuya, Shibuya-ku, Tokyo 150-8366 (Japan); Okada, K. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Sophia University, 7-1 Kioi-cho, Chiyoda-ku, Tokyo 102-8554 (Japan); Ozawa, A. [University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Wollnik, H. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); New Mexico State University, Department Chemistry and Biochemistry, Las Cruces, NM 88003 (United States)

    2013-12-15

    Highlights: • Fast cooling time: 2 ms. • High efficiency: ≈27% for {sup 23}Na{sup +} and ≈5.1% for {sup 7}Li{sup +}. • 100% Duty cycle with double trap system. -- Abstract: A radiofrequency quadrupole ion trap system for use with a multi-reflection time-of-flight mass spectrograph (MRTOF) for short-lived nuclei has been developed. The trap system consists of two different parts, an asymmetric taper trap and a flat trap. The ions are cooled to a sufficient small bunch for precise mass measurement with MRTOF in only 2 ms cooling time in the flat trap, then orthogonally ejected to the MRTOF for mass analysis. A trapping efficiency of ≈27% for {sup 23}Na{sup +} and ≈5.1% for {sup 7}Li{sup +} has been achieved.

  6. Transformational Teaching: Theoretical Underpinnings, Basic Principles, and Core Methods

    Science.gov (United States)

    Slavich, George M.; Zimbardo, Philip G.

    2012-01-01

    Approaches to classroom instruction have evolved considerably over the past 50 years. This progress has been spurred by the development of several learning principles and methods of instruction, including active learning, student-centered learning, collaborative learning, experiential learning, and problem-based learning. In the present paper, we suggest that these seemingly different strategies share important underlying characteristics and can be viewed as complimentary components of a broader approach to classroom instruction called transformational teaching. Transformational teaching involves creating dynamic relationships between teachers, students, and a shared body of knowledge to promote student learning and personal growth. From this perspective, instructors are intellectual coaches who create teams of students who collaborate with each other and with their teacher to master bodies of information. Teachers assume the traditional role of facilitating students’ acquisition of key course concepts, but do so while enhancing students’ personal development and attitudes toward learning. They accomplish these goals by establishing a shared vision for a course, providing modeling and mastery experiences, challenging and encouraging students, personalizing attention and feedback, creating experiential lessons that transcend the boundaries of the classroom, and promoting ample opportunities for preflection and reflection. We propose that these methods are synergistically related and, when used together, maximize students’ potential for intellectual and personal growth. PMID:23162369

  7. Computational carbohydrate chemistry: what theoretical methods can tell us

    Science.gov (United States)

    Woods, Robert J.

    2014-01-01

    Computational methods have had a long history of application to carbohydrate systems and their development in this regard is discussed. The conformational analysis of carbohydrates differs in several ways from that of other biomolecules. Many glycans appear to exhibit numerous conformations coexisting in solution at room temperature and a conformational analysis of a carbohydrate must address both spatial and temporal properties. When solution nuclear magnetic resonance data are used for comparison, the simulation must give rise to ensemble-averaged properties. In contrast, when comparing to experimental data obtained from crystal structures a simulation of a crystal lattice, rather than of an isolated molecule, is appropriate. Molecular dynamics simulations are well suited for such condensed phase modeling. Interactions between carbohydrates and other biological macromolecules are also amenable to computational approaches. Having obtained a three-dimensional structure of the receptor protein, it is possible to model with accuracy the conformation of the carbohydrate in the complex. An example of the application of free energy perturbation simulations to the prediction of carbohydrate-protein binding energies is presented. PMID:9579797

  8. Information theoretic methods for image processing algorithm optimization

    Science.gov (United States)

    Prokushkin, Sergey F.; Galil, Erez

    2015-01-01

    Modern image processing pipelines (e.g., those used in digital cameras) are full of advanced, highly adaptive filters that often have a large number of tunable parameters (sometimes > 100). This makes the calibration procedure for these filters very complex, and the optimal results barely achievable in the manual calibration; thus an automated approach is a must. We will discuss an information theory based metric for evaluation of algorithm adaptive characteristics ("adaptivity criterion") using noise reduction algorithms as an example. The method allows finding an "orthogonal decomposition" of the filter parameter space into the "filter adaptivity" and "filter strength" directions. This metric can be used as a cost function in automatic filter optimization. Since it is a measure of a physical "information restoration" rather than perceived image quality, it helps to reduce the set of the filter parameters to a smaller subset that is easier for a human operator to tune and achieve a better subjective image quality. With appropriate adjustments, the criterion can be used for assessment of the whole imaging system (sensor plus post-processing).

  9. Multi Reflection of Lamb Wave Emission in an Acoustic Waveguide Sensor

    Directory of Open Access Journals (Sweden)

    Leonhard Michael Reindl

    2013-02-01

    Full Text Available Recently, an acoustic waveguide sensor based on multiple mode conversion of surface acoustic waves at the solid—liquid interfaces has been introduced for the concentration measurement of binary and ternary mixtures, liquid level sensing, investigation of spatial inhomogenities or bubble detection. In this contribution the sound wave propagation within this acoustic waveguide sensor is visualized by Schlieren imaging for continuous and burst operation the first time. In the acoustic waveguide the antisymmetrical zero order Lamb wave mode is excited by a single phase transducer of 1 MHz on thin glass plates of 1 mm thickness. By contact to the investigated liquid Lamb waves propagating on the first plate emit pressure waves into the adjacent liquid, which excites Lamb waves on the second plate, what again causes pressure waves traveling inside the liquid back to the first plate and so on. The Schlieren images prove this multi reflection within the acoustic waveguide, which confirms former considerations and calculations based on the receiver signal. With this knowledge the sensor concepts with the acoustic waveguide sensor can be interpreted in a better manner.

  10. Design of the multi-reflection time-of-flight mass spectrometer for the RAON facility

    International Nuclear Information System (INIS)

    Yoon, J.W.; Park, Y.H.; Park, S.J.; Kim, G.D.; Kim, Y.K.

    2014-01-01

    A multi-reflection time-of-flight mass spectrometer (MR-TOF-MS) has been proposed for high precision mass measurements on the future Korean heavy ion accelerator called RAON. MR-TOF-MS will allow us to reach very high mass resolving power (> 10 5 ) with extremely short measurement times (several ms) in a compact device. The MR-TOF-MS is composed of two electrostatic ion mirrors in combination with einzel lenses. The principle is that the injected ions travel for hundreds of revolutions inside MR-TOF-MS and ions with different masses are temporally separated. When temporal separation becomes larger than the ion bunch width, ions are extracted from the MR-TOF-MS by switching off the mirror voltages, and then arrive at a detector plane located at time focus, where an MCP detector for the mass measurement or an ion gate for the isobar separation is deployed. In this paper, simulation results for the MR-TOF-MS design using SIMION code are presented. Temporal broadenings, caused by the kinetic energy spread and the transverse emittance, were minimized by optimization of the electrode potentials, and it was demonstrated that the mass resolving power of 10 5 is achievable for the condition of an energy spread of ±30 eV and an emittance of 0.75 π*mm*mrad

  11. Methods to determine stratification efficiency of thermal energy storage processes–Review and theoretical comparison

    DEFF Research Database (Denmark)

    Haller, Michel; Cruickshank, Chynthia; Streicher, Wolfgang

    2009-01-01

    This paper reviews different methods that have been proposed to characterize thermal stratification in energy storages from a theoretical point of view. Specifically, this paper focuses on the methods that can be used to determine the ability of a storage to promote and maintain stratification...

  12. Theoretical and Experimental Methods in Hypersonic Flows (Les Methodes Theoriques et Experimentales pour l’Etude Des Ecoulements Hypersoniques)

    Science.gov (United States)

    1993-04-01

    eropaceReserchIngenieros Aeronauticos InRC.ut Bldg M-osac 10eac Departamento de Mecanica de Fluidos MntrealdgRoad Plaza del Cardenal Cisneros 3 Ottawa K I A 1)R6...PROCEEDINGS 514 OELECTE f Theoretical and A U Experimental Methods in A Hypersonic Flows (Les Methodes Th6oriques et Experimentales pour 1’Etude des ...CONFERENCE PROCEEDINGS 514 Theoretical and - Experimental Methods in Hypersonic Flows .... t ,Z (Les Mthodes Th~oriques et Exp6rimentales pour I’Etude des

  13. Blood glucose measurement in vivo using hollow-fiber based, mid-infrared ATR probe with multi-reflection prism

    Science.gov (United States)

    Kino, Saiko; Omori, Suguru; Matsuura, Yuji

    2016-03-01

    An attenuated-total-reflection (ATR), mid-infrared spectroscopy system that consists of hollow optical fibers, a trapezoidal multi-reflection ATR prism, and a conventional FT-IR spectrometer has been developed to measure blood glucose levels. Owing to the low transmission loss and high flexibility of the hollow-optical fiber, the system can measure any sites of the human body where blood capillaries are close to the surface of mucosa, such as inner lips. Using a multi-reflection prism brought about higher sensitivity, and the flat and wide contact surface of the prism resulted in higher measurement reproducibility. The results of in-vivo measurement of human inner lips showed the feasibility of the proposed system, and the measurement errors were within 20%.

  14. Synergy between experimental and theoretical methods in the exploration of homogeneous transition metal catalysis

    DEFF Research Database (Denmark)

    Lupp, Daniel; Christensen, Niels Johan; Fristrup, Peter

    2014-01-01

    n this Perspective, we will focus on the use of both experimental and theoretical methods in the exploration of reaction mechanisms in homogeneous transition metal catalysis. We briefly introduce the use of Hammett studies and kinetic isotope effects (KIE). Both of these techniques can be complem......n this Perspective, we will focus on the use of both experimental and theoretical methods in the exploration of reaction mechanisms in homogeneous transition metal catalysis. We briefly introduce the use of Hammett studies and kinetic isotope effects (KIE). Both of these techniques can...... be complemented by computational chemistry – in particular in cases where interpretation of the experimental results is not straightforward. The good correspondence between experiment and theory is only possible due to recent advances within the applied theoretical framework. We therefore also highlight...

  15. Theory in Psychology ( Review essay of Andre Kukla, Methods of Theoretical Psychology).

    NARCIS (Netherlands)

    Looren De Jong, H.; Bem, S.; Schouten, M.K.D.

    2004-01-01

    This review essay critically discusses Andre Kukla's Methods of theoretical psychology. It is argued that Kukla mistakenly tries to build his case for theorizing in psychology as a separate discipline on a dubious distinction between theory and observation. He then argues that the demise of

  16. Theoretical investigations of the new Cokriging method for variable-fidelity surrogate modeling

    DEFF Research Database (Denmark)

    Zimmermann, Ralf; Bertram, Anna

    2017-01-01

    Cokriging is a variable-fidelity surrogate modeling technique which emulates a target process based on the spatial correlation of sampled data of different levels of fidelity. In this work, we address two theoretical questions associated with the so-called new Cokriging method for variable fidelity...

  17. A method for comparison of experimental and theoretical differential neutron spectra in the Zenith reactor

    International Nuclear Information System (INIS)

    Reed, D.L.; Symons, C.R.

    1965-01-01

    A method of calculation is given which assists the analyses of chopper measurements of spectra from ZENITH and enables complex multigroup theoretical calculations of the spectra to be put into a form which may be compared with experiment. In addition the theory of the cut-off function has been extended to give analytical expressions which take into account the effects of sub-collimators, off centre slits and of a rotor made of a material partially transparent to neutrons. The theoretical cut-off function suggested shows good agreement with experiment. (author)

  18. Theoretical aspects of the rehocence method application in boiling water reactors

    International Nuclear Information System (INIS)

    Kostic, Lj.

    1982-01-01

    Theoretical aspects of a new correlation method, the so-called ''rehocence'' of ''smoothed coherence transform'', for transit time estimation in boiling water reactors are given in this paper. The used rehocence method presents the transit time directly in the same way in the ordinary cross correlation technique, but with a better resolution, even when the measured signals are contaminated by a narrow-band limited internal noise coming from the global noise of the neutron flux fluctuation. (author)

  19. Theoretical methods and design studies for NLF and HLFC swept wings at subsonic and supersonic speeds

    Science.gov (United States)

    Goradia, Suresh H.; Morgan, Harry L., Jr.

    1987-01-01

    Laminarization of the boundary layer on the surface of aircraft wings can be accomplished by the use of concepts such as Natural Laminar Flow (NLF), Laminar-Flow Control (LFC), and Hybrid Laminar-Flow Control (HLFC). Several integral boundary-layer methods were developed for the prediction of laminar, transition, and separating turbulent boundary layers. These methods were developed for use at either subsonic or supersonic speeds, have small computer execution times, and are simple to use. The theoretical equations and assumptions which form the basis of the boundary-layer method, are briefly outlined and the results of several correlation cases with exciting experimental data are presented.

  20. Theoretical reflections on the connection between environmental assessment methods and conflict

    International Nuclear Information System (INIS)

    Persson, Jesper

    2006-01-01

    Today there is a great variety of methods for evaluating the environmental impact of plans, programs and projects. But which of these methods should planners and managers choose? This theoretical article explores the connection between conflicts, communication and rationality in assessment methods. It focuses on the form (rationality) and substance of communication, i.e. what we should communicate about. The outcome supports the view that environmental assessments should be based on value- and interest-focused thinking, following a teleological ethic, when goals, alternatives and compensations are to be developed and impacts evaluated

  1. Game-theoretic methods for functional response and optimal foraging behavior

    Czech Academy of Sciences Publication Activity Database

    Cressman, R.; Křivan, Vlastimil; Brown, J. S.; Garay, J.

    2014-01-01

    Roč. 9, č. 2 (2014), e88773 E-ISSN 1932-6203 Grant - others:Hungarian National Research Fund(HU) K62000; Hungarian National Research Fund(HU) K67961 Institutional support: RVO:60077344 Keywords : game -theoretic methods Subject RIV: EH - Ecology, Behaviour Impact factor: 3.234, year: 2014 http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0088773

  2. A Graph-theoretic Pipe Network Method for water flow simulation in a porous medium: GPNM

    International Nuclear Information System (INIS)

    Xu, Z.H.; Ma, G.W.; Li, S.C.

    2014-01-01

    A new numerical simulation method for water flow in a porous medium is proposed. A porous medium is discretized graph-theoretically into a discrete pipe network. Each pipe in the oriented network is defined as a weighted element with a starting node and an ending node. Equivalent hydraulic parameters are derived based on the Darcy’s Law. A node law of flow rate and a pipe law of pressure are derived based on the conservation of mass and energy, as well as the graph-theoretic network theory. A unified governing equation for both the inner pipes and the boundary pipes are deduced. A conversion law of flow rate/velocity is proposed and discussed. A few case studies are analyzed and compared with those from analytical solutions and finite element analysis. It shows that the proposed Graph-theoretic Pipe Network Method (GPNM) is effective in analyzing water flow in a porous medium. The advantage of the proposed GPNM is that a continuous porous medium is discretized into a discrete pipe network, which is analyzed same as for a discrete fracture network. Solutions of water pressures and flow rates in the discrete pipe network are obtained by solving a system of nonhomogeneous linear equations. It is demonstrated with high efficiency and accuracy. The developed method can be extended to analyzing water flow in fractured and porous media in 3-D conditions

  3. On the Systematics of Mass Spectrometry: A New Graph-Theoretical Method

    Directory of Open Access Journals (Sweden)

    Berkay Sütay

    2016-11-01

    Full Text Available The systematic background of mass spectrometry (MS was established by using the Valency Interaction Formula theory in an efficient manner. A new graph theoretical method was developed as a pure quantum mechanical survey and applied on a variety of molecules and assemblies to elucidate the quantum mechanical systematics behind mass spectrometry. The topological indexes and graph theoretical methods in chemistry and physics as the striking features of this new method was applied onto the mass spectra of several molecules and assemblies due to the insufficiencies of the obselete fragmentation procedures. These fundamental topological indexes were determined to make quick deductions pictorially on the mass spectra of molecules. The major fragmentation pathways for several molecules, as the striking features of Mass Spectometry, were examined in a pure theoretical way and a priori decomposition products were predicted. The systematic theory was provided in the light of our examination and a great deal of qualitative information was obtained just by knowing which interactions are soft among the others. The results are of general validity in comparison with the experimental data.

  4. A Theoretical Method for Characterizing Nonlinear Effects in Paul Traps with Added Octopole Field

    Science.gov (United States)

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

    2015-08-01

    In comparison with numerical methods, theoretical characterizations of ion motion in the nonlinear Paul traps always suffer from low accuracy and little applicability. To overcome the difficulties, the theoretical harmonic balance (HB) method was developed, and was validated by the numerical fourth-order Runge-Kutta (4th RK) method. Using the HB method, analytical ion trajectory and ion motion frequency in the superimposed octopole field, ɛ, were obtained by solving the nonlinear Mathieu equation (NME). The obtained accuracy of the HB method was comparable with that of the 4th RK method at the Mathieu parameter, q = 0.6, and the applicable q values could be extended to the entire first stability region with satisfactory accuracy. Two sorts of nonlinear effects of ion motion were studied, including ion frequency shift, Δ β, and ion amplitude variation, Δ( C 2 n / C 0) ( n ≠ 0). New phenomena regarding Δ β were observed, although extensive studies have been performed based on the pseudo-potential well (PW) model. For instance, the |Δ β| at ɛ = 0.1 and ɛ = -0.1 were found to be different, but they were the same in the PW model. This is the first time the nonlinear effects regarding Δ( C 2 n / C 0) ( n ≠ 0) are studied, and the associated study has been a challenge for both theoretical and numerical methods. The nonlinear effects of Δ( C 2 n / C 0) ( n ≠ 0) and Δ β were found to share some similarities at q < 0.6: both of them were proportional to ɛ, and the square of the initial ion displacement, z(0)2.

  5. Theoretical study of the incompressible Navier-Stokes equations by the least-squares method

    Science.gov (United States)

    Jiang, Bo-Nan; Loh, Ching Y.; Povinelli, Louis A.

    1994-01-01

    Usually the theoretical analysis of the Navier-Stokes equations is conducted via the Galerkin method which leads to difficult saddle-point problems. This paper demonstrates that the least-squares method is a useful alternative tool for the theoretical study of partial differential equations since it leads to minimization problems which can often be treated by an elementary technique. The principal part of the Navier-Stokes equations in the first-order velocity-pressure-vorticity formulation consists of two div-curl systems, so the three-dimensional div-curl system is thoroughly studied at first. By introducing a dummy variable and by using the least-squares method, this paper shows that the div-curl system is properly determined and elliptic, and has a unique solution. The same technique then is employed to prove that the Stokes equations are properly determined and elliptic, and that four boundary conditions on a fixed boundary are required for three-dimensional problems. This paper also shows that under four combinations of non-standard boundary conditions the solution of the Stokes equations is unique. This paper emphasizes the application of the least-squares method and the div-curl method to derive a high-order version of differential equations and additional boundary conditions. In this paper, an elementary method (integration by parts) is used to prove Friedrichs' inequalities related to the div and curl operators which play an essential role in the analysis.

  6. Theoretical and numerical investigations into the SPRT method for anomaly detection

    International Nuclear Information System (INIS)

    Schoonewelle, H.; Hagen, T.H.J.J. van der; Hoogenboom, J.E.

    1995-01-01

    The sequential probability ratio test developed by Wald is a powerful method of testing an alternative hypothesis against a null hypothesis. This makes the method applicable for anomaly detection. In this paper the method is used to detect a change of the standard deviation of a Gaussian distributed white noise signal. The false alarm probability, the alarm failure probability and the average time to alarm of the method, which are important parameters for anomaly detection, are determined by simulation and compared with theoretical results. Each of the three parameters is presented in dependence of the other two and the ratio of the standard deviation of the anomalous signal and that of the normal signal. Results show that the method is very well suited for anomaly detection. It can detect for example a 50% change in standard deviation within 1 second with a false alarm and alarm failure rate of less than once per month. (author)

  7. Elastic Cherenkov effects in transversely isotropic soft materials-I: Theoretical analysis, simulations and inverse method

    Science.gov (United States)

    Li, Guo-Yang; Zheng, Yang; Liu, Yanlin; Destrade, Michel; Cao, Yanping

    2016-11-01

    A body force concentrated at a point and moving at a high speed can induce shear-wave Mach cones in dusty-plasma crystals or soft materials, as observed experimentally and named the elastic Cherenkov effect (ECE). The ECE in soft materials forms the basis of the supersonic shear imaging (SSI) technique, an ultrasound-based dynamic elastography method applied in clinics in recent years. Previous studies on the ECE in soft materials have focused on isotropic material models. In this paper, we investigate the existence and key features of the ECE in anisotropic soft media, by using both theoretical analysis and finite element (FE) simulations, and we apply the results to the non-invasive and non-destructive characterization of biological soft tissues. We also theoretically study the characteristics of the shear waves induced in a deformed hyperelastic anisotropic soft material by a source moving with high speed, considering that contact between the ultrasound probe and the soft tissue may lead to finite deformation. On the basis of our theoretical analysis and numerical simulations, we propose an inverse approach to infer both the anisotropic and hyperelastic parameters of incompressible transversely isotropic (TI) soft materials. Finally, we investigate the properties of the solutions to the inverse problem by deriving the condition numbers in analytical form and performing numerical experiments. In Part II of the paper, both ex vivo and in vivo experiments are conducted to demonstrate the applicability of the inverse method in practical use.

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

    International Nuclear Information System (INIS)

    Xu, Yun-Chao; Chen, Qun

    2013-01-01

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

  9. Synergy between experimental and theoretical methods in the exploration of homogeneous transition metal catalysis.

    Science.gov (United States)

    Lupp, D; Christensen, N J; Fristrup, P

    2014-08-07

    In this Perspective, we will focus on the use of both experimental and theoretical methods in the exploration of reaction mechanisms in homogeneous transition metal catalysis. We briefly introduce the use of Hammett studies and kinetic isotope effects (KIE). Both of these techniques can be complemented by computational chemistry - in particular in cases where interpretation of the experimental results is not straightforward. The good correspondence between experiment and theory is only possible due to recent advances within the applied theoretical framework. We therefore also highlight the innovations made in the last decades with emphasis on dispersion-corrected DFT and solvation models. The current state-of-the-art is highlighted using examples from the literature with particular focus on the synergy between experiment and theory.

  10. Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review

    Directory of Open Access Journals (Sweden)

    Jianyi Liu

    2014-09-01

    Full Text Available This review covers methods and recent developments of the theoretical study of domain structures in ultrathin ferroelectric films. The review begins with an introduction to some basic concepts and theories (e.g., polarization and its modern theory, ferroelectric phase transition, domain formation, and finite size effects, etc. that are relevant to the study of domain structures in ultrathin ferroelectric films. Basic techniques and recent progress of a variety of important approaches for domain structure simulation, including first-principles calculation, molecular dynamics, Monte Carlo simulation, effective Hamiltonian approach and phase field modeling, as well as multiscale simulation are then elaborated. For each approach, its important features and relative merits over other approaches for modeling domain structures in ultrathin ferroelectric films are discussed. Finally, we review recent theoretical studies on some important issues of domain structures in ultrathin ferroelectric films, with an emphasis on the effects of interfacial electrostatics, boundary conditions and external loads.

  11. A multi-reflection time-of-flight mass spectrograph for short-lived and super-heavy nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Schury, P., E-mail: schury@riken.jp [University of Tsukuba, Institute of Physics, Tsukuba City, Ibaraki (Japan); RIKEN, Nishina Center for Accelerator Based Science, Wako City, Saitama (Japan); New Mexico State University, Dept. of Chem. and BioChem., Las Cruces, NM (United States); Wada, M. [RIKEN, Nishina Center for Accelerator Based Science, Wako City, Saitama (Japan); Ito, Y. [University of Tsukuba, Institute of Physics, Tsukuba City, Ibaraki (Japan); RIKEN, Nishina Center for Accelerator Based Science, Wako City, Saitama (Japan); Naimi, S.; Sonoda, T. [RIKEN, Nishina Center for Accelerator Based Science, Wako City, Saitama (Japan); Mita, H. [University of Tsukuba, Institute of Physics, Tsukuba City, Ibaraki (Japan); RIKEN, Nishina Center for Accelerator Based Science, Wako City, Saitama (Japan); Takamine, A. [RIKEN, Nishina Center for Accelerator Based Science, Wako City, Saitama (Japan); Aoyama Gakuin University, Sagamihara, Kanagawa (Japan); Okada, K. [Sophia University, Chiyoda-ku, Tokyo (Japan); Wollnik, H. [New Mexico State University, Dept. of Chem. and BioChem., Las Cruces, NM (United States); Chon, S. [KEK, Tsukuba, Ibaraki (Japan); Haba, H.; Kaji, D. [RIKEN, Nishina Center for Accelerator Based Science, Wako City, Saitama (Japan); Koura, H. [Japan Atomic Energy Research Institute, Ibaraki (Japan); Miyatake, H. [KEK, Tsukuba, Ibaraki (Japan); Morimoto, K.; Morita, K. [RIKEN, Nishina Center for Accelerator Based Science, Wako City, Saitama (Japan); Ozawa, A. [University of Tsukuba, Institute of Physics, Tsukuba City, Ibaraki (Japan)

    2013-12-15

    Highlights: • Demonstrated very fast mass measurements with a multi-reflection time of flight mass spectrograph. • Mass resolving power of R{sub m}≈150,000 was achieved in 1.2-ms for A/q=39 ions. • Mass precision of (δm)/m =7.7×10{sup 8} was demonstrated for {sup 40}Ca{sub +}. • Effects of thermal and voltage instabilities are described. • Effects of thermal and voltage instabilities are described. -- Abstract: A multi-reflection time-of-flight (MRTOF) mass spectrograph has been implemented at RIKEN to provide high-precision mass measurements of very short-lived nuclei. Of particular interest are mass measurements of r-process nuclei and trans-uranium nuclei. In such nuclei, the MRTOF can perform on par with or better than traditional Penning trap systems. We demonstrate that the MRTOF-MS is capable of accurately attaining relative mass precision of δm/m<10{sup -7} and describe it’s utility with heavy, short-lived nuclei.

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

    Science.gov (United States)

    Williamson, Ross S; Sahani, Maneesh; Pillow, Jonathan W

    2015-04-01

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

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

    Directory of Open Access Journals (Sweden)

    Ross S Williamson

    2015-04-01

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

  14. Concepts and methods in modern theoretical chemistry electronic structure and reactivity

    CERN Document Server

    Ghosh, Swapan Kumar

    2013-01-01

    Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on the structure and reactivity of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict electronic structure and chemical reactivity. This book covers a wide range of subjects, including discussions on the followi

  15. When the Mannequin Dies, Creation and Exploration of a Theoretical Framework Using a Mixed Methods Approach.

    Science.gov (United States)

    Tripathy, Shreepada; Miller, Karen H; Berkenbosch, John W; McKinley, Tara F; Boland, Kimberly A; Brown, Seth A; Calhoun, Aaron W

    2016-06-01

    Controversy exists in the simulation community as to the emotional and educational ramifications of mannequin death due to learner action or inaction. No theoretical framework to guide future investigations of learner actions currently exists. The purpose of our study was to generate a model of the learner experience of mannequin death using a mixed methods approach. The study consisted of an initial focus group phase composed of 11 learners who had previously experienced mannequin death due to action or inaction on the part of learners as defined by Leighton (Clin Simul Nurs. 2009;5(2):e59-e62). Transcripts were analyzed using grounded theory to generate a list of relevant themes that were further organized into a theoretical framework. With the use of this framework, a survey was generated and distributed to additional learners who had experienced mannequin death due to action or inaction. Results were analyzed using a mixed methods approach. Forty-one clinicians completed the survey. A correlation was found between the emotional experience of mannequin death and degree of presession anxiety (P framework. Using the previous approach, we created a model of the effect of mannequin death on the educational and psychological state of learners. We offer the final model as a guide to future research regarding the learner experience of mannequin death.

  16. Theoretical Foundations and Practical Applications of Within-Cycle Correction Methods.

    Science.gov (United States)

    Elbasha, Elamin H; Chhatwal, Jagpreet

    2016-01-01

    Modeling guidelines recommend applying a half-cycle correction (HCC) to outcomes from discrete-time state-transition models (DTSTMs). However, there is still no consensus on why and how to perform the correction. The objective was to provide theoretical foundations for HCC and to compare (both mathematically and numerically) the performance of different correction methods in reducing errors in outcomes from DTSTMs. We defined 7 methods from the field of numerical integration: Riemann sum of rectangles (left, midpoint, right), trapezoids, life-table, and Simpson's 1/3rd and 3/8th rules. We applied these methods to a standard 3-state disease progression Markov chain to evaluate the cost-effectiveness of a hypothetical intervention. We solved the discrete- and continuous-time (our gold standard) versions of the model analytically and derived expressions for various outcomes including discounted quality-adjusted life-years, discounted costs, and incremental cost-effectiveness ratios. The standard HCC method gave the same results as the trapezoidal rule and life-table method. We found situations where applying the standard HCC can do more harm than good. Compared with the gold standard, all correction methods resulted in approximation errors. Contrary to conventional wisdom, the errors need not cancel each other out or become insignificant when incremental outcomes are calculated. We found that a wrong decision can be made with a less accurate method. The performance of each correction method vastly improved when a shorter cycle length was selected; Simpson's 1/3rd rule was the fastest method to converge to the gold standard. Cumulative outcomes in DTSTMs are prone to errors that can be reduced with more accurate methods like Simpson's rules. We clarified several misconceptions and provided recommendations and algorithms for practical implementation of these methods. © The Author(s) 2015.

  17. Using a fuzzy comprehensive evaluation method to determine product usability: A proposed theoretical framework.

    Science.gov (United States)

    Zhou, Ronggang; Chan, Alan H S

    2017-01-01

    In order to compare existing usability data to ideal goals or to that for other products, usability practitioners have tried to develop a framework for deriving an integrated metric. However, most current usability methods with this aim rely heavily on human judgment about the various attributes of a product, but often fail to take into account of the inherent uncertainties in these judgments in the evaluation process. This paper presents a universal method of usability evaluation by combining the analytic hierarchical process (AHP) and the fuzzy evaluation method. By integrating multiple sources of uncertain information during product usability evaluation, the method proposed here aims to derive an index that is structured hierarchically in terms of the three usability components of effectiveness, efficiency, and user satisfaction of a product. With consideration of the theoretical basis of fuzzy evaluation, a two-layer comprehensive evaluation index was first constructed. After the membership functions were determined by an expert panel, the evaluation appraisals were computed by using the fuzzy comprehensive evaluation technique model to characterize fuzzy human judgments. Then with the use of AHP, the weights of usability components were elicited from these experts. Compared to traditional usability evaluation methods, the major strength of the fuzzy method is that it captures the fuzziness and uncertainties in human judgments and provides an integrated framework that combines the vague judgments from multiple stages of a product evaluation process.

  18. Theoretical model and experimental verification on the PID tracking method using liquid crystal optical phased array

    Science.gov (United States)

    Wang, Xiangru; Xu, Jianhua; Huang, Ziqiang; Wu, Liang; Zhang, Tianyi; Wu, Shuanghong; Qiu, Qi

    2017-02-01

    Liquid crystal optical phased array (LC-OPA) has been considered with great potential on the non-mechanical laser deflector because it is fabricated using photolithographic patterning technology which has been well advanced by the electronics and display industry. As a vital application of LC-OPA, free space laser communication has demonstrated its merits on communication bandwidth. Before data communication, ATP (acquisition, tracking and pointing) process costs relatively long time to result in a bottle-neck of free space laser communication. Meanwhile, dynamic real time accurate tracking is sensitive to keep a stable communication link. The electro-optic medium liquid crystal with low driving voltage can be used as the laser beam deflector. This paper presents a fast-track method using liquid crystal optical phased array as the beam deflector, CCD as a beacon light detector. PID (Proportion Integration Differentiation) loop algorithm is introduced as the controlling algorithm to generate the corresponding steering angle. To achieve the goal of fast and accurate tracking, theoretical analysis and experimental verification are demonstrated that PID closed-loop system can suppress the attitude random vibration. Meanwhile, theoretical analysis shows that tracking accuracy can be less than 6.5μrad, with a relative agreement with experimental results which is obtained after 10 adjustments that the tracking accuracy is less than12.6μrad.

  19. In-depth study of in-trap high-resolution mass separation by transversal ion ejection from a multi-reflection time-of-flight device.

    Science.gov (United States)

    Fischer, Paul; Knauer, Stefan; Marx, Gerrit; Schweikhard, Lutz

    2018-01-01

    The recently introduced method of ion separation by transversal ejection of unwanted species in electrostatic ion-beam traps and multi-reflection time-of-flight devices has been further studied in detail. As this separation is performed during the ion storage itself, there is no need for additional external devices such as ion gates or traps for either pre- or postselection of the ions of interest. The ejection of unwanted contaminant ions is performed by appropriate pulses of the potentials of deflector electrodes. These segmented ring electrodes are located off-center in the trap, i.e., between one of the two ion mirrors and the central drift tube, which also serves as a potential lift for capturing incoming ions and axially ejecting ions of interest after their selection. The various parameters affecting the selection effectivity and resolving power are illustrated with tin-cluster measurements, where isotopologue ion species provide mass differences down to a single atomic mass unit at ion masses of several hundred. Symmetric deflection voltages of only 10 V were found sufficient for the transversal ejection of ion species with as few as three deflection pulses. The duty cycle, i.e., the pulse duration with respect to the period of ion revolution, has been varied, resulting in resolving powers of up to several tens of thousands for this selection technique.

  20. First on-line applications of multi-reflection time-of-flight mass separator at ISOLTRAP and the mass measurement of $^{82}$Zn

    CERN Document Server

    Wolf, Robert

    This thesis describes the implementation and first on-line application of a multi-reflection time-of-flight (MR-ToF) mass analyzer for high-resolution mass separation at the ISOLTRAP mass spectrometer at ISOLDE/CERN. On the one hand, the major objective was to improve ISOLTRAPs mass-measurement capabilities with respect to the ratio of delivered contaminating ions to ions of interest. On the other hand, the time necessary to purify wanted from unwanted species should be reduced as much as possible to enable access to even more exotic nuclei. The device has been set up, optimized and tested at the University of Greifswald before its move to ISOLTRAP. The achieved performance comprises mass resolving powers of up to 200000 reached at observation times of 30ms and a contamination suppression of about four orders of magnitude by use of a Bradbury-Nielsen gate. With the characteristics, it outperforms clearly the so far state-of-the-art purification method of a gas-filled Penning trap. To improve the utilization o...

  1. Compensating for Electrode Polarization in Dielectric Spectroscopy Studies of Colloidal Suspensions: Theoretical Assessment of Existing Methods

    Science.gov (United States)

    Chassagne, Claire; Dubois, Emmanuelle; Jiménez, María L.; van der Ploeg, J. P. M; van Turnhout, Jan

    2016-01-01

    Dielectric spectroscopy can be used to determine the dipole moment of colloidal particles from which important interfacial electrokinetic properties, for instance their zeta potential, can be deduced. Unfortunately, dielectric spectroscopy measurements are hampered by electrode polarization (EP). In this article, we review several procedures to compensate for this effect. First EP in electrolyte solutions is described: the complex conductivity is derived as function of frequency, for two cell geometries (planar and cylindrical) with blocking electrodes. The corresponding equivalent circuit for the electrolyte solution is given for each geometry. This equivalent circuit model is extended to suspensions. The complex conductivity of a suspension, in the presence of EP, is then calculated from the impedance. Different methods for compensating for EP are critically assessed, with the help of the theoretical findings. Their limit of validity is given in terms of characteristic frequencies. We can identify with one of these frequencies the frequency range within which data uncorrected for EP may be used to assess the dipole moment of colloidal particles. In order to extract this dipole moment from the measured data, two methods are reviewed: one is based on the use of existing models for the complex conductivity of suspensions, the other is the logarithmic derivative method. An extension to multiple relaxations of the logarithmic derivative method is proposed. PMID:27486575

  2. A theoretical model for metal-graphene contact resistance using a DFT-NEGF method.

    Science.gov (United States)

    Ji, Xiang; Zhang, Jinyu; Wang, Yan; Qian, He; Yu, Zhiping

    2013-11-07

    The contact resistance (R(c)) between graphene and metal electrodes is of crucial importance for achieving potentially high performances for graphene devices. However, previous analytical models based on Landauer's approach have failed to include the Fermi velocity difference between the graphene under the metal and the pure graphene channel. Hereby we report a theoretical model to estimate the R(c) using density-functional theory and non-equilibrium Green's function methods. Our model not only presents a clear physical picture of the metal-graphene contacts, but also generates R(c) values which are in good agreement with the experimental results: 210 Ω μm for double-sided Pd contacts compared with 403 Ω μm for single-sided Pd contact.

  3. Identification of Essential Characteristics of Fixed Assets: Theoretical and Methodical Aspects

    Directory of Open Access Journals (Sweden)

    Zinkevych Oksana V.

    2013-11-01

    Full Text Available The goal of the article lies in the study of the economic essence of fixed assets. Analysing, systemising and generalising scientific works of a number of scientists, the article considers theoretical and methodical approaches with respect to the general economic and applied interpretation of the economic essence of fixed assets. In the result of the conducted study the article marks out expediency of consideration of the essence of fixed assets using the system approach, which allows taking into consideration possible cause-effect and functional relations and dependencies, economic relations and phenomena connected with their composition, motion and use; it marks out the most significant sides and characteristic features of fixed assets as objects of business accounting and economic analysis. The prospect of further studies in this direction is improvement of grouping of classification properties of fixed assets for business accounting and economic analysis with consideration of their specified essential characteristics.

  4. Theoretical determination of chemical rate constants using novel time-dependent methods

    Science.gov (United States)

    Dateo, Christopher E.

    1994-01-01

    The work completed within the grant period 10/1/91 through 12/31/93 falls primarily in the area of reaction dynamics using both quantum and classical mechanical methodologies. Essentially four projects have been completed and have been or are in preparation of being published. The majority of time was spent in the determination of reaction rate coefficients in the area of hydrocarbon fuel combustion reactions which are relevant to NASA's High Speed Research Program (HSRP). These reaction coefficients are important in the design of novel jet engines with low NOx emissions, which through a series of catalytic reactions contribute to the deterioration of the earth's ozone layer. A second area of research studied concerned the control of chemical reactivity using ultrashort (femtosecond) laser pulses. Recent advances in pulsed-laser technologies have opened up a vast new field to be investigated both experimentally and theoretically. The photodissociation of molecules adsorbed on surfaces using novel time-independent quantum mechanical methods was a third project. And finally, using state-of-the-art, high level ab initio electronic structure methods in conjunction with accurate quantum dynamical methods, the rovibrational energy levels of a triatomic molecule with two nonhydrogen atoms (HCN) were calculated to unprecedented levels of agreement between theory and experiment.

  5. Decomposition of overlapping protein complexes: A graph theoretical method for analyzing static and dynamic protein associations

    Directory of Open Access Journals (Sweden)

    Guimarães Katia S

    2006-04-01

    Full Text Available Abstract Background Most cellular processes are carried out by multi-protein complexes, groups of proteins that bind together to perform a specific task. Some proteins form stable complexes, while other proteins form transient associations and are part of several complexes at different stages of a cellular process. A better understanding of this higher-order organization of proteins into overlapping complexes is an important step towards unveiling functional and evolutionary mechanisms behind biological networks. Results We propose a new method for identifying and representing overlapping protein complexes (or larger units called functional groups within a protein interaction network. We develop a graph-theoretical framework that enables automatic construction of such representation. We illustrate the effectiveness of our method by applying it to TNFα/NF-κB and pheromone signaling pathways. Conclusion The proposed representation helps in understanding the transitions between functional groups and allows for tracking a protein's path through a cascade of functional groups. Therefore, depending on the nature of the network, our representation is capable of elucidating temporal relations between functional groups. Our results show that the proposed method opens a new avenue for the analysis of protein interaction networks.

  6. 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.

  7. TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation

    International Nuclear Information System (INIS)

    Moura, K.F.; Maul, J.; Albuquerque, A.R.; Casali, G.P.; Longo, E.; Keyson, D.; Souza, A.G.; Sambrano, J.R.; Santos, I.M.G.

    2014-01-01

    In this study, a microwave assisted solvothermal method was used to synthesize TiO 2 with anatase structure. The synthesis was done using Ti (IV) isopropoxide and ethanol without templates or alkalinizing agents. Changes in structural features were observed with increasing time of synthesis and evaluated using periodic quantum chemical calculations. The anatase phase was obtained after only 1 min of reaction besides a small amount of brookite phase. Experimental Raman spectra are in accordance with the theoretical one. Micrometric spheres constituted by nanometric particles were obtained for synthesis from 1 to 30 min, while spheres and sticks were observed after 60 min. - Graphical abstract: FE-SEM images of anatase obtained with different periods of synthesis associated with the order–disorder degree. Display Omitted - Highlights: • Anatase microspheres were obtained by the microwave assisted hydrothermal method. • Only ethanol and titanium isopropoxide were used as precursors during the synthesis. • Raman spectra and XRD patterns were compared with quantum chemical calculations. • Time of synthesis increased the short-range disorder in one direction and decreased in another

  8. Theoretical study of the electronic structure of f-element complexes by quantum chemical methods

    International Nuclear Information System (INIS)

    Vetere, V.

    2002-09-01

    This thesis is related to comparative studies of the chemical properties of molecular complexes containing lanthanide or actinide trivalent cations, in the context of the nuclear waste disposal. More precisely, our aim was a quantum chemical analysis of the metal-ligand bonding in such species. Various theoretical approaches were compared, for the inclusion of correlation (density functional theory, multiconfigurational methods) and of relativistic effects (relativistic scalar and 2-component Hamiltonians, relativistic pseudopotentials). The performance of these methods were checked by comparing computed structural properties to published experimental data, on small model systems: lanthanide and actinide tri-halides and on X 3 M-L species (X=F, Cl; M=La, Nd, U; L = NH 3 , acetonitrile, CO). We have thus shown the good performance of density functionals combined with a quasi-relativistic method, as well as of gradient-corrected functionals associated with relativistic pseudopotentials. In contrast, functionals including some part of exact exchange are less reliable to reproduce experimental trends, and we have given a possible explanation for this result . Then, a detailed analysis of the bonding has allowed us to interpret the discrepancies observed in the structural properties of uranium and lanthanides complexes, based on a covalent contribution to the bonding, in the case of uranium(III), which does not exist in the lanthanide(III) homologues. Finally, we have examined more sizeable systems, closer to experimental species, to analyse the influence of the coordination number, of the counter-ions and of the oxidation state of uranium, on the metal-ligand bonding. (author)

  9. The phantom derivative method when a structure model is available: about its theoretical basis.

    Science.gov (United States)

    Burla, Maria Cristina; Cascarano, Giovanni Luca; Giacovazzo, Carmelo; Polidori, Giampiero

    2017-05-01

    This study clarifies why, in the phantom derivative (PhD) approach, randomly created structures can help in refining phases obtained by other methods. For this purpose the joint probability distribution of target, model, ancil and phantom derivative structure factors and its conditional distributions have been studied. Since PhD may use n phantom derivatives, with n ≥ 1, a more general distribution taking into account all the ancil and derivative structure factors has been considered, from which the conditional distribution of the target phase has been derived. The corresponding conclusive formula contains two components. The first is the classical Srinivasan & Ramachandran term, relating the phases of the target structure with the model phases. The second arises from the combination of two correlations: that between model and derivative (the first is a component of the second) and that between derivative and target. The second component mathematically codifies the information on the target phase arising from model and derivative electron-density maps. The result is new, and explains why a random structure, uncorrelated with the target structure, adds useful information on the target phases, provided a model structure is known. Some experimental tests aimed at checking if the second component really provides information on ϕ (the target phase) were performed; the favourable results confirm the correctness of the theoretical calculations and of the corresponding analysis.

  10. Theoretical prediction of hysteretic rubber friction in ball on plate configuration by finite element method

    Directory of Open Access Journals (Sweden)

    2009-11-01

    Full Text Available This paper has investigated theoretically the influence of sliding speed and temperature on the hysteretic friction in case of a smooth, reciprocating steel ball sliding on smooth rubber plate by finite element method (FEM. Generalized Maxwell-models combined with Mooney-Rivlin model have been used to describe the material behaviour of the ethylenepropylene-diene-monomer (EPDM rubber studied. Additionally, the effect of the technique applied at the parameter identification of the material model and the number of Maxwell elements on the coefficient of friction (COF was also investigated. Finally, the open parameter of the Greenwood-Tabor analytical model has been determined from a fit to the FE results. By fitting, as usual, the Maxwell-model to the storage modulus master curve the predicted COF, in a broad frequency range, will be underestimated even in case of 40-term Maxwell-model. To obtain more accurate numerical prediction or to provide an upper limit for the hysteretic friction, in the interesting frequency range, the Maxwell parameters should be determined, as proposed, from a fit to the measured loss factor master curve. This conclusion can be generalized for all the FE simulations where the hysteresis plays an important role.

  11. THEORETICAL AND METHODICAL APPROACHES TO THE FORMATION AND EVALUATION OF THE QUALITY OF TOURIST SERVICES

    Directory of Open Access Journals (Sweden)

    Nataliya Vasylykha

    2017-12-01

    Full Text Available The study, the results of which are described in the article, is devoted to analysing and substantiating approaches to the assessment and quality assurance of tourism services, which form their competitiveness, namely factors and indicators of quality. After all, the integration and globalization of the world society determine the development of tourism as a catalyst for these global processes, and world practice has proved that tourism can be an effective way to solve many socio-economic problems. The subject of the study is the peculiarities of assessing the quality of tourist services. Methodology. The methodological basis of the work is a system of general scientific and special scientific methods, mainly, in the process of research, there are used such methods as system-analytical and dialectical methods – for the theoretical generalization of the investigated material; structural and logical method – in systematizing factors and indicators of the quality of tourist services. The purpose of the article is a theoretical justification of approaches to the quality of tourist services and optimization of their quality assessment. In the research, approaches to the interpretation of the concept of quality are presented and analysed, features of services in general and tourism in particular are concentrated, and it is suggested to group and classify factors and indicators of their quality. The interpretation of the notion of quality is ambiguous, both in Ukrainian and in foreign literary sources, and depends on the point of view on this notion. In our opinion, the most thorough definition characterizes the quality of products and services as a complex feature that determines their suitability to the needs of the consumer. Taking into account the specificity of the term “service”, peculiarities determining the approaches to their evaluation are studied, such a service can be considered a product dominated by intangible elements and also

  12. PREFACE: XXXth International Colloquium on Group Theoretical Methods in Physics (ICGTMP) (Group30)

    Science.gov (United States)

    Brackx, Fred; De Schepper, Hennie; Van der Jeugt, Joris

    2015-04-01

    The XXXth International Colloquium on Group Theoretical Methods in Physics (ICGTMP), also known as the Group30 conference, took place in Ghent (Belgium) from Monday 14 to Friday 18 July 2014. The conference was organised by Ghent University (Department of Applied Mathematics, Computer Science and Statistics, and Department of Mathematical Analysis). The website http://www.group30.ugent.be is still available. The ICGTMP is one of the traditional conference series covering the most important topics of symmetry which are relevant to the interplay of present-day mathematics and physics. More than 40 years ago a group of enthusiasts, headed by H. Bacry of Marseille and A. Janner of Nijmegen, initiated a series of annual meetings with the aim to provide a common forum for scientists interested in group theoretical methods. At that time most of the participants belonged to two important communities: on the one hand solid state specialists, elementary particle theorists and phenomenologists, and on the other mathematicians eager to apply newly-discovered group and algebraic structures. The conference series has become a meeting point for scientists working at modelling physical phenomena through mathematical and numerical methods based on geometry and symmetry. It is considered as the oldest one among the conference series devoted to geometry and physics. It has been further broadened and diversified due to the successful applications of geometric and algebraic methods in life sciences and other areas. The first four meetings took place alternatively in Marseille and Nijmegen. Soon after, the conference acquired an international standing, especially following the 1975 colloquium in Nijmegen and the 1976 colloquium in Montreal. Since then it has been organized in many places around the world. It has become a bi-annual colloquium since 1990, the year it was organized in Moscow. This was the first time the colloquium took place in Belgium. There were 246 registered

  13. Maintenance and methods of forming theoretical knowledge and methodical and practical abilities in area of physical culture for students, future specialists on social work

    Directory of Open Access Journals (Sweden)

    Leyfa A.V.

    2009-12-01

    Full Text Available The value of theoretical knowledge, methodical, practical studies, skills in forming physical activity of students is rotined. The level of mastering of components of physical activity is closely associate with the basic blocks of professional preparation of students and their future professional activity. Theoretical knowledge on discipline the «Physical culture» assist the certain affecting depth and breadth of mastering of knowledge of professional preparation.

  14. Comparison of two mean-field based theoretical analysis methods for SIS model

    Science.gov (United States)

    Zhang, Jiaquan; Lu, Dan; Yang, Shunkun

    2017-11-01

    Epidemic spreading has been intensively studied in SIS epidemic model. Although the mean-field theory of SIS model has been widely used in the research, there is a lack of comparative results between different theoretical calculations, and the differences between them should be systematically explained. In this paper, we have compared different theoretical solutions for mean-field theory and explained the underlying reason. We first describe the differences between different equations for mean-field theory in different networks. The results show that the difference between mean-field reaction equations is due to the different probability consideration for the infection process. This finding will help us to design better theoretical solutions for epidemic models.

  15. Basic course theoretical physics 5/2. Quantum mechanics - methods and applications. 7. upd. ed.

    International Nuclear Information System (INIS)

    Nolting, Wolfgang

    2012-01-01

    The favourite basic course theoretical physics covers in seven volumes all for the diploma and bachelor/master curricula decisive fields. Each volume mediates well considerably the theoretic-physical knowledge necessary in each semester. Numerous exercise problems with extended solutions serve for the deepening of the matter. The second part of the fifth volume deals with application and the extension of the concept of quantum mechanics developed in the first part. The present new edition contains some new problems, was worked out, and supplemented. It makes by the two-colour presentation a very distinct and fast access to the subject of teaching.

  16. Three-dimensional Representation Method Using Pressure, Time, and Number of Theoretical Plates to Analyze Separation Conditions in HPLC Columns.

    Science.gov (United States)

    Ito, Masahito; Shimizu, Katsutoshi; Nakatani, Kiyoharu

    2018-01-01

    There has been considerable discussion of the speed performance of HPLC separation, especially regarding the relationship between theoretical plates and hold-up time. The fundamental discussion focuses on the optimal velocity, u 0,opt , which gives a minimal height equivalent to a theoretical plate of the van Deemter plot. On the other hand, Desmet's method, using the kinetic performance limit (KPL), calculates the highest performance with a constant pressure drop, without focusing solely on the optimal velocity. In this paper, a precise method based on the KPL is proposed, to understand how increasing pressure enhances both theoretical plates and hold-up time. A three-dimensional representation method that combines the pressure drop with two axes of time and theoretical plates will be useful for discussing the effect of pressure in pressure-driven chromatography. Using three dimensions, the methods based on u 0,opt and the KPL can be combined, because u 0,opt can be visualized three-dimensionally, including the neighbor of u 0,opt ; and the question of whether the KPL is an asymptotic or effective limit can be investigated. Three performances of high resolution, high speed, and low pressure can be understood on different packing supports at a glance.

  17. Transactors, Transformers and Beyond. A Multi-Method Development of a Theoretical Typology of Leadership.

    Science.gov (United States)

    Pearce, Craig L.; Sims, Henry P., Jr.; Cox, Jonathan F.; Ball, Gail; Schnell, Eugene; Smith, Ken A.; Trevino, Linda

    2003-01-01

    To extend the transactional-transformational model of leadership, four theoretical behavioral types of leadership were developed based on literature review and data from studies of executive behavior (n=253) and subordinate attitudes (n=208). Confirmatory factor analysis of a third data set (n=702) support the existence of four leadership types:…

  18. Theoretical Background for Predicting the Properties of Petroleum Fluids via Group Contribution Methods

    Czech Academy of Sciences Publication Activity Database

    Bogdanić, Grozdana; Pavlíček, Jan; Wichterle, Ivan

    2012-01-01

    Roč. 42, SI (2012), s. 1873-1878 E-ISSN 1877-7058. [International Congress of Chemical and Process Engineering CHISA 2012 and 15th Conference PRES 2012 /20./. Prague, 25.08.2012-29.08.2012] Institutional support: RVO:67985858 Keywords : petroleum fluids * prediction * physico-chemical properties Subject RIV: CF - Physical ; Theoretical Chemistry

  19. A decision-theoretic approach to collaboration: Principal description methods and efficient heuristic approximations

    NARCIS (Netherlands)

    Oliehoek, F.A.; Visser, A.; Babuška, R.; Groen, F.C.A

    2010-01-01

    This chapter gives an overview of the state of the art in decision-theoretic models to describe cooperation between multiple agents in a dynamic environment. Making (near-) optimal decisions in such settings gets harder when the number of agents grows or the uncertainty about the environment

  20. Quantitative structure-activity relationship modeling of polycyclic aromatic hydrocarbon mutagenicity by classification methods based on holistic theoretical molecular descriptors.

    Science.gov (United States)

    Gramatica, Paola; Papa, Ester; Marrocchi, Assunta; Minuti, Lucio; Taticchi, Aldo

    2007-03-01

    Various polycyclic aromatic hydrocarbons (PAHs), ubiquitous environmental pollutants, are recognized mutagens and carcinogens. A homogeneous set of mutagenicity data (TA98 and TA100,+S9) for 32 benzocyclopentaphenanthrenes/chrysenes was modeled by the quantitative structure-activity relationship classification methods k-nearest neighbor and classification and regression tree, using theoretical holistic molecular descriptors. Genetic algorithm provided the selection of the best subset of variables for modeling mutagenicity. The models were validated by leave-one-out and leave-50%-out approaches and have good performance, with sensitivity and specificity ranges of 90-100%. Mutagenicity assessment for these PAHs requires only a few theoretical descriptors of their molecular structure.

  1. Fish stock assessment under data limitations developing a new method based on a size-structured theoretical ecology framework

    DEFF Research Database (Denmark)

    Kokkalis, Alexandros

    -series. The method provides estimates of fishing mortality and the FMSY reference point, it is tested and validated, and is implemented as software package making it easy to use by stakeholders of different levels. The basis of the method is a size-based theoretical ecology framework that describes exploited fish...... catch is known, important quantities about the stock (e.g. biomass of spawners, recruitment) can be quantified. The method is tested using simulated data and validated using a subset of available data from data-rich fish stocks. The implementation of the method as a software package in the R programming...

  2. Implementation of 2D Discrete Wavelet Transform by Number Theoretic Transform and 2D Overlap-Save Method

    Directory of Open Access Journals (Sweden)

    Lina Yang

    2014-01-01

    Full Text Available To reduce the computation complexity of wavelet transform, this paper presents a novel approach to be implemented. It consists of two key techniques: (1 fast number theoretic transform(FNTT In the FNTT, linear convolution is replaced by the circular one. It can speed up the computation of 2D discrete wavelet transform. (2 In two-dimensional overlap-save method directly calculating the FNTT to the whole input sequence may meet two difficulties; namely, a big modulo obstructs the effective implementation of the FNTT and a long input sequence slows the computation of the FNTT down. To fight with such deficiencies, a new technique which is referred to as 2D overlap-save method is developed. Experiments have been conducted. The fast number theoretic transform and 2D overlap-method have been used to implement the dyadic wavelet transform and applied to contour extraction in pattern recognition.

  3. Current and future prospects for the application of systematic theoretical methods to the study of problems in physical oceanography

    Energy Technology Data Exchange (ETDEWEB)

    Constantin, A., E-mail: adrian.constantin@kcl.ac.uk [Department of Mathematics, King' s College London, Strand, London WC2R 2LS (United Kingdom); Faculty of Mathematics, University of Vienna, Oskar-Morgenstern-Platz 1, 1090 Vienna (Austria); Johnson, R.S., E-mail: r.s.johnson@ncl.ac.uk [School of Mathematics & Statistics, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom)

    2016-09-07

    Highlights: • Systematic theoretical methods in studies of equatorial ocean dynamics. • Linear wave-current interactions in stratified flows. • Exact solutions – Kelvin waves, azimuthal non-uniform currents. • Three-dimensional nonlinear currents. • Hamiltonian formulation for the governing equations and for structure-preserving/enhancing approximations. - Abstract: This essay is a commentary on the pivotal role of systematic theoretical methods in physical oceanography. At some level, there will always be a conflict between theory and experiment/data collection: Which is pre-eminent? Which should come first? This issue appears to be particularly marked in physical oceanography, to the extreme detriment of the development of the subject. It is our contention that the classical theory of fluids, coupled with methods from the theory of differential equations, can play a significant role in carrying the subject, and our understanding, forward. We outline the philosophy behind a systematic theoretical approach, highlighting some aspects of equatorial ocean dynamics where these methods have already been successful, paving the way for much more in the future and leading, we expect, to the better understanding of this and many other types of ocean flow. We believe that the ideas described here promise to reveal a rich and beautiful dynamical structure.

  4. Current and future prospects for the application of systematic theoretical methods to the study of problems in physical oceanography

    International Nuclear Information System (INIS)

    Constantin, A.; Johnson, R.S.

    2016-01-01

    Highlights: • Systematic theoretical methods in studies of equatorial ocean dynamics. • Linear wave-current interactions in stratified flows. • Exact solutions – Kelvin waves, azimuthal non-uniform currents. • Three-dimensional nonlinear currents. • Hamiltonian formulation for the governing equations and for structure-preserving/enhancing approximations. - Abstract: This essay is a commentary on the pivotal role of systematic theoretical methods in physical oceanography. At some level, there will always be a conflict between theory and experiment/data collection: Which is pre-eminent? Which should come first? This issue appears to be particularly marked in physical oceanography, to the extreme detriment of the development of the subject. It is our contention that the classical theory of fluids, coupled with methods from the theory of differential equations, can play a significant role in carrying the subject, and our understanding, forward. We outline the philosophy behind a systematic theoretical approach, highlighting some aspects of equatorial ocean dynamics where these methods have already been successful, paving the way for much more in the future and leading, we expect, to the better understanding of this and many other types of ocean flow. We believe that the ideas described here promise to reveal a rich and beautiful dynamical structure.

  5. Comparison of information-theoretic to statistical methods for gene-gene interactions in the presence of genetic heterogeneity

    Directory of Open Access Journals (Sweden)

    Sucheston Lara

    2010-09-01

    Full Text Available Abstract Background Multifactorial diseases such as cancer and cardiovascular diseases are caused by the complex interplay between genes and environment. The detection of these interactions remains challenging due to computational limitations. Information theoretic approaches use computationally efficient directed search strategies and thus provide a feasible solution to this problem. However, the power of information theoretic methods for interaction analysis has not been systematically evaluated. In this work, we compare power and Type I error of an information-theoretic approach to existing interaction analysis methods. Methods The k-way interaction information (KWII metric for identifying variable combinations involved in gene-gene interactions (GGI was assessed using several simulated data sets under models of genetic heterogeneity driven by susceptibility increasing loci with varying allele frequency, penetrance values and heritability. The power and proportion of false positives of the KWII was compared to multifactor dimensionality reduction (MDR, restricted partitioning method (RPM and logistic regression. Results The power of the KWII was considerably greater than MDR on all six simulation models examined. For a given disease prevalence at high values of heritability, the power of both RPM and KWII was greater than 95%. For models with low heritability and/or genetic heterogeneity, the power of the KWII was consistently greater than RPM; the improvements in power for the KWII over RPM ranged from 4.7% to 14.2% at for α = 0.001 in the three models at the lowest heritability values examined. KWII performed similar to logistic regression. Conclusions Information theoretic models are flexible and have excellent power to detect GGI under a variety of conditions that characterize complex diseases.

  6. Solar EUV/FUV line polarimetry. I - Observational parameters and theoretical considerations. II - Instruments and methods

    Science.gov (United States)

    Fineschi, Silvano; Hoover, Richard B.; Fontenla, Juan M.; Walker, Arthur B. C., Jr.

    1991-01-01

    The paper discusses theoretical considerations and presents the observational parameters for the development of reflective FUV coronagraph/polarimeter and EUV imaging polarimeter instruments. New EUV/FUV polarimeter instrument concepts for solar research are described. One of these is a new coronagraph/polarimeter operating at 1215.6 A, which could observe the neutral hydrogen Ly-alpha line in the near solar corona and lead to the first direct measurements of both the strength and the direction of coronal magnetic fields. The other is a new multilayer EUV imaging polarimeter, operating at the wavelengths of strong He emission lines, which could observe impact polarization phenomena and provide information concerning the relative importance of thermal and nonthermal processes in solar flares.

  7. A Game Theoretic Optimization Method for Energy Efficient Global Connectivity in Hybrid Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    JongHyup Lee

    2016-08-01

    Full Text Available For practical deployment of wireless sensor networks (WSN, WSNs construct clusters, where a sensor node communicates with other nodes in its cluster, and a cluster head support connectivity between the sensor nodes and a sink node. In hybrid WSNs, cluster heads have cellular network interfaces for global connectivity. However, when WSNs are active and the load of cellular networks is high, the optimal assignment of cluster heads to base stations becomes critical. Therefore, in this paper, we propose a game theoretic model to find the optimal assignment of base stations for hybrid WSNs. Since the communication and energy cost is different according to cellular systems, we devise two game models for TDMA/FDMA and CDMA systems employing power prices to adapt to the varying efficiency of recent wireless technologies. The proposed model is defined on the assumptions of the ideal sensing field, but our evaluation shows that the proposed model is more adaptive and energy efficient than local selections.

  8. Electron transfer driven decomposition of adenine and selected analogs as probed by experimental and theoretical methods

    Science.gov (United States)

    Cunha, T.; Mendes, M.; Ferreira da Silva, F.; Eden, S.; García, G.; Bacchus-Montabonel, M.-C.; Limão-Vieira, P.

    2018-04-01

    We report on a combined experimental and theoretical study of electron-transfer-induced decomposition of adenine (Ad) and a selection of analog molecules in collisions with potassium (K) atoms. Time-of-flight negative ion mass spectra have been obtained in a wide collision energy range (6-68 eV in the centre-of-mass frame), providing a comprehensive investigation of the fragmentation patterns of purine (Pu), adenine (Ad), 9-methyl adenine (9-mAd), 6-dimethyl adenine (6-dimAd), and 2-D adenine (2-DAd). Following our recent communication about selective hydrogen loss from the transient negative ions (TNIs) produced in these collisions [T. Cunha et al., J. Chem. Phys. 148, 021101 (2018)], this work focuses on the production of smaller fragment anions. In the low-energy part of the present range, several dissociation channels that are accessible in free electron attachment experiments are absent from the present mass spectra, notably NH2 loss from adenine and 9-methyl adenine. This can be understood in terms of a relatively long transit time of the K+ cation in the vicinity of the TNI tending to enhance the likelihood of intramolecular electron transfer. In this case, the excess energy can be redistributed through the available degrees of freedom inhibiting fragmentation pathways. Ab initio theoretical calculations were performed for 9-methyl adenine (9-mAd) and adenine (Ad) in the presence of a potassium atom and provided a strong basis for the assignment of the lowest unoccupied molecular orbitals accessed in the collision process.

  9. Vibrations and acoustic radiation of thin structures: physical basis, theoretical analysis and numerical methods

    National Research Council Canada - National Science Library

    Filippi, P

    2008-01-01

    ... . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.1.1 General Considerations on Thin Structures . . . . . . . 1.1.2 Overview of the Energy Method . . . . . . . . . . . . . 1.2 Thin Plates...

  10. EXPLANATORY METHODS OF MARKETING DATA ANALYSIS – THEORETICAL AND METHODOLOGICAL CONSIDERATIONS

    Directory of Open Access Journals (Sweden)

    Rozalia GABOR

    2010-01-01

    Full Text Available Explanatory methods of data analysis – also named by some authors supervised learning methods - enable researchers to identify and analyse configurations of relations between two or several variables, most of them with a high accuracy, as there is possibility of testing statistic significance by calculating the confidence level associated with validation of relation concerned across the entire population and not only the surveyed sample. The paper shows some of these methods, respectively: variance analysis, covariance analysis, segmentation and discriminant analysis with the mention - for every method – of applicability area for marketing research.

  11. Unified Theoretical Frame of a Joint Transmitter-Receiver Reduced Dimensional STAP Method for an Airborne MIMO Radar

    Directory of Open Access Journals (Sweden)

    Guo Yiduo

    2016-10-01

    Full Text Available The unified theoretical frame of a joint transmitter-receiver reduced dimensional Space-Time Adaptive Processing (STAP method is studied for an airborne Multiple-Input Multiple-Output (MIMO radar. First, based on the transmitted waveform diverse characteristics of the transmitted waveform of the airborne MIMO radar, a uniform theoretical frame structure for the reduced dimensional joint adaptive STAP is constructed. Based on it, three reduced dimensional STAP fixed structures are established. Finally, three reduced rank STAP algorithms, which are suitable for a MIMO system, are presented corresponding to the three reduced dimensional STAP fixed structures. The simulations indicate that the joint adaptive algorithms have preferable clutter suppression and anti-interference performance.

  12. A precise theoretical method for high- throughput screening of novel organic electrode materials for Li-ion batteries

    Directory of Open Access Journals (Sweden)

    Wanwan Zhang

    2017-09-01

    Full Text Available Organic electrode materials have gained significant attention due to their flexibility, lightweight characteristics, abundant resources in nature, and low CO2 emission. It's urgently needed for setting up an accurate high-throughput screening theoretical scheme that could find out possible candidates of electrode materials. Currently, the error between the theoretical potentials calculated by the PBE-D2 (DFT-D2, dispersion-corrected density functional theory method and the experimental values is larger than 12%. Thus, it's essential to finding a more accurate method. In the present work, hybrid functionals and vdW correction methods are applied to investigate six reported organic electrode materials for Li-ion batteries. The results show that the hybrid functional combined with the D2 dispersion corrected method, i.e., HSE06-D2 (Heyd, Scuseria, and Ernzerhof, dispersion-corrected, is able to predict the potential of the organic material precisely with an average error of approximately 5%. This method occupies much hardware resources and being very time consuming, but it could be applied as the final ultrafine step in the high-throughput screening program.

  13. A theoretical study of optimal methods for the determination of the activities of the descendants of radon

    International Nuclear Information System (INIS)

    Hartley, B.M.

    1990-01-01

    The accurate determiantion of the potential alpha energy of the descendants of radon relies on the determination of the individual number of atoms of those isotopes present. These are usually found by counting the particles emitted during radioactive decay of the individual atoms. By fitting the experimental count curve to the theoretical curve by a least squares method and using the number of atoms of the individual descendants present as the variable parameters, an optimal result can be obtained. Examination of the algorithm for generating the best fit indicates that it could be done in real time using microprocessors and gives the possibility of continuous evaluation of the number of atoms present and of the total potential alpha energy during counting. A comparison of ten different counting methods has been done theoretically using computer simulations of the count. For short counting times the method which can distinguish between each of the alpha particles and the beta particles is the most precise method available. It is shown that other methods of counting give comparable results when counting time is extended to over 2000 seconds. 4 refs., 1 tab., 2 figs

  14. Queueing-theoretic solution methods for models of parallel and distributed systems

    NARCIS (Netherlands)

    O.J. Boxma (Onno); G.M. Koole (Ger); Z. Liu

    1994-01-01

    textabstractThis paper aims to give an overview of solution methods for the performance analysis of parallel and distributed systems. After a brief review of some important general solution methods, we discuss key models of parallel and distributed systems, and optimization issues, from the

  15. Theoretical Study of Palladium Membrane Reactor Performance During Propane Dehydrogenation Using CFD Method

    Directory of Open Access Journals (Sweden)

    Kamran Ghasemzadeh

    2017-04-01

    Full Text Available This study presents a 2D-axisymmetric computational fluid dynamic (CFD model to investigate the performance Pd membrane reactor (MR during propane dehydrogenation process for hydrogen production. The proposed CFD model provided the local information of temperature and component concentration for the driving force analysis. After investigation of mesh independency of CFD model, the validation of CFD model results was carried out by other modeling data and a good agreement between CFD model results and theoretical data was achieved. Indeed, in the present model, a tubular reactor with length of 150 mm was considered, in which the Pt-Sn-K/Al2O3 as catalyst were filled in reaction zone. Hence, the effects of the important operating parameter (reaction temperature on the performances of membrane reactor (MR were studied in terms of propane conversion and hydrogen yield. The CFD results showed that the suggested MR system during propane dehydrogenation reaction presents higher performance with respect to once obtained in the conventional reactor (CR. In particular, by applying Pd membrane, was found that propane conversion can be increased from 41% to 49%. Moreover, the highest value of propane conversion (X = 91% was reached in case of Pd-Ag MR. It was also established that the feed flow rate of the MR is to be the one of the most important factors defining efficiency of the propane dehydrogenation process.

  16. Illumination of interior spaces by bended hollow light guides: Application of the theoretical light propagation method

    Energy Technology Data Exchange (ETDEWEB)

    Darula, Stanislav; Kocifaj, Miroslav; Kittler, Richard [ICA, Slovak Academy of Sciences, Bratislava (Slovakia); Kundracik, Frantisek [Department of Experimental Physics, FMPI, Comenius University, Bratislava (Slovakia)

    2010-12-15

    To ensure comfort and healthy conditions in interior spaces the thermal, acoustics and daylight factors of the environment have to be considered in the building design. Due to effective energy performance in buildings the new technology and applications also in daylight engineering are sought such as tubular light guides. These allow the transport of natural light into the building core reducing energy consumption. A lot of installations with various geometrical and optical properties can be applied in real buildings. The simplest set of tubular light guide consists of a transparent cupola, direct tube with high reflected inner surface and a ceiling cover or diffuser redistributing light into the interior. Such vertical tubular guide is often used on flat roofs. When the roof construction is inclined a bend in the light guide system has to be installed. In this case the cupola is set on the sloped roof which collects sunlight and skylight from the seen part of the sky hemisphere as well as that reflected from the ground and opposite facades. In comparison with the vertical tube some additional light losses and distortions of the propagated light have to be expected in bended tubular light guides. Recently the theoretical model of light propagation was already published and its applications are presented in this study solving illuminance distributions on the ceiling cover interface and further illuminance distribution on the working plane in the interior. (author)

  17. Does Macaulay Duration Provide The Most Cost-Effective Immunization Method – A Theoretical Approach

    Directory of Open Access Journals (Sweden)

    Zaremba Leszek

    2017-02-01

    Full Text Available In the following, we offer a theoretical approach that attempts to explain (Comments 1-3 why and when the Macaulay duration concept happens to be a good approximation of a bond’s price sensitivity. We are concerned with the basic immunization problem with a single liability to be discharged at a future time q. Our idea is to divide the class K of all shifts a(t of a term structure of interest rates s(t into many classes and then to find a sufficient and necessary condition a given bond portfolio, dependent on a class of shifts, must satisfy to secure immunization at time q against all shifts a(t from that class. For this purpose, we introduce the notions of dedicated duration and dedicated convexity. For each class of shifts, we show how to choose from a bond market under consideration a portfolio with maximal dedicated convexity among all immunizing portfolios. We demonstrate that the portfolio yields the maximal unanticipated rate of return and appears to be uniquely determined as a barbell strategy (portfolio built up with 2 zero-coupon bearing bonds with maximal and respective minimal dedicated durations. Finally, an open problem addressed to researchers performing empirical studies is formulated.

  18. Theoretical study on new bias factor methods to effectively use critical experiments for improvement of prediction accuracy of neutronic characteristics

    International Nuclear Information System (INIS)

    Kugo, Teruhiko; Mori, Takamasa; Takeda, Toshikazu

    2007-01-01

    Extended bias factor methods are proposed with two new concepts, the LC method and the PE method, in order to effectively use critical experiments and to enhance the applicability of the bias factor method for the improvement of the prediction accuracy of neutronic characteristics of a target core. Both methods utilize a number of critical experimental results and produce a semifictitious experimental value with them. The LC and PE methods define the semifictitious experimental values by a linear combination of experimental values and the product of exponentiated experimental values, respectively, and the corresponding semifictitious calculation values by those of calculation values. A bias factor is defined by the ratio of the semifictitious experimental value to the semifictitious calculation value in both methods. We formulate how to determine weights for the LC method and exponents for the PE method in order to minimize the variance of the design prediction value obtained by multiplying the design calculation value by the bias factor. From a theoretical comparison of these new methods with the conventional method which utilizes a single experimental result and the generalized bias factor method which was previously proposed to utilize a number of experimental results, it is concluded that the PE method is the most useful method for improving the prediction accuracy. The main advantages of the PE method are summarized as follows. The prediction accuracy is necessarily improved compared with the design calculation value even when experimental results include large experimental errors. This is a special feature that the other methods do not have. The prediction accuracy is most effectively improved by utilizing all the experimental results. From these facts, it can be said that the PE method effectively utilizes all the experimental results and has a possibility to make a full-scale-mockup experiment unnecessary with the use of existing and future benchmark

  19. Theoretical study of the F2 molecule using the variational cellular method

    International Nuclear Information System (INIS)

    Lima, M.A.P.; Leite, J.R.; Fazzio, A.

    1981-02-01

    Variational Cellular Method calculations for F 2 have been carried out at several internuclear distances. The ground and excited state potential curves are presented. The overall agreement between the VCM results and ab initio calculations is fairly good. (Author) [pt

  20. Theoretical study of fiber Raman amplifiers by broadband pumps through moment method

    International Nuclear Information System (INIS)

    Teimorpour, M. H.; Pourmoghadas, A.; Rahimi, L.; Farman, F.; Bahrampour, A.

    2007-01-01

    The governing equations of Raman optical fiber amplifier with broadband pumps in the steady state are a system of Uncountable Nonlinear Ordinary Differential Equations. In this paper, the Moment Method is used to reduce the uncountable system of Nonlinear Ordinary Differential Equations to a system of finite number of Nonlinear Ordinary Differential Equations. This system of equations is solved numerically. It is shown that the Moment Method is a precise and fast technique for analysis of optical fiber Raman Amplifier with broadband pumps.

  1. Theoretical methods for determination of core parameters in uranium-plutonium lattices

    International Nuclear Information System (INIS)

    Pop-Jordanov, J.; Bosevski, T.; Matausek, M.; Stefanovic, D.; Strugar, P.

    1972-01-01

    The prediction of plutonium production in power reactors depends essentially on how the change of neutron energy spectra in a reactor cell during burn-up is determined. In the epithermal region, where the build-up of plutonium occurs, the slowing down effects are particularly important, whereas, on the other hand, the thermal neutron spectrum is strongly influenced by the low-lying plutonium resonances. For accurate analysis, multi-group numerical methods are required, which, applied to burn-up prediction, are extremely laborious and time consuming even for large computers. This paper contains a comprehensive review of the methods of core parameter determination in the uranium-plutonium lattices developed in Yugoslavia during the last few years. Faced with the problem of using small computers, the authors had to find new approaches combining physical evidence and mathematical elegance. The main feature of these approaches is the tendency to proceed with analytical treatment as far as possible and then to include suitable numerical improvements. With this philosophy, which is generally overlooked when using large computers, fast and reasonably accurate methods were developed. The methods include original means for adequate treatment of neutron spectra and cell geometry effects,especially suitable for U-Pu systems. In particular, procedures based on the energy dependent boundary conditions, the discrete energy representation, the improved collision probabilities and the Green function slowing down solutions were developed and applied. Results obtained with these methods are presented and compared with those of the experiments and those obtained with other methods. (author)

  2. Tension between the theoretical thinking and the empirical method: is it an inevitable fate for psychology?

    Science.gov (United States)

    Omi, Yasuhiro

    2012-03-01

    This paper will start from focusing on the limitations of quantitative approach in psychology from three viewpoints. First--data collection, especially experiments and questionnaires as two major methods of quantitative approach. The second limitation is data aggregation, followed by the third--statistical significance testing. After that, recent spread of qualitative approach as another option for one of psychological methods will be introduced and a controversy surrounding epistemology of qualitative approach will be also introduced. Finally, it will be discussed that accumulation of faithful descriptions on reality, especially from qualitative approach, would be needed for producing creative research.

  3. Graph-Theoretic Statistical Methods for Detecting and Localizing Distributional Change in Multivariate Data

    Science.gov (United States)

    2015-06-01

    of each method. Number of IQR deviations above the third quartile M ed ia n A la rm T im e 0 1.5 2 3 5 0 50 0 10 00 15 00 20 00 Half Factor...Kotsiantis, S. B. (2007). Supervised Machine Learning: A Review of Classification Techniques. Informatica , 31, 249–268. 122 Koul, H. L., & Qian, L

  4. The Army Method Revisited: The Historical and Theoretical Backgrounds of the Military Intensive Language Programs.

    Science.gov (United States)

    Bayuk, Milla; Bayuk, Barry S.

    A program currently in use by the military that gives instruction in the so-called "sensitive" languages is based on the "Army Method" which was initiated in military language programs during World War II. Attention to the sensitive language program initiated a review of the programs, especially those conducted by the military intelligence schools…

  5. Accounting reflection of expenses on goods quality: theoretical and methodic support

    OpenAIRE

    Пархоменко, В. М.

    2011-01-01

    Peculiarities of accounting reflection and legal support of expenses on goods quality have been researched. Ways of their improvement on the basis of developed methods of accounting for expenses on quality have been suggested as well as the stages of their performance have been grounded 

  6. Systems identification: a theoretical method applied to tracer kinetics in aquatic microcosms

    International Nuclear Information System (INIS)

    Halfon, E.; Georgia Univ., Athens

    1974-01-01

    A mathematical model of radionuclide kinetics in a laboratory microcosm was built and the transfer parameters estimated by multiple regression and system identification techniques. Insight into the functioning of the system was obtained from analysis of the model. Methods employed have allowed movements of radioisotopes not directly observable in the experimental systems to be distinguished. Results are generalized to whole ecosystems

  7. Theoretical comparison of advanced methods for calculating nitrous oxide fluxes using non-steady state chambers

    Science.gov (United States)

    Several flux-calculation (FC) schemes are available for determining soil-to-atmosphere emissions of nitrous oxide (N2O) and other trace gases using data from non-steady-state flux chambers. Recently developed methods claim to provide more accuracy in estimating the true pre-deployment flux (f0) comp...

  8. Development of Theoretical and Computational Methods for Single-Source Bathymetric Data

    Science.gov (United States)

    2016-09-15

    sources ofinformation must be taken into account in order to establish the safe op- erating envelope for the vessel. Sources include electronic charts at...uncer- tainty in the reconstruction engendered by the data. Applied spatially, this method provides, for each source, a ternary spatial classi- fication

  9. A new theoretical method for calculating temperature and water vapor saturation ratio in an expansion cloud chamber

    Science.gov (United States)

    Moteki, Nobuhiro; Kondo, Yutaka

    2013-06-01

    The expansion cloud chamber is a widely used apparatus for investigating the dynamics of condensational growth of aerosols and clouds. Theoretical calculations of temperature T and water vapor saturation ratio S are necessary for quantitative interpretations of experimental data obtained from the expansion cloud chamber. In this paper, we revisit the thermodynamics associated with the underlying assumptions for calculating the time-dependent temperature T(t) and saturation ratio S(t) in an expansion chamber as a function of experimentally observable parameters. We introduce an intuitive and robust method, the virtual path (VP) method, by which changes in the thermodynamic state of a moist air parcel containing cloud droplets are schematically represented on a thermodynamic diagram. The validity of the VP method is confirmed by comparisons with the differential equation (DE) method, which is a numerical simulation of real physical processes according to the time evolution equations involving T and S. In contrast to the conventional DE method, the governing equations of the VP method do not involve time t, an irrelevant parameter in the framework of classical thermodynamics. The VP method is advantageous compared to the DE method because the former is applicable to the raw experimental data acquired with a finite time resolution, allowing a robust calculation of the T and S values and the errors that are only caused by the measurement errors of the input data.

  10. INVESTIGATIONS OF THE FLOW INTO A STORAGE TANK BY MEANS OF ADVANCED EXPERIMENTAL AND THEORETICAL METHODS

    DEFF Research Database (Denmark)

    Jordan, Ulrike; Shah, Louise Jivan; Furbo, Simon

    2003-01-01

    a method called Particle Image Velocimetry (PIV) was applied. Particles with a size of 1 to 10 mm were seeded in the water and then illuminated by a laser within a narrow plane. In order to measure the three velocity components of the flow within the plane, the particle displacements between laser pulses......Advanced experimental methods were applied to study flow structures of a water jet entering a tank from the bottom. A squared experimental glass tank with a volume of about 140 l was used. Above the inlet pipe a flat plate was installed, as shown in the figure. The goal of the investigations...... that the luminescence intensity depends on the water temperature, the temperature fields in the tank can be visualized and also be recorded with a camera. The measurements were compared with calculations of the flow and temperature fields carried out with the Computational Fluid Dynamics (CFD) tool Fluent. In future...

  11. Decision-theoretic refinement planning: a new method for clinical decision analysis.

    OpenAIRE

    Doan, A.; Haddawy, P.; Kahn, C. E.

    1995-01-01

    Clinical decision analysis seeks to identify the optimal management strategy by modelling the uncertainty and risks entailed in the diagnosis, natural history, and treatment of a particular problem or disorder. Decision trees are the most frequently used model in clinical decision analysis, but can be tedious to construct, cumbersome to use, and computationally prohibitive, especially with large, complex decision problems. We present a new method for clinical decision analysis that combines t...

  12. What is new in the study of differential equations by group theoretical methods

    International Nuclear Information System (INIS)

    Winternitz, P.

    1986-11-01

    Several recent developments have made the application of group theory to the solving of differential equations more powerful than it used to be. The ones discussed here are: 1. The advent of symbol manipulating computer languages that greatly simplify the construction of the symmetry group of an equation 2. Methods of finding all subgroups of a given Lie symmetry group 3. The theory of infinite dimensional Lie algebras 4. The combination of group theory and singularity analysis

  13. Theoretical studies on CH+ ion molecule using configuration interaction method and its spectroscopic properties

    International Nuclear Information System (INIS)

    Machado, F.B.C.

    1985-01-01

    The use of the configuration (CI) method for the calculation of very accurate potential energy curves and dipole moment functions, and then their use in the comprehension of spectroscopic properties of diatomic molecules is presented. The spectroscopic properties of CH + and CD + such as: vibrational levels, spectroscopic constants, averaged dipole moments for all vibrational levels, radiative transition probabilities for emission and absorption, and radiative lifetimes are verificated. (M.J.C.) [pt

  14. THE THEORETICAL AND METHODICAL APPROACH TO AN ASSESSMENT OF A LEVEL OF DEVELOPMENT OF THE ENTERPRISE IN CONDITIONS OF GLOBALIZATION

    Directory of Open Access Journals (Sweden)

    Tatiana Shved

    2016-11-01

    Full Text Available The subject of this article is theoretical, methodical and practical aspects of enterprise development in conditions of globalization. The purpose of this research is to provide theoretical and methodical approach to an assessment of a level of development of the enterprise, which is based on the relationship between the factors and influence, illustrating the effect of the internal and external environment of enterprises functioning, and indicates the level of development of the enterprise. Methodology. Theoretical basis of the study was the examination and rethinking of the main achievements of world and domestic science on the development of enterprises. To achieve the objectives of the research following methods were used: systemic and structural analysis for the formation of methodical approaches to the selection of the factors, influencing the development of enterprises; abstract and logical – for the formulation of conclusions and proposals; the method of valuation and expert assessments to the implementation of the proposed theoretical and methodical approach to an assessment of a level of development of the enterprise in conditions of globalization. Results of the research is the proposed theoretical and methodical to an assessment of a level of development of the enterprise in conditions of globalization, which is associated with the idea of development of the enterprise as a system with inputs–factors, influencing on the development , and outputs – indicators of the level of enterprise development within these factors. So, the chosen factors – resources, financial-economic activity, innovation and investment activities, competition, government influence, and foreign trade. Indicators that express these factors, are capital productivity, labour productivity, material efficiency within the first factor; the profitability of the activity, the coefficient of current assets, the total liquidity coefficient, financial stability

  15. First on-line applications of a multi-reflection time-of-flight mass separator at ISOLTRAP and the mass measurement of 82Zn

    International Nuclear Information System (INIS)

    Wolf, Robert

    2013-01-01

    This thesis describes the implementation and first on-line application of a multi-reflection time-of-flight (MR-ToF) mass analyzer for high-resolution mass separation at the ISOLTRAP mass spectrometer at ISOLDE/CERN. On the one hand, the major objective was to improve ISOLTRAPs mass-measurement capabilities with respect to the ratio of delivered contaminating ions to ions of interest. On the other hand, the time necessary to purify wanted from unwanted species should be reduced as much as possible to enable access to even more exotic nuclei. The device has been set up, optimized and tested at the University of Greifswald before its move to ISOLTRAP. The achieved performance comprises mass resolving powers of up to 2 x 10 5 reached at observation times of 30 ms and a contamination suppression of about four orders of magnitude by use of a Bradbury-Nielsen gate. With the characteristics, it outperforms clearly the so far state-of-the-art purification method of a gas-filled Penning trap. To improve the utilization of the MR-ToF mass analyzer, the in-trap lift method has been developed. It simplifies the application and optimization of the device, which is a crucial time factor in an on-line experiment. The device was the first of its kind successfully applied to radioactive ion beams for a mass analysis, for a mass separation (in combination with the Bradbury-Nielsen gate) as a preparatory step for a subsequent Penning-trap mass measurement and as a high-precision mass spectrometer of its own. The later was recently used for the first mass measurement of the neutron-rich calcium isotopes 53 Ca and 54 Ca. The so-far achieved mass-resolving power of 2 x 10 5 belongs to the highest reported for time-of-flight mass analyzers at all. The first successful application of the MR-ToF system as the only mass separator at ISOLTRAP resulted in the mass measurement of 82 Zn. The new mass value has been compared to mass extrapolations of the most recent Hartree-Fock-Bogolyubov (HFB

  16. Oxygen termination of homoepitaxial diamond surface by ozone and chemical methods: An experimental and theoretical perspective

    Science.gov (United States)

    Navas, Javier; Araujo, Daniel; Piñero, José Carlos; Sánchez-Coronilla, Antonio; Blanco, Eduardo; Villar, Pilar; Alcántara, Rodrigo; Montserrat, Josep; Florentin, Matthieu; Eon, David; Pernot, Julien

    2018-03-01

    Phenomena related with the diamond surface of both power electronic and biosensor devices govern their global behaviour. In particular H- or O-terminations lead to wide variations in their characteristics. To study the origins of such aspects in greater depth, different methods to achieve oxygen terminated diamond were investigated following a multi-technique approach. DFT calculations were then performed to understand the different configurations between the C and O atoms. Three methods for O-terminating the diamond surface were performed: two physical methods with ozone at different pressures, and an acid chemical treatment. X-ray photoelectron spectroscopy, spectroscopic ellipsometry, HRTEM, and EELS were used to characterize the oxygenated surface. Periodic-DFT calculations were undertaken to understand the effect of the different ways in which the oxygen atoms are bonded to carbon atoms on the diamond surface. XPS results showed the presence of hydroxyl or ether groups, composed of simple Csbnd O bonds, and the acid treatment resulted in the highest amount of O on the diamond surface. In turn, ellipsometry showed that the different treatments led to the surface having different optical properties, such as a greater refraction index and extinction coefficient in the case of the sample subjected to acid treatment. TEM analysis showed that applying temperature treatment improved the distribution of the oxygen atoms at the interface and that this generates a thinner amount of oxygen at each position and higher interfacial coverage. Finally, DFT calculations showed both an increase in the number of preferential electron transport pathways when π bonds and ether groups appear in the system, and also the presence of states in the middle of the band gap when there are π bonds, Cdbnd C or Cdbnd O.

  17. Identification of Dynamic Flow Stress Curves Using the Virtual Fields Methods: Theoretical Feasibility Analysis

    Science.gov (United States)

    Leem, Dohyun; Kim, Jin-Hwan; Barlat, Frédéric; Song, Jung Han; Lee, Myoung-Gyu

    2018-03-01

    An inverse approach based on the virtual fields method (VFM) is presented to identify the material hardening parameters under dynamic deformation. This dynamic-VFM (D-VFM) method does not require load information for the parameter identification. Instead, it utilizes acceleration fields in a specimen's gage region. To investigate the feasibility of the proposed inverse approach for dynamic deformation, the virtual experiments using dynamic finite element simulations were conducted. The simulation could provide all the necessary data for the identification such as displacement, strain, and acceleration fields. The accuracy of the identification results was evaluated by changing several parameters such as specimen geometry, velocity, and traction boundary conditions. The analysis clearly shows that the D-VFM which utilizes acceleration fields can be a good alternative to the conventional identification procedure that uses load information. Also, it was found that proper deformation conditions are required for generating sufficient acceleration fields during dynamic deformation to enhance the identification accuracy with the D-VFM.

  18. Theoretical methods for creep and stress relaxation studies of SSC coil

    International Nuclear Information System (INIS)

    McAdams, J.; Markley, F.

    1992-04-01

    Extrapolation of laboratory measurements of SSC coil properties to the actual construction of SSC magnets requires mathematical models of the experimental data. A variety of models were used to approximate the data collected from creep and stress relaxation experiments performed on Kapton film and SSC coil samples. The coefficients for these mathematical models were found by performing a least-squares fit via the program MINUIT. Once the semiempirical expressions for the creep data were found, they were converted to expressions for stress relaxation using an approximate I pn of the Laplace integral relating the two processes. The data sets from creep experiments were also converted directly to stress relaxation data by numeric integration. Both of these methods allow comparison of data from two different methods of measuring viscoelastic properties. Three companion papers presented at this conference will present: Stress relaxation in SSC 50mm dipole coil. Measurement of the elastic modulus of Kapton perpendicular to the plane of the film at room and cryogenic temperatures. Temperature dependence of the viscoelastic properties of SSC coil insulation (Kapton)

  19. The theoretical study of passive and active optical devices via planewave based transfer (scattering) matrix method and other approaches

    Energy Technology Data Exchange (ETDEWEB)

    Zhuo, Ye [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    In this thesis, we theoretically study the electromagnetic wave propagation in several passive and active optical components and devices including 2-D photonic crystals, straight and curved waveguides, organic light emitting diodes (OLEDs), and etc. Several optical designs are also presented like organic photovoltaic (OPV) cells and solar concentrators. The first part of the thesis focuses on theoretical investigation. First, the plane-wave-based transfer (scattering) matrix method (TMM) is briefly described with a short review of photonic crystals and other numerical methods to study them (Chapter 1 and 2). Next TMM, the numerical method itself is investigated in details and developed in advance to deal with more complex optical systems. In chapter 3, TMM is extended in curvilinear coordinates to study curved nanoribbon waveguides. The problem of a curved structure is transformed into an equivalent one of a straight structure with spatially dependent tensors of dielectric constant and magnetic permeability. In chapter 4, a new set of localized basis orbitals are introduced to locally represent electromagnetic field in photonic crystals as alternative to planewave basis. The second part of the thesis focuses on the design of optical devices. First, two examples of TMM applications are given. The first example is the design of metal grating structures as replacements of ITO to enhance the optical absorption in OPV cells (chapter 6). The second one is the design of the same structure as above to enhance the light extraction of OLEDs (chapter 7). Next, two design examples by ray tracing method are given, including applying a microlens array to enhance the light extraction of OLEDs (chapter 5) and an all-angle wide-wavelength design of solar concentrator (chapter 8). In summary, this dissertation has extended TMM which makes it capable of treating complex optical systems. Several optical designs by TMM and ray tracing method are also given as a full complement of this

  20. Development and implementation of theoretical methods for the description of electronically core-excited states

    Energy Technology Data Exchange (ETDEWEB)

    Wenzel, Jan

    2016-03-23

    My PhD project mainly consists of two important parts. One was to enhance and develop variants of the core-valence-separation-algebraic-diagrammatic-construction (CVS-ADC) method and implement all approaches efficiently in the adcman program, which is part of the Q-chem program package. Secondly, I benchmarked these implementations and simulated X-ray absorption spectra of small- and medium-sized molecules from different fields. In this thesis, I present my implementations, as well as the results and applications obtained with the CVS-ADC methods and give a general introduction into quantum chemical methods. At first, I implemented the CVS-ADC approach up to the extended second in an efficient way. The program is able to deal with systems up to 500 basis functions in an adequate computational time, which allows for accurate calculations of medium-sized closed-shell molecules, e.g. acenaphthenequinone (ANQ). Afterwards, the CVS-ADC implementation was extended for the first time to deal with open-shell systems, i.e. ions and radicals, which implies a treatment of unrestricted wave functions and spin-orbitals. The resulting method is denoted as CVS-UADC(2)-x. For the first time, I applied the CVS approximation to the the third order ADC scheme, derived the working equations, and implemented the CVS-ADC(3) method in adcman. As the last step, I applied the CVS formalism for the first time to the ISR approach to enable calculations of core-excited state properties and densities. To benchmark all restricted and unrestricted CVS-ADC/CVS-ISR methods up to third order in perturbation theory, I chose a set of small molecules, e.g. carbon monoxide (CO). The calculated values of core-excitation energies, transition moments and static dipole moments are compared with experimental data or other approaches, thereby estimating complete basis set (CBS) limits. Furthermore, a comprehensive study of different basis sets is performed. In combination with the CBS limit of the aug

  1. Field-theoretic Methods in Strongly-Coupled Models of General Gauge Mediation

    CERN Document Server

    Fortin, Jean-Francois

    2013-01-01

    An often-exploited feature of the operator product expansion (OPE) is that it incorporates a splitting of ultraviolet and infrared physics. In this paper we use this feature of the OPE to perform simple, approximate computations of soft masses in gauge-mediated supersymmetry breaking. The approximation amounts to truncating the OPEs for hidden-sector current-current operator products. Our method yields visible-sector superpartner spectra in terms of vacuum expectation values of a few hidden-sector IR elementary fields. We manage to obtain reasonable approximations to soft masses, even when the hidden sector is strongly coupled. We demonstrate our techniques in several examples, including a new framework where supersymmetry-breaking arises both from a hidden sector and dynamically.

  2. Theoretical treatment of photodissociation of water by time-dependent quantum mechanical methods

    International Nuclear Information System (INIS)

    Weide, K.

    1993-01-01

    An algorithm for wavepacket propagation, based on Kosloff's method of expansion of the time evolution operator in terms of Chebychev polynomials, and some details of its implementation are described. With the programs developed, quantum-mechanical calculations for up to three independent molecular coordinates are possible and feasible and therefore photodissociation of non-rotating triatomic molecules can be treated exactly. The angular degree of freedom here is handled by expansion in terms of free diatomic rotor states. The time-dependent wave packet picture is compared with the more traditional view of stationary wave functions, and both are used to interpret computational results where appropriate. Two-dimensional calculations have been performed to explain several experimental observations about water photodissociation. All calculations are based on ab initio potential energy surfaces, and it is explained in each case why it is reasonable to neglect the third degree of freedom. Many experimental results are reproduced quantitatively. (orig.) [de

  3. Ground and excited state dipole moments of some flavones using solvatochromic methods: An experimental and theoretical study

    Science.gov (United States)

    Kumar, Sanjay; Kapoor, Vinita; Bansal, Ritu; Tandon, H. C.

    2018-03-01

    The absorption and fluorescence characteristics of biologically active flavone derivatives 6-Hydroxy-7,3‧,4‧,5‧-tetramethoxyflavone (6HTMF) and 7-Hydroxy-6,3‧,4‧,5‧-tetramethoxyflavone (7HTMF) are studied at room temperature (298 K) in solvents of different polarities. Excited state dipole moments of these compounds have been determined using the solvatochromic shift method based on the microscopic solvent polarity parameter ETN . Dipole moments in excited state were found to be higher than those in the ground state in both the molecules. A reasonable agreement has been observed between experimental and theoretically calculated dipole moments (using AM1 method). Slightly large value of ground and excited state dipole moments of 7HTMF than 6HTMF are in conformity with predicted electrostatic potential maps. Our results would be helpful in understanding use of these compounds as tunable dye lasers, optical brighteners and biosensors.

  4. Configraphics: Graph Theoretical Methods for Design and Analysis of Spatial Configurations

    Directory of Open Access Journals (Sweden)

    Pirouz Nourian

    2016-09-01

    Full Text Available This dissertation reports a PhD research on mathematical-computational models, methods, and techniques for analysis, synthesis, and evaluation of spatial configurations in architecture and urban design. Spatial configuration is a technical term that refers to the particular way in which a set of spaces are connected to one another as a network. Spatial configuration affects safety, security, and efficiency of functioning of complex buildings by facilitating certain patterns of movement and/or impeding other patterns. In cities and suburban built environments, spatial configuration affects accessibilities and influences travel behavioural patterns, e.g. choosing walking and cycling for short trips instead of travelling by cars. As such, spatial configuration effectively influences the social, economic, and environmental functioning of cities and complex buildings, by conducting human movement patterns. In this research, graph theory is used to mathematically model spatial configurations in order to provide intuitive ways of studying and designing spatial arrangements for architects and urban designers. The methods and tools presented in this dissertation are applicable in: • arranging spatial layouts based on configuration graphs, e.g. by using bubble diagrams to ensure certain spatial requirements and qualities in complex buildings; and • analysing the potential effects of decisions on the likely spatial performance of buildings and on mobility patterns in built environments for systematic comparison of designs or plans, e.g. as to their aptitude for pedestrians and cyclists. The dissertation reports two parallel tracks of work on architectural and urban configurations. The core concept of the architectural configuration track is the ‘bubble diagram’ and the core concept of the urban configuration track is the ‘easiest paths’ for walking and cycling. Walking and cycling have been chosen as the foci of this theme as they involve

  5. Synergic application of spectroscopic and theoretical methods to the chlorogenic acid structure elucidation

    Science.gov (United States)

    Marković, Svetlana; Tošović, Jelena; Dimitrić Marković, Jasmina M.

    2016-07-01

    Although chlorogenic acid (5-O-caffeoylquinic acid, 5CQA) is a dietary polyphenol known for its pharmacological and nutritional properties, its structural features have not been completely elucidated. This is the first study whose aim is to contribute to clarification of the 5CQA structure by comparing the experimental and simulated IR, Raman, 1H NMR, 13C NMR, and UV spectra. For this purpose, a comprehensive conformational analysis of 5CQA was performed to reveal its most stable conformations in the gas-state and solution (DMSO and methanol). The lowest-energy conformers were used to predict the spectra at two levels of theory: B3LYP-D3/and M06-2X/6-311+G(d,p) in combination with the CPCM solvation model. Both methods provide very good agreement between all experimental and simulated spectra, thus indicating correct arrangement of the atoms in the 5CQA molecule. The quinic moiety is characterized with directed hydrogen bonds, where the carboxylic hydrogen is not oriented towards the carbonyl oxygen of the carboxylic group, but towards the oxygen of the proximate hydroxyl group. In the gas-state the lowest-energy conformers are characterized with the O4sbnd H4 ⋯ O9‧ hydrogen bond, whereas in the solvated state the structures with the O4sbnd H4 ⋯ O10‧ hydrogen bond prevail. Knowing the fine structural details, i.e. the proper conformation of 5CQA, provides a solid base for all further investigations related to this compound.

  6. A theoretical method to compute sequence dependent configurational properties in charged polymers and proteins

    Energy Technology Data Exchange (ETDEWEB)

    Sawle, Lucas; Ghosh, Kingshuk, E-mail: kghosh@du.edu [Department of Physics and Astronomy, University of Denver, Denver, Colorado 80208 (United States)

    2015-08-28

    A general formalism to compute configurational properties of proteins and other heteropolymers with an arbitrary sequence of charges and non-uniform excluded volume interaction is presented. A variational approach is utilized to predict average distance between any two monomers in the chain. The presented analytical model, for the first time, explicitly incorporates the role of sequence charge distribution to determine relative sizes between two sequences that vary not only in total charge composition but also in charge decoration (even when charge composition is fixed). Furthermore, the formalism is general enough to allow variation in excluded volume interactions between two monomers. Model predictions are benchmarked against the all-atom Monte Carlo studies of Das and Pappu [Proc. Natl. Acad. Sci. U. S. A. 110, 13392 (2013)] for 30 different synthetic sequences of polyampholytes. These sequences possess an equal number of glutamic acid (E) and lysine (K) residues but differ in the patterning within the sequence. Without any fit parameter, the model captures the strong sequence dependence of the simulated values of the radius of gyration with a correlation coefficient of R{sup 2} = 0.9. The model is then applied to real proteins to compare the unfolded state dimensions of 540 orthologous pairs of thermophilic and mesophilic proteins. The excluded volume parameters are assumed similar under denatured conditions, and only electrostatic effects encoded in the sequence are accounted for. With these assumptions, thermophilic proteins are found—with high statistical significance—to have more compact disordered ensemble compared to their mesophilic counterparts. The method presented here, due to its analytical nature, is capable of making such high throughput analysis of multiple proteins and will have broad applications in proteomic studies as well as in other heteropolymeric systems.

  7. Information theoretical methods to deconvolute genetic regulatory networks applied to thyroid neoplasms

    Science.gov (United States)

    Hernández-Lemus, Enrique; Velázquez-Fernández, David; Estrada-Gil, Jesús K.; Silva-Zolezzi, Irma; Herrera-Hernández, Miguel F.; Jiménez-Sánchez, Gerardo

    2009-12-01

    Most common pathologies in humans are not caused by the mutation of a single gene, rather they are complex diseases that arise due to the dynamic interaction of many genes and environmental factors. This plethora of interacting genes generates a complexity landscape that masks the real effects associated with the disease. To construct dynamic maps of gene interactions (also called genetic regulatory networks) we need to understand the interplay between thousands of genes. Several issues arise in the analysis of experimental data related to gene function: on the one hand, the nature of measurement processes generates highly noisy signals; on the other hand, there are far more variables involved (number of genes and interactions among them) than experimental samples. Another source of complexity is the highly nonlinear character of the underlying biochemical dynamics. To overcome some of these limitations, we generated an optimized method based on the implementation of a Maximum Entropy Formalism (MaxEnt) to deconvolute a genetic regulatory network based on the most probable meta-distribution of gene-gene interactions. We tested the methodology using experimental data for Papillary Thyroid Cancer (PTC) and Thyroid Goiter tissue samples. The optimal MaxEnt regulatory network was obtained from a pool of 25,593,993 different probability distributions. The group of observed interactions was validated by several (mostly in silico) means and sources. For the associated Papillary Thyroid Cancer Gene Regulatory Network (PTC-GRN) the majority of the nodes (genes) have very few links (interactions) whereas a small number of nodes are highly connected. PTC-GRN is also characterized by high clustering coefficients and network heterogeneity. These properties have been recognized as characteristic of topological robustness, and they have been largely described in relation to biological networks. A number of biological validity outcomes are discussed with regard to both the

  8. Theoretical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

    Work in theoretical chemistry was organized under the following topics: scattering theory and dynamics (elastic scattering of the rare gas hydrides, inelastic scattering in Li + H 2 , statistical theory for bimolecular collisions, model study of dissociative scattering, comparative study of elastic scattering computational methods), studies of atmospheric diatomic and triatomic species, structure and spectra of diatomic molecules, the evaluation of van der Waals forces, potential energy surfaces and structure and dynamics, calculation of molecular polarizabilities, and development of theoretical techniques and computing systems. Spectroscopic parameters are tabulated for NO 2 , N 2 O, H 2 O + , VH, and NH. Self-consistent-field wave functions were computed for He 2 in two-center and three-center bases. Rare gas hydride intermolecular potentials are shown. (9 figures, 14 tables) (U.S.)

  9. Experimental and theoretical analysis of the rate of solvent equilibration in the hanging drop method of protein crystal growth

    Science.gov (United States)

    Fowlis, William W.; Delucas, Lawrence J.; Twigg, Pamela J.; Howard, Sandra B.; Meehan, Edward J.

    1988-01-01

    The principles of the hanging-drop method of crystal growth are discussed, and the rate of water evaporation in a water droplet (containing protein, buffer, and a precipitating agent) suspended above a well containing a double concentration of precipitating agent is investigated theoretically. It is shown that, on earth, the rate of evaporation may be determined from diffusion theory and the colligative properties of solutions. The parameters affecting the rate of evaporation include the temperature, the vapor pressure of water, the ionization constant of the salt, the volume of the drop, the contact angle between the droplet and the coverslip, the number of moles of salt in the droplet, the number of moles of water and salt in the well, the molar volumes of water and salt, the distance from the droplet to the well, and the coefficient of diffusion of water vapor through air. To test the theoretical equations, hanging-drop experiments were conducted using various reagent concentrations in 25-microliter droplets and measuring the evaporation times at 4 C and 25 C. The results showed good agreement with the theory.

  10. Synthesis of Near-fault Ground Motion Using a Hybrid Method of Stochastic and Theoretical Green’s Functions

    Directory of Open Access Journals (Sweden)

    Wu Shuanglan

    2016-10-01

    Full Text Available The effect of near-fault ground displacement is a significant factor when structures straddle a fault, because the fault produces both static step-like deformations and dynamic pulse-like ground motions. It has been observed that the static displacements measured up to 10 m and strong ground motion velocity pulses exceed 100 cm/s. As there is no concrete method for the seismic design of near-fault structures based on earthquake-induced fault displacement, the numerical simulation of near-fault ground motions is of great significance. In this paper, we describe a hybrid method combining stochastic and theoretical Green’s functions for synthesizing near-fault ground motions. Our approach considers the complete waveforms (far-, intermediate-, and near-field terms of both the dynamic and static terms. To demonstrate the hybrid method, two simple examples of strike-slip and dip-slip fault models are simulated. The results exhibited dynamic displacement with the fling-step of near-fault movement. Furthermore, the 1999 Chi-Chi earthquake in Taiwan is also simulated, and the results showed good agreement with the observed recordings. Thus, the proposed method is a useful tool for evaluating near-fault ground motions for designing bridges and other structures.

  11. Theoretical investigation of force field and vibrational spectrum of BF3 molecule by MO LCAO SCF method

    International Nuclear Information System (INIS)

    Ozerova, V.M.; Solomonik, V.G.; Krasnov, K.S.

    1982-01-01

    Non-empirical calculations of equilibrium internuclear distances, force constants, frequencies of normal vibrations, isotope shifts and vibration intensities in IR spectrum of BF 3 molecule have been made by MO LCAO SCF method using three bases of grouped gauss functions: DZ (9s5p/4s2p), TZ(10s6p/5s3p) and TZ+P (10s6p1d/5s3p1d). All the three bases lead to the results which are in good agreement with the experimental data. For instance, theoretical values of vibration frequencies differ from the experimental ones by average 3.2; 2.4 and 7.0% in the bases DZ, TZ and TZ+P respectively

  12. PREFACE: 2nd International Workshop on Theoretical and Computational Physics (IWTCP-2): Modern Methods and Latest Results in Particle Physics, Nuclear Physics and Astrophysics and the 39th National Conference on Theoretical Physics (NCTP-39)

    Science.gov (United States)

    Hoang, Trinh Xuan; Ky, Nguyen Anh; Lan, Nguyen Tri; Viet, Nguyen Ai

    2015-06-01

    This volume contains selected papers presented at the 2nd International Workshop on Theoretical and Computational Physics (IWTCP-2): Modern Methods and Latest Results in Particle Physics, Nuclear Physics and Astrophysics and the 39th National Conference on Theoretical Physics (NCTP-39). Both the workshop and the conference were held from 28th - 31st July 2014 in Dakruco Hotel, Buon Ma Thuot, Dak Lak, Vietnam. The NCTP-39 and the IWTCP-2 were organized under the support of the Vietnamese Theoretical Physics Society, with a motivation to foster scientific exchanges between the theoretical and computational physicists in Vietnam and worldwide, as well as to promote high-standard level of research and education activities for young physicists in the country. The IWTCP-2 was also an External Activity of the Asia Pacific Center for Theoretical Physics (APCTP). About 100 participants coming from nine countries participated in the workshop and the conference. At the IWTCP-2 workshop, we had 16 invited talks presented by international experts, together with eight oral and ten poster contributions. At the NCTP-39, three invited talks, 15 oral contributions and 39 posters were presented. We would like to thank all invited speakers, participants and sponsors for making the workshop and the conference successful. Trinh Xuan Hoang, Nguyen Anh Ky, Nguyen Tri Lan and Nguyen Ai Viet

  13. A direct vulnerable atherosclerotic plaque elasticity reconstruction method based on an original material-finite element formulation: theoretical framework

    Science.gov (United States)

    Bouvier, Adeline; Deleaval, Flavien; Doyley, Marvin M.; Yazdani, Saami K.; Finet, Gérard; Le Floc'h, Simon; Cloutier, Guy; Pettigrew, Roderic I.; Ohayon, Jacques

    2013-12-01

    The peak cap stress (PCS) amplitude is recognized as a biomechanical predictor of vulnerable plaque (VP) rupture. However, quantifying PCS in vivo remains a challenge since the stress depends on the plaque mechanical properties. In response, an iterative material finite element (FE) elasticity reconstruction method using strain measurements has been implemented for the solution of these inverse problems. Although this approach could resolve the mechanical characterization of VPs, it suffers from major limitations since (i) it is not adapted to characterize VPs exhibiting high material discontinuities between inclusions, and (ii) does not permit real time elasticity reconstruction for clinical use. The present theoretical study was therefore designed to develop a direct material-FE algorithm for elasticity reconstruction problems which accounts for material heterogeneities. We originally modified and adapted the extended FE method (Xfem), used mainly in crack analysis, to model material heterogeneities. This new algorithm was successfully applied to six coronary lesions of patients imaged in vivo with intravascular ultrasound. The results demonstrated that the mean relative absolute errors of the reconstructed Young's moduli obtained for the arterial wall, fibrosis, necrotic core, and calcified regions of the VPs decreased from 95.3±15.56%, 98.85±72.42%, 103.29±111.86% and 95.3±10.49%, respectively, to values smaller than 2.6 × 10-8±5.7 × 10-8% (i.e. close to the exact solutions) when including modified-Xfem method into our direct elasticity reconstruction method.

  14. Photocatalytical Properties and Theoretical Analysis of N, Cd-Codoped TiO2 Synthesized by Thermal Decomposition Method

    Directory of Open Access Journals (Sweden)

    Hongtao Gao

    2012-01-01

    Full Text Available N, Cd-codoped TiO2 have been synthesized by thermal decomposition method. The products were characterized by X-ray diffraction (XRD, scanning electron microscope (SEM, UV-visible diffuse reflectance spectra (DRS, X-ray photoelectron spectroscopy (XPS, and Brunauer-Emmett-Teller (BET specific surface area analysis, respectively. The products represented good performance in photocatalytic degradation of methyl orange. The effect of the incorporation of N and Cd on electronic structure and optical properties of TiO2 was studied by first-principle calculations on the basis of density functional theory (DFT. The impurity states, introduced by N 2p or Cd 5d, lied between the valence band and the conduction band. Due to dopants, the band gap of N, Cd-codoped TiO2 became narrow. The electronic transition from the valence band to conduction band became easy, which could account for the observed photocatalytic performance of N, Cd-codoped TiO2. The theoretical analysis might provide a probable reference for the experimentally element-doped TiO2 synthesis.

  15. Probabilistic methods applied to the safety of nuclear power plant: annual report - 1980. Part. 1: theoretical fundaments

    International Nuclear Information System (INIS)

    Oliveira, L.F.S. de; Hesles, J.B.S.; Milidiu, R.L.; Maciel, C.C.; Gibelli, S.M.O.; Oliveira, L.C.; Fleming, P.V.; Rivera, R.R.J.

    1981-02-01

    The probabilistic Safety Analysis Group from COPPE was founded in 1980. This first part of the report shows the theoretical fundaments used for reliability analysis of some safety systems for Angra-1 [pt

  16. Uranium theoretical speciation for drinking water from private drilled wells in Sweden – Implications for choice of removal method

    International Nuclear Information System (INIS)

    Norrström, Ann Catrine; Löv, Åsa

    2014-01-01

    Highlights: • Neutral charge uranium complexes dominated in the pH range 6.7–7.8. • The Ca concentration influence which calcium-UO 2 carbonate complexes was formed. • In the acidic pH range several different U complexes can comprise a large fraction of total complexes. • It is crucial to include all relevant chemical compounds in the model. • Before removal method is selected, some crucial parameters should be measured. - Abstract: Elevated concentrations of uranium (U) from natural sources have been measured in drinking water from private drilled wells in Sweden and many other countries world-wide. Although U is a radioactive element, radioactivity is not the main concern, but rather chemical toxicity, e.g. kidney damage. Uranium chemistry is complex and U in water has a very high tendency to form complexes with other compounds. Since speciation is crucial for the properties of U, and therefore the removal efficiency, this study determined theoretical U species in drinking water from private drilled wells using the geochemical model Visual MINTEQ. The drinking water samples used in modelling were from two datasets: (1) 76 water samples selected from a previous survey of 722 wells; and (2) samples of drinking water from 21 private wells sampled in May 2013. The results showed that neutrally charged U complexes dominated in the pH range 6.7–7.8, which is common in private drilled wells. This has important implications for removal method, since charge is an important factor for U removal efficiency. In the alkaline pH range, one of two calcium-UO 2 carbonate complexes dominated and calcium (Ca) concentration proved to be a key factor determining the Ca-UO 2 carbonate complex formed: the neutral Ca 2 UO 2 (CO 3 ) 3 0 (aq) or the negative CaUO 2 (CO 3 ) 3 2− . Complexes with organic carbon (C) varied greatly in the acidic range, indicating that it is crucial to measure organic C content in the water since it is critical for the dissolved organic matter

  17. Basic course theoretical physics 5/2. Quantum mechanics - methods and applications. 8. ed.; Grundkurs Theoretische Physik 5/2. Quantenmechanik - Methoden und Anwendungen

    Energy Technology Data Exchange (ETDEWEB)

    Nolting, Wolfgang [Humboldt-Universitaet, Berlin (Germany)

    2015-07-01

    The basic course theoretical physics, quantum mechanics covers the following issues: quantum theory of angular momentum: orbital angular momentum, spin, relativistic theory of the electron, addition of momentum; central potential: fundamentals, coulomb potential, spherical symmetric potential well, the free particle; approximation procedures: variational method, time independent perturbation theory, time dependent (Dirac) perturbation theory, quasi-classical approximation (WKB method); many-particle systems: identical particles, second quantization, applications; scattering theory: fundamentals, partial waves method, integral equations for scattering problems, formal scattering theory.

  18. "It's the Method, Stupid." Interrelations between Methodological and Theoretical Advances: The Example of Comparing Higher Education Systems Internationally

    Science.gov (United States)

    Hoelscher, Michael

    2017-01-01

    This article argues that strong interrelations between methodological and theoretical advances exist. Progress in, especially comparative, methods may have important impacts on theory evaluation. By using the example of the "Varieties of Capitalism" approach and an international comparison of higher education systems, it can be shown…

  19. Theoretical geodesy

    Directory of Open Access Journals (Sweden)

    Borkowski Andrzej

    2015-12-01

    Full Text Available The paper presents a summary of research activities concerning theoretical geodesy performed in Poland in the period of 2011-2014. It contains the results of research on new methods of the parameter estimation, a study on robustness properties of the M-estimation, control network and deformation analysis, and geodetic time series analysis. The main achievements in the geodetic parameter estimation involve a new model of the M-estimation with probabilistic models of geodetic observations, a new Shift-Msplit estimation, which allows to estimate a vector of parameter differences and the Shift-Msplit(+ that is a generalisation of Shift-Msplit estimation if the design matrix A of a functional model has not a full column rank. The new algorithms of the coordinates conversion between the Cartesian and geodetic coordinates, both on the rotational and triaxial ellipsoid can be mentioned as a highlights of the research of the last four years. New parameter estimation models developed have been adopted and successfully applied to the control network and deformation analysis.

  20. Progress on theoretical evaluation method of nuclear data calculation and applied nuclear reaction theory research at the theory group of CNDC

    International Nuclear Information System (INIS)

    Wang Shunnan

    1990-01-01

    The fields of theoretical evaluation method of nuclear data calculations and applied nuclear reaction theory research were described briefly. A global review of phenomenological and microscopic optical potential in nuclear data evaluation of 14 natural elements in the energy range of 0.1-24 MeV has been done. The nuclear fission is studied based on a new fission mechanism-the fission diffusion model. This model was proposed to explain the enhancement of neutron emission in heavy ion collisions

  1. A New Method for Simultaneous Measurement of the Integrated Reflectivity of Crystals at Multiple Orders of Reflection and Comparison with New Theoretical Calculations

    International Nuclear Information System (INIS)

    Lee, S.G.; Bak, J.G.; Jung, Y.S.; Bitter, M.; Hill, K.W.; Hoelzer, G.; Wehrhan, O.; Foerster, E.

    2003-01-01

    This paper describes a new method for the simultaneous measurement of the integrated reflectivity of a crystal for multiple orders of reflection at a predefined Bragg angle. The technique is demonstrated with a mica crystal for Bragg angles of 43 o , 47 o , and 50 o . The measured integrated reflectivity for Bragg reflections up to the 24th order is compared with new theoretical predictions, which are also presented in this paper

  2. High-resolution electron spectroscopy of the 1s{sup 2}3lnl' Be-like series in oxygen and neon. Test of theoretical data: I. Experimental method and theoretical background

    Energy Technology Data Exchange (ETDEWEB)

    Bordenave-Montesquieu, A; Moretto-Capelle, P; Bordenave-Montesquieu, D [Laboratoire CAR-IRSAMC, UMR 5589 CNRS - Universite Paul Sabatier, 31062 Toulouse (France)

    2003-01-14

    A complete and accurate experimental test of theoretical spectroscopic data sets (state positions, lifetimes) available for the n = 3-5 terms of the 1s{sup 2}3lnl' Rydberg series of oxygen and neon ions is presented in a series of two papers. This result was achieved by fitting our high resolution electron spectra with post-collisional lineshapes calculated with the help of these spectroscopic data. In this paper the method which has been developed for this fitting procedure is explained. In addition, as a first test, a comparison of all the available calculated spectroscopic data is presented and discussed. Strong deviations of transition energies and decay lifetimes are observed in many cases. Best data are selected in the following companion paper through a quantitative comparison with our experimental electron spectra.

  3. Problems with the sickness impact profile: a theoretically based analysis and a proposal for a new method of implementation and scoring.

    Science.gov (United States)

    Pollard, B; Johnston, M

    2001-03-01

    The Sickness Impact Profile (SIP) is one of the most widely used health status measures, but there are problems with the measure that lead to inconsistent and illogical scores. There are many desirable features to the SIP development methodology in that it is based on a good range of items and the item weightings are valuable. The current method of scoring the SIP is the use of a summated total and was selected based on limited empirical evidence. However, in this paper we argue that there are problems with the SIP because the current empirically derived method of scoring is incompatible with both the underlying theoretical scaling framework (Thurstone scaling) and the nature of the items in the SIP. In addition, the items do not have properties consistent with the scaling methodology. We suggest that it is crucial to take both a theoretical and empirical approach to selecting a scoring method. To examine problems associated with the SIP we explored the underlying scaling methodology and identified the types of items in the SIP. A new method of scoring is proposed that is consistent with the items and scaling in the SIP, namely using the maximum individual weighting from the items that were checked as a category score. This new method of scoring resolves many of the previously observed problems in the SIP. The new method of scoring also presented the opportunity for a new implementation of the SIP that reduces the number of items that most respondents, especially those with severe limitations, would be asked. Without taking a theoretical approach to scoring we suggest that subsequent, empirically based, scale amendments are unlikely to solve the problems. It is proposed that this new method of scoring justifies a thorough empirical investigation.

  4. Study on the influence of X-ray tube spectral distribution on the analysis of bulk samples and thin films: Fundamental parameters method and theoretical coefficient algorithms

    International Nuclear Information System (INIS)

    Sitko, Rafal

    2008-01-01

    Knowledge of X-ray tube spectral distribution is necessary in theoretical methods of matrix correction, i.e. in both fundamental parameter (FP) methods and theoretical influence coefficient algorithms. Thus, the influence of X-ray tube distribution on the accuracy of the analysis of thin films and bulk samples is presented. The calculations are performed using experimental X-ray tube spectra taken from the literature and theoretical X-ray tube spectra evaluated by three different algorithms proposed by Pella et al. (X-Ray Spectrom. 14 (1985) 125-135), Ebel (X-Ray Spectrom. 28 (1999) 255-266), and Finkelshtein and Pavlova (X-Ray Spectrom. 28 (1999) 27-32). In this study, Fe-Cr-Ni system is selected as an example and the calculations are performed for X-ray tubes commonly applied in X-ray fluorescence analysis (XRF), i.e., Cr, Mo, Rh and W. The influence of X-ray tube spectra on FP analysis is evaluated when quantification is performed using various types of calibration samples. FP analysis of bulk samples is performed using pure-element bulk standards and multielement bulk standards similar to the analyzed material, whereas for FP analysis of thin films, the bulk and thin pure-element standards are used. For the evaluation of the influence of X-ray tube spectra on XRF analysis performed by theoretical influence coefficient methods, two algorithms for bulk samples are selected, i.e. Claisse-Quintin (Can. Spectrosc. 12 (1967) 129-134) and COLA algorithms (G.R. Lachance, Paper Presented at the International Conference on Industrial Inorganic Elemental Analysis, Metz, France, June 3, 1981) and two algorithms (constant and linear coefficients) for thin films recently proposed by Sitko (X-Ray Spectrom. 37 (2008) 265-272)

  5. The GraphoGame Method: The Theoretical and Methodological Background of the Technology-Enhanced Learning Environment for Learning to Read

    Directory of Open Access Journals (Sweden)

    Ulla Richardson

    2014-01-01

    Full Text Available This paper provides an overview of the GraphoGame method. Both theoretical and methodological aspects related to the method are presented. The method’s guiding principles are based on the prevailing theories and experimental research findings on learning and teaching basic reading skills in alphabetic languages, especially from the point of view of a struggling reader. Because the nature of the target language and its relation to its writing system play central roles in the GraphoGame method, this approach requires the method to be flexible in order to be valid for learners of different languages and orthographies. Thus, the aim of the developed technology is to provide an appropriate reading support tool for all learners—from struggling learners to typical learners—in any language environment. We present an overview of results gained from GraphoGame intervention studies as well as challenges for the usability of the method.

  6. A Theoretically Consistent Method for Minimum Mean-Square Error Estimation of Mel-Frequency Cepstral Features

    DEFF Research Database (Denmark)

    Jensen, Jesper; Tan, Zheng-Hua

    2014-01-01

    We propose a method for minimum mean-square error (MMSE) estimation of mel-frequency cepstral features for noise robust automatic speech recognition (ASR). The method is based on a minimum number of well-established statistical assumptions; no assumptions are made which are inconsistent with others....... The strength of the proposed method is that it allows MMSE estimation of mel-frequency cepstral coefficients (MFCC's), cepstral mean-subtracted MFCC's (CMS-MFCC's), velocity, and acceleration coefficients. Furthermore, the method is easily modified to take into account other compressive non-linearities than...... the logarithmic which is usually used for MFCC computation. The proposed method shows estimation performance which is identical to or better than state-of-the-art methods. It further shows comparable ASR performance, where the advantage of being able to use mel-frequency speech features based on a power non...

  7. A theoretical-experimental methodology for assessing the sensitivity of biomedical spectral imaging platforms, assays, and analysis methods.

    Science.gov (United States)

    Leavesley, Silas J; Sweat, Brenner; Abbott, Caitlyn; Favreau, Peter; Rich, Thomas C

    2018-01-01

    Spectral imaging technologies have been used for many years by the remote sensing community. More recently, these approaches have been applied to biomedical problems, where they have shown great promise. However, biomedical spectral imaging has been complicated by the high variance of biological data and the reduced ability to construct test scenarios with fixed ground truths. Hence, it has been difficult to objectively assess and compare biomedical spectral imaging assays and technologies. Here, we present a standardized methodology that allows assessment of the performance of biomedical spectral imaging equipment, assays, and analysis algorithms. This methodology incorporates real experimental data and a theoretical sensitivity analysis, preserving the variability present in biomedical image data. We demonstrate that this approach can be applied in several ways: to compare the effectiveness of spectral analysis algorithms, to compare the response of different imaging platforms, and to assess the level of target signature required to achieve a desired performance. Results indicate that it is possible to compare even very different hardware platforms using this methodology. Future applications could include a range of optimization tasks, such as maximizing detection sensitivity or acquisition speed, providing high utility for investigators ranging from design engineers to biomedical scientists. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Experimental and theoretical study using DFT method for the competitive adsorption of two cationic dyes from wastewaters

    Energy Technology Data Exchange (ETDEWEB)

    Regti, Abdelmajid [Equipe de Chimie Analytique & Environnement, Faculté Poly-disciplinaire, Université Cadi Ayyad, BP 4162, 46000 Safi (Morocco); Instituto de Ciencia Molecular/ICMol, Universidad de Valencia, C/. Catedrático José Beltrán, 2, 46980 Paterna, Valencia (Spain); Ayouchia, Hicham Ben El [Equipe de Chimie Moléculaire, Matériaux et Modélisation, Faculté Poly-disciplinaire, Université Cadi Ayyad, BP 4162, 46000 Safi (Morocco); Instituto de Ciencia Molecular/ICMol, Universidad de Valencia, C/. Catedrático José Beltrán, 2, 46980 Paterna, Valencia (Spain); Laamari, My Rachid [Equipe de Chimie Analytique & Environnement, Faculté Poly-disciplinaire, Université Cadi Ayyad, BP 4162, 46000 Safi (Morocco); Instituto de Ciencia Molecular/ICMol, Universidad de Valencia, C/. Catedrático José Beltrán, 2, 46980 Paterna, Valencia (Spain); Stiriba, Salah Eddine; Anane, Hafid [Equipe de Chimie Moléculaire, Matériaux et Modélisation, Faculté Poly-disciplinaire, Université Cadi Ayyad, BP 4162, 46000 Safi (Morocco); Instituto de Ciencia Molecular/ICMol, Universidad de Valencia, C/. Catedrático José Beltrán, 2, 46980 Paterna, Valencia (Spain); and others

    2016-12-30

    Highlights: • The adsorption efficiency increases with increasing pH, thus more negatively charged surface was available. • Monolayer adsorption and homogeneous adsorbent surface. • The experimental and theoretical data are in good agreement showing that MB has ability to accept electrons allowing more adsorption than BY28 dye. - Abstract: The adsorption of cationic dyes, Basic Yellow (BY28) and Methylene Blue (MB) on a new activated carbon from medlar species were studied in both single and binary system. Some experimental parameters, namely, pH, amount of adsorbent and contact time are studied. Quantum chemical results indicate that the adsorption efficiency was directly related to the dye electrophilicity power. Some theorical parameters were calculated and proved that MB is more electrophilic than BY28, than greatest interaction with surface sites. Kinetic study showed that the adsorption follows the pseudo-second-order model and Freundlich was the best model to describe the phenomenon in the single and binary system. According to the local reactivity results using Parr functions, the sulphur and nitrogen atoms will be the main adsorption sites.

  9. A theoretical basis for the methods to restore working capacity of valve-actiating gear of the cylinder block head

    Directory of Open Access Journals (Sweden)

    Petr V. Senin

    2017-06-01

    Full Text Available Introduction: The article describes the method of reliability improvement of the valveactiating gear of the cylinder block head. Materials and Methods: The method of the dimensional analysis was used for definition of the possible travel of hydro compensator valve mechanisms in the new and used cylinder heads of ZMZ 406 motor. The method is based on micrometer research and precise calculations. Results: The hydro compensator travel in the valve mechanisms of new motor cylinder heads of ZMZ-406 engine is 2.3 mm with maximum deviations of ±0.15 mm. An estimation of dimensional chain was calculated for the rational methods of recovery. The limit values of surface wear were used as the limits of component links. The values were obtained using micrometer researches of used heads of cylinder blocks. When the best combination of wear, possible hydrocompensator travel is 1.98 mm, and when the worst one minus is 0.74 mm, that is, the hydrocompensator travel is not enough to compensate for the wear of component parts. Discussion and Conclusions: The authors of the article propose four ways to improve efficiency of valve mechanisms. As a criterion for selecting a method of repair is proposed to use the total value of the valve. Sinkage for the proposed methods, hydrocompensator travel after repair is from 1.57 to 2.36 mm, which corresponds to the hydrocompensator travel of the new motor cylinder heads.

  10. A Numerical Method for Analysis of In Vitro Time-Dependent Inhibition Data. Part 1. Theoretical Considerations

    Science.gov (United States)

    Nagar, Swati; Jones, Jeffrey P.

    2014-01-01

    Inhibition of cytochromes P450 by time-dependent inhibitors (TDI) is a major cause of clinical drug-drug interactions. It is often difficult to predict in vivo drug interactions based on in vitro TDI data. In part 1 of these manuscripts, we describe a numerical method that can directly estimate TDI parameters for a number of kinetic schemes. Datasets were simulated for Michaelis-Menten (MM) and several atypical kinetic schemes. Ordinary differential equations were solved directly to parameterize kinetic constants. For MM kinetics, much better estimates of KI can be obtained with the numerical method, and even IC50 shift data can provide meaningful estimates of TDI kinetic parameters. The standard replot method can be modified to fit non-MM data, but normal experimental error precludes this approach. Non-MM kinetic schemes can be easily incorporated into the numerical method, and the numerical method consistently predicts the correct model at errors of 10% or less. Quasi-irreversible inactivation and partial inactivation can be modeled easily with the numerical method. The utility of the numerical method for the analyses of experimental TDI data is provided in our companion manuscript in this issue of Drug Metabolism and Disposition (Korzekwa et al., 2014b). PMID:24939654

  11. Theoretical investigation of pressure-induced structural transitions in americium using GGA+U and hybrid density functional theory methods

    DEFF Research Database (Denmark)

    Verma, Ashok K.; Modak, P.; Sharma, Surinder M.

    2013-01-01

    and pressure-induced structural transitions. Both methods yield equilibrium volume and bulk modulus in good agreement with the experimental results. The GGA+spin orbit coupling+U method reproduced all structural transitions under pressure correctly, but the HYB-DFT method failed to reproduce the observed Am......-I to Am-II transition. Good agreement was found between calculated and experimental equations of states for all phases, but the first three phases need larger U (α) parameters (where α represents the fraction of Hartree-Fock exchange energy replacing the DFT exchange energy) than the fourth phase in order...... to match the experimental data. Thus, neither the GGA+U nor the HYB-DFT methods are able to describe the energetics of Am metal properly in the entire pressure range from 0 GPa to 50 GPa with a single choice of their respectiveU and α parameters. Low binding-energy peaks in the experimental photoemission...

  12. Theoretical variance analysis of single- and dual-energy computed tomography methods for calculating proton stopping power ratios of biological tissues

    International Nuclear Information System (INIS)

    Yang, M; Zhu, X R; Mohan, R; Dong, L; Virshup, G; Clayton, J

    2010-01-01

    We discovered an empirical relationship between the logarithm of mean excitation energy (ln I m ) and the effective atomic number (EAN) of human tissues, which allows for computing patient-specific proton stopping power ratios (SPRs) using dual-energy CT (DECT) imaging. The accuracy of the DECT method was evaluated for 'standard' human tissues as well as their variance. The DECT method was compared to the existing standard clinical practice-a procedure introduced by Schneider et al at the Paul Scherrer Institute (the stoichiometric calibration method). In this simulation study, SPRs were derived from calculated CT numbers of known material compositions, rather than from measurement. For standard human tissues, both methods achieved good accuracy with the root-mean-square (RMS) error well below 1%. For human tissues with small perturbations from standard human tissue compositions, the DECT method was shown to be less sensitive than the stoichiometric calibration method. The RMS error remained below 1% for most cases using the DECT method, which implies that the DECT method might be more suitable for measuring patient-specific tissue compositions to improve the accuracy of treatment planning for charged particle therapy. In this study, the effects of CT imaging artifacts due to the beam hardening effect, scatter, noise, patient movement, etc were not analyzed. The true potential of the DECT method achieved in theoretical conditions may not be fully achievable in clinical settings. Further research and development may be needed to take advantage of the DECT method to characterize individual human tissues.

  13. Discourse Analysis of the Documentary Method as "Key" to Self-Referential Communication Systems? Theoretic-Methodological Basics and Empirical Vignettes

    Directory of Open Access Journals (Sweden)

    Gian-Claudio Gentile

    2010-09-01

    Full Text Available Niklas LUHMANN is well known for his deliberate departure from the classical focus on studying individual actions and directing attention on the actors' relatedness through so called (autopoietic communication systems. In contrast to the gain of a new perspective of observation his focus on autopoietic systems is simultaneously its biggest methodological obstacle for the use in social and management sciences. The present contribution considers the above shift on a theoretical level and with a specific qualitative method. It argues for a deeper understanding of systemic sense making and its enactment in a systematic and comprehensible way. Central to this approach is its focus on groups. Using group discussions as the method of data collection, and the "documentary method" by Ralf BOHNSACK (2003 as a method of data analysis, the article describes a methodologically grounded way to record the self-referential systems proposed by LUHMANN's system theory. The theoretical considerations of the paper are illustrated by empirical vignettes derived from a research project conducted in Switzerland concerning the social responsibility of business. URN: urn:nbn:de:0114-fqs1003156

  14. 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

  15. Numerical and theoretical aspects of the modelling of compressible two-phase flow by interface capture methods

    International Nuclear Information System (INIS)

    Kokh, S.

    2001-01-01

    This research thesis reports the development of a numerical direct simulation of compressible two-phase flows by using interface capturing methods. These techniques are based on the use of an Eulerian fixed grid to describe flow variables as well as the interface between fluids. The author first recalls conventional interface capturing methods and makes the distinction between those based on discontinuous colour functions and those based on level set functions. The approach is then extended to a five equation model to allow the largest as possible choice of state equations for the fluids. Three variants are developed. A solver inspired by the Roe scheme is developed for one of them. These interface capturing methods are then refined, more particularly for problems of numerical diffusion at the interface. A last part addresses the study of dynamic phase change. Non-conventional thermodynamics tools are used to study the structures of an interface which performs phase transition [fr

  16. Real-Time Genetic Algorithms-Based MPPT: Study and Comparison (Theoretical an Experimental with Conventional Methods

    Directory of Open Access Journals (Sweden)

    Slimane Hadji

    2018-02-01

    Full Text Available Maximum Power Point Tracking (MPPT methods are used in photovoltaic (PV systems to continually maximize the PV array output power, which strongly depends on both solar radiation and cell temperature. The PV power oscillations around the maximum power point (MPP resulting from the conventional methods and complexity of the non-conventional ones are convincing reasons to look for novel MPPT methods. This paper deals with simple Genetic Algorithms (GAs based MPPT method in order to improve the convergence, rapidity, and accuracy of the PV system. The proposed method can also efficiently track the global MPP, which is very useful for partial shading. At first, a review of the algorithm is given, followed with many test examples; then, a comparison by means Matlab/Simulink© (R2009b is conducted between the proposed MPPT and, the popular Perturb and Observe (PO and Incremental Conductance (IC techniques. The results show clearly the superiority of the proposed controller. Indeed, with the proposed algorithm, oscillations around the MPP are dramatically minimized, a better stability is observed and increase in the output power efficiency is obtained. All these results are experimentally validated by a test bench developed at LIAS laboratory (Poitiers University, Poitiers, France using real PV panels and a PV emulator which allows one to define a profile insolation model. In addition, the proposed method permits one to perform the test of linearity between the optimal current I mp (current at maximum power and the short-circuit current I sc , and between the optimal voltage V mp and open-circuit voltage V oc , so the current and voltage factors can be easily obtained with our algorithm.

  17. Education Policy Convergence through the Open Method of Coordination: Theoretical Reflections and Implementation in "Old" and "New" National Contexts

    Science.gov (United States)

    Alexiadou, Nafsika; Fink-Hafner, Danica; Lange, Bettina

    2010-01-01

    This article addresses two key questions about the convergence of education policies in the European Union (EU). How does the open method of coordination (OMC), a new governance instrument for the Europeanisation of education policies, change existing national education policy making and how can the OMC and national responses to it be researched?…

  18. Theoretical investigation of cyromazine tautomerism using density functional theory and Møller–Plesset perturbation theory methods

    Science.gov (United States)

    A computational chemistry analysis of six unique tautomers of cyromazine, a pesticide used for fly control, was performed with density functional theory (DFT) and canonical second order Møller–Plesset perturbation theory (MP2) methods to gain insight into the contributions of molecular structure to ...

  19. Theoretical considerations and a simple method for measuring alkalinity and acidity in low-pH waters by gran titration

    Science.gov (United States)

    Barringer, J.L.; Johnsson, P.A.

    1996-01-01

    Titrations for alkalinity and acidity using the technique described by Gran (1952, Determination of the equivalence point in potentiometric titrations, Part II: The Analyst, v. 77, p. 661-671) have been employed in the analysis of low-pH natural waters. This report includes a synopsis of the theory and calculations associated with Gran's technique and presents a simple and inexpensive method for performing alkalinity and acidity determinations. However, potential sources of error introduced by the chemical character of some waters may limit the utility of Gran's technique. Therefore, the cost- and time-efficient method for performing alkalinity and acidity determinations described in this report is useful for exploring the suitability of Gran's technique in studies of water chemistry.

  20. The application of semianalytic method for calculating the thickness of biological shields of nuclear reactors. Part 1. Theoretical basis of a semianalytic method. Attenuation of neutrons' radiation

    International Nuclear Information System (INIS)

    Lukaszek, W.; Kucypera, S.

    1982-01-01

    The basis of a semianalytic method for calculating attenuation of rays (neutron, gamma) in material medium is described. The method was applied in determining the neutrons' flux density in one dimensional Cartesian geometry of the reflector and the shield. (author)

  1. 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

  2. Theoretical methods for neutronics calculations of core-blanket and core-reflector systems in fast reactors

    International Nuclear Information System (INIS)

    Corcuera, Roberto.

    1975-12-01

    The present work is a contribution to the neutronics calculational methods of fast neutron reactors. The first step is devoted to the analysis of the validity of the few-groups (of the order of 25) multigroup scheme, and of the transport-correction approximation for the treatment of the scattering anisotropy. This analysis includes both the reactor core, where the usual approximations are found to be satisfactory, and the reflector, where it turns out that the rapid variations of the neutron flux and of it's spectrum necessitate the improvement of the multigroup cross-sections' generation. Therefore, a zero-dimensional simple and accurate model for the average spectrum in the reflector is developed by the space-energy synthesis method. Finally using the Rayleigh-Ritz method, a model is developed in which the flux is spatially represented by an analytical function. This model is applied to the analysis of the sensitivity of reflector neutronics parameters to the variations of the cross sections [fr

  3. Theoretical background and implementation of the finite element method for multi-dimensional Fokker-Planck equation analysis

    Czech Academy of Sciences Publication Activity Database

    Král, Radomil; Náprstek, Jiří

    2017-01-01

    Roč. 113, November (2017), s. 54-75 ISSN 0965-9978 R&D Projects: GA ČR(CZ) GP14-34467P; GA ČR(CZ) GA15-01035S Institutional support: RVO:68378297 Keywords : Fokker-Planck equation * finite element method * simplex element * multi-dimensional problem * non-symmetric operator Subject RIV: JM - Building Engineering OBOR OECD: Mechanical engineering Impact factor: 3.000, year: 2016 https://www.sciencedirect.com/science/article/pii/S0965997817301904

  4. Theoretically Guided Analytical Method Development and Validation for the Estimation of Rifampicin in a Mixture of Isoniazid and Pyrazinamide by UV Spectrophotometer

    Science.gov (United States)

    Khan, Mohammad F.; Rita, Shamima A.; Kayser, Md. Shahidulla; Islam, Md. Shariful; Asad, Sharmeen; Bin Rashid, Ridwan; Bari, Md. Abdul; Rahman, Muhammed M.; Al Aman, D. A. Anwar; Setu, Nurul I.; Banoo, Rebecca; Rashid, Mohammad A.

    2017-01-01

    A simple, rapid, economic, accurate, and precise method for the estimation of rifampicin in a mixture of isoniazid and pyrazinamide by UV spectrophotometeric technique (guided by the theoretical investigation of physicochemical properties) was developed and validated. Theoretical investigations revealed that isoniazid and pyrazinamide both were freely soluble in water and slightly soluble in ethyl acetate whereas rifampicin was practically insoluble in water but freely soluble in ethyl acetate. This indicates that ethyl acetate is an effective solvent for the extraction of rifampicin from a water mixture of isoniazid and pyrazinamide. Computational study indicated that pH range of 6.0–8.0 would favor the extraction of rifampicin. Rifampicin is separated from isoniazid and pyrazinamide at pH 7.4 ± 0.1 by extracting with ethyl acetate. The ethyl acetate was then analyzed at λmax of 344.0 nm. The developed method was validated for linearity, accuracy and precision according to ICH guidelines. The proposed method exhibited good linearity over the concentration range of 2.5–35.0 μg/mL. The intraday and inter-day precision in terms of % RSD ranged from 1.09 to 1.70% and 1.63 to 2.99%, respectively. The accuracy (in terms of recovery) of the method varied from of 96.7 ± 0.9 to 101.1 ± 0.4%. The LOD and LOQ were found to be 0.83 and 2.52 μg/mL, respectively. In addition, the developed method was successfully applied to determine rifampicin combination (isoniazid and pyrazinamide) brands available in Bangladesh. PMID:28503547

  5. Theoretically Guided Analytical Method Development and Validation for the Estimation of Rifampicin in a Mixture of Isoniazid and Pyrazinamide by UV Spectrophotometer.

    Science.gov (United States)

    Khan, Mohammad F; Rita, Shamima A; Kayser, Md Shahidulla; Islam, Md Shariful; Asad, Sharmeen; Bin Rashid, Ridwan; Bari, Md Abdul; Rahman, Muhammed M; Al Aman, D A Anwar; Setu, Nurul I; Banoo, Rebecca; Rashid, Mohammad A

    2017-01-01

    A simple, rapid, economic, accurate, and precise method for the estimation of rifampicin in a mixture of isoniazid and pyrazinamide by UV spectrophotometeric technique (guided by the theoretical investigation of physicochemical properties) was developed and validated. Theoretical investigations revealed that isoniazid and pyrazinamide both were freely soluble in water and slightly soluble in ethyl acetate whereas rifampicin was practically insoluble in water but freely soluble in ethyl acetate. This indicates that ethyl acetate is an effective solvent for the extraction of rifampicin from a water mixture of isoniazid and pyrazinamide. Computational study indicated that pH range of 6.0-8.0 would favor the extraction of rifampicin. Rifampicin is separated from isoniazid and pyrazinamide at pH 7.4 ± 0.1 by extracting with ethyl acetate. The ethyl acetate was then analyzed at λ max of 344.0 nm. The developed method was validated for linearity, accuracy and precision according to ICH guidelines. The proposed method exhibited good linearity over the concentration range of 2.5-35.0 μg/mL. The intraday and inter-day precision in terms of % RSD ranged from 1.09 to 1.70% and 1.63 to 2.99%, respectively. The accuracy (in terms of recovery) of the method varied from of 96.7 ± 0.9 to 101.1 ± 0.4%. The LOD and LOQ were found to be 0.83 and 2.52 μg/mL, respectively. In addition, the developed method was successfully applied to determine rifampicin combination (isoniazid and pyrazinamide) brands available in Bangladesh.

  6. Information Theoretic Subspace Clustering.

    Science.gov (United States)

    He, Ran; Wang, Liang; Sun, Zhenan; Zhang, Yingya; Li, Bo

    2016-12-01

    This paper addresses the problem of grouping the data points sampled from a union of multiple subspaces in the presence of outliers. Information theoretic objective functions are proposed to combine structured low-rank representations (LRRs) to capture the global structure of data and information theoretic measures to handle outliers. In theoretical part, we point out that group sparsity-induced measures ( l 2,1 -norm, l α -norm, and correntropy) can be justified from the viewpoint of half-quadratic (HQ) optimization, which facilitates both convergence study and algorithmic development. In particular, a general formulation is accordingly proposed to unify HQ-based group sparsity methods into a common framework. In algorithmic part, we develop information theoretic subspace clustering methods via correntropy. With the help of Parzen window estimation, correntropy is used to handle either outliers under any distributions or sample-specific errors in data. Pairwise link constraints are further treated as a prior structure of LRRs. Based on the HQ framework, iterative algorithms are developed to solve the nonconvex information theoretic loss functions. Experimental results on three benchmark databases show that our methods can further improve the robustness of LRR subspace clustering and outperform other state-of-the-art subspace clustering methods.

  7. Theoretical study of annealed proton-exchanged Nd $LiNbO_{3}$ channel waveguide lasers with variational method

    CERN Document Server

    De Long Zhang; Yuan Guo Xie; Guilan, Ding; Yuming, Cui; Cai He Chen

    2001-01-01

    The controllable fabrication parameters, including anneal time, initial exchange time, channel width, dependences of TM/sub 00/ mode size, corresponding effective refractive index, effective pump area, and coupling efficiency between pump and laser modes in z-cut annealed proton-exchanged (APE) Nd:LiNbO/sub 3/ channel waveguide lasers were studied by using variational method. The effect of channel width on the surface index increment and the waveguide depth was taken into account. The features of mode size and effective refractive index were summarized, discussed, and compared with previously published experimental results. The effective pump area, which is directly proportional to threshold pump power, increases strongly, slightly, and very slightly with the increase of anneal time, channel width, and initial exchange time, respectively. However, the coupling efficiency, which is directly proportional to slope efficiency, remains constant (around 0.82) no matter what changes made to these parameters. The var...

  8. The design and testing of a caring teaching model based on the theoretical framework of caring in the Chinese Context: a mixed-method study.

    Science.gov (United States)

    Guo, Yujie; Shen, Jie; Ye, Xuchun; Chen, Huali; Jiang, Anli

    2013-08-01

    This paper aims to report the design and test the effectiveness of an innovative caring teaching model based on the theoretical framework of caring in the Chinese context. Since the 1970's, caring has been a core value in nursing education. In a previous study, a theoretical framework of caring in the Chinese context is explored employing a grounded theory study, considered beneficial for caring education. A caring teaching model was designed theoretically and a one group pre- and post-test quasi-experimental study was administered to test its effectiveness. From Oct, 2009 to Jul, 2010, a cohort of grade-2 undergraduate nursing students (n=64) in a Chinese medical school was recruited to participate in the study. Data were gathered through quantitative and qualitative methods to evaluate the effectiveness of the caring teaching model. The caring teaching model created an esthetic situation and experiential learning style for teaching caring that was integrated within the curricula. Quantitative data from the quasi-experimental study showed that the post-test scores of each item were higher than those on the pre-test (p<0.01). Thematic analysis of 1220 narratives from students' caring journals and reports of participant class observation revealed two main thematic categories, which reflected, from the students' points of view, the development of student caring character and the impact that the caring teaching model had on this regard. The model could be used as an integrated approach to teach caring in nursing curricula. It would also be beneficial for nursing administrators in cultivating caring nurse practitioners. Copyright © 2012 Elsevier Ltd. All rights reserved.

  9. Theoretical methodical aspects of forming skills of swimming among the different groups of population in the process of physical education and sport taking into account gender differences

    Directory of Open Access Journals (Sweden)

    Hanchar А.І.

    2012-03-01

    Full Text Available Research purpose: to expose theoretical and practical bases of effective methods of forming of skills of swimming at the different groups of population taking into account the gender differences of student in the process of physical education and sport. The dominant aspects of forming skills of swimming for different age-dependent groups are set. The negative phenomena of organizational character, which does not allow in good time and reliably to form for a man vitally important skills of safe movement on water, are selected. 5 basic aspects of forming of skills are recommended swimming which characterize high-quality realization of educational in detail, professionally-applied, health-improvement-hygienical, medical prophylactic and sporting-pedagogical influences of facilities of swimming on a population.

  10. Effects of lattice parameters on piezoelectric constants in wurtzite materials: A theoretical study using first-principles and statistical-learning methods

    Science.gov (United States)

    Momida, Hiroyoshi; Oguchi, Tamio

    2018-04-01

    Longitudinal piezoelectric constant (e 33) values of wurtzite materials, which are listed in a structure database, are calculated and analyzed by using first-principles and statistical learning methods. It is theoretically shown that wurtzite materials with high e 33 generally have small lattice constant ratios (c/a) almost independent of constituent elements, and approximately expressed as e 33 ∝ c/a - (c/a)0 with ideal lattice constant ratio (c/a)0. This relation also holds for highly-piezoelectric ternary materials such as Sc x Al1- x N. We conducted a search for high-piezoelectric wurtzite materials by identifying materials with smaller c/a values. It is proposed that the piezoelectricity of ZnO can be significantly enhanced by substitutions of Zn with Ca.

  11. Group theoretical methods in Physics

    International Nuclear Information System (INIS)

    Olmo, M.A. del; Santander, M.; Mateos Guilarte, J.M.

    1993-01-01

    The meeting had 102 papers. These was distributed in following areas: -Quantum groups,-Integrable systems,-Physical Applications of Group Theory,-Mathematical Results,-Geometry, Topology and Quantum Field Theory,-Super physics,-Super mathematics,-Atomic, Molecular and Condensed Matter Physics. Nuclear and Particle Physics,-Symmetry and Foundations of classical and Quantum mechanics

  12. Group theoretical methods in physics

    International Nuclear Information System (INIS)

    Zachary, W.W.

    1984-01-01

    This book presents the papers given at a colloquium on group theory. Topics considered at the colloquium included supersymmetric Yang-Mills fields and relations with other nonlinear systems, quantum chaos, a Lie-transformed action principle for classical plasma dynamics, an obstacle to predictability, perturbation theory, simple Lie groups, coherent states, scattering and band structure problems, scattering amplitudes, bosons, charge density wave superconductors, harmonic analysis of boson algebras, the gauge principle, the equivalence principle, supergravity, quantum field theory, quantum gravity, and the Cauchy problem

  13. Comparison of elution efficiency of 99Mo/99mTc generator using theoretical and a free web based software method

    International Nuclear Information System (INIS)

    Kiran Kumar, J.K.; Sharma, S.; Chakraborty, D.; Singh, B.; Bhattacharaya, A.; Mittal, B.R.; Gayana, S.

    2010-01-01

    Full text: Generator is constructed on the principle of decay growth relationship between a long lived parent radionuclide and short lived daughter radionuclide. Difference in chemical properties of daughter and parent radionuclide helps in efficient separation of the two radionuclides. Aim and Objectives: The present study was designed to calculate the elution efficiency of the generator using the traditional formula based method and free web based software method. Materials and Methods: 99 Mo/ 99m Tc MON.TEK (Monrol, Gebze) generator and sterile 0.9% NaCl vial and vacuum vial in the lead shield were used for the elution. A new 99 Mo/ 99m Tc generator (calibrated activity 30GBq) calibrated for thursday was received on monday morning in our department. Generator was placed behind lead bricks in fume hood. The rubber plugs of both vacuum and 0.9% NaCl vial were wiped with 70% isopropyl alcohol swabs. Vacuum vial placed inside the lead shield was inserted in the vacuum position simultaneously 10 ml NaCl vial was inserted in the second slot. After 1-2 min vacuum vial was removed without moving the emptied 0.9%NaCl vial. The vacuum slot was covered with another sterile vial to maintain sterility. The RAC was measured in the calibrated dose calibrator (Capintec, 15 CRC). The elution efficiency was calculated theoretically and using free web based software (Apache Web server (www.apache.org) and PHP (www.php.net). Web site of the Italian Association of Nuclear Medicine and Molecular Imaging (www.aimn.it). Results: The mean elution efficiency calculated by theoretical method was 93.95% +0.61. The mean elution efficiency as calculated by the software was 92.85% + 0.89. There was no statistical difference in both the methods. Conclusion: The free web based software provides precise and reproducible results and thus saves time and mathematical calculation steps. This enables a rational use of available activity and also enabling a selection of the type and number of

  14. 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...

  15. Theoretical hydrodynamics

    CERN Document Server

    Milne-Thomson, L M

    2011-01-01

    This classic exposition of the mathematical theory of fluid motion is applicable to both hydrodynamics and aerodynamics. Based on vector methods and notation with their natural consequence in two dimensions - the complex variable - it offers more than 600 exercises and nearly 400 diagrams. Prerequisites include a knowledge of elementary calculus. 1968 edition.

  16. A Review of the Theoretical Basis, Effects, and Cost Effectiveness of Online Smoking Cessation Interventions in the Netherlands: A Mixed-Methods Approach.

    Science.gov (United States)

    Cheung, Kei Long; Wijnen, Ben; de Vries, Hein

    2017-06-23

    Tobacco smoking is a worldwide public health problem. In 2015, 26.3% of the Dutch population aged 18 years and older smoked, 74.4% of them daily. More and more people have access to the Internet worldwide; approximately 94% of the Dutch population have online access. Internet-based smoking cessation interventions (online cessation interventions) provide an opportunity to tackle the scourge of tobacco. The goal of this paper was to provide an overview of online cessation interventions in the Netherlands, while exploring their effectivity, cost effectiveness, and theoretical basis. A mixed-methods approach was used to identify Dutch online cessation interventions, using (1) a scientific literature search, (2) a grey literature search, and (3) expert input. For the scientific literature, the Cochrane review was used and updated by two independent researchers (n=651 identified studies), screening titles, abstracts, and then full-text studies between 2013 and 2016 (CENTRAL, MEDLINE, and EMBASE). For the grey literature, the researchers conducted a Google search (n=100 websites), screening for titles and first pages. Including expert input, this resulted in six interventions identified in the scientific literature and 39 interventions via the grey literature. Extracted data included effectiveness, cost effectiveness, theoretical factors, and behavior change techniques used. Overall, many interventions (45 identified) were offered. Of the 45 that we identified, only six that were included in trials provided data on effectiveness. Four of these were shown to be effective and cost effective. In the scientific literature, 83% (5/6) of these interventions included changing attitudes, providing social support, increasing self-efficacy, motivating smokers to make concrete action plans to prepare their attempts to quit and to cope with challenges, supporting identity change and advising on changing routines, coping, and medication use. In all, 50% (3/6) of the interventions

  17. Soil scientific survey of 220/38 kV cable circuits of the power station 'Eemscentrale' in the Dutch province Groningen; Theoretical backgrounds, research method and results

    International Nuclear Information System (INIS)

    Langevoord, J.; Van Loon, L.J.M.

    1995-01-01

    Recently, five underground cable circuits were completed at the site of the EPON (an energy utility for the north-eastern part of the Netherlands) title power station, consisting of two 220 kV and two 380 kV connections with a total length of 24 km. Soil scientific in situ investigations and laboratory tests were carried out in advance to collect data, on the basis of which thermal resistivity and critical thermal conditions could be calculated. It was demonstrated by the calculated results that no de-hydrated zones occurred around the cable for design criteria conditions. Optimal cable bed conditions could be achieved, using some of the sand excavated from the trench. In this article, attention will be paid to theoretical aspects of heat transfer of cables for underground electricity transport, the research method of the soil scientific survey, and the results of the survey for the design of the cable connection, to be made by NKF (cable manufacturer) and for the final execution of the cable design. In the second article, to be published in a next issue of this magazine, attention will be paid to soil scientific marginal conditions and soil scientific supervision during the realization. 9 figs., 6 tabs., 9 refs

  18. Studies on the matched potential method for determining the selectivity coefficients of ion-selective electrodes based on neutral ionophores: experimental and theoretical verification.

    Science.gov (United States)

    Tohda, K; Dragoe, D; Shibata, M; Umezawa, Y

    2001-06-01

    A theory is presented that describes the matched potential method (MPM) for the determination of the potentiometric selectivity coefficients (KA,Bpot) of ion-selective electrodes for two ions with any charge. This MPM theory is based on electrical diffuse layers on both the membrane and the aqueous side of the interface, and is therefore independent of the Nicolsky-Eisenman equation. Instead, the Poisson equation is used and a Boltzmann distribution is assumed with respect to all charged species, including primary, interfering and background electrolyte ions located at the diffuse double layers. In this model, the MPM-selectivity coefficients of ions with equal charge (ZA = ZB) are expressed as the ratio of the concentrations of the primary and interfering ions in aqueous solutions at which the same amounts of the primary and interfering ions permselectively extracted into the membrane surface. For ions with unequal charge (ZA not equal to ZB), the selectivity coefficients are expressed as a function not only of the amounts of the primary and interfering ions permeated into the membrane surface, but also of the primary ion concentration in the initial reference solution and the delta EMF value. Using the measured complexation stability constants and single ion distribution coefficients for the relevant systems, the corresponding MPM selectivity coefficients can be calculated from the developed MPM theory. It was found that this MPM theory is capable of accurately and precisely predicting the MPM selectivity coefficients for a series of ion-selective electrodes (ISEs) with representative ionophore systems, which are generally in complete agreement with independently determined MPM selectivity values from the potentiometric measurements. These results also conclude that the assumption for the Boltzmann distribution was in fact valid in the theory. The recent critical papers on MPM have pointed out that because the MPM selectivity coefficients are highly concentration

  19. A collection of research reporting, theoretical analysis, and practical applications in science education: Examining qualitative research methods, action research, educator-researcher partnerships, and constructivist learning theory

    Science.gov (United States)

    Hartle, R. Todd

    2007-12-01

    Educator-researcher partnerships are increasingly being used to improve the teaching of science. Chapter 1 provides a summary of the literature concerning partnerships, and examines the justification of qualitative methods in studying these relationships. It also justifies the use of Participatory Action Research (PAR). Empirically-based studies of educator-researcher partnership relationships are rare despite investments in their implementation by the National Science Foundation (NSF) and others. Chapter 2 describes a qualitative research project in which participants in an NSF GK-12 fellowship program were studied using informal observations, focus groups, personal interviews, and journals to identify and characterize the cultural factors that influenced the relationships between the educators and researchers. These factors were organized into ten critical axes encompassing a range of attitudes, behaviors, or values defined by two stereotypical extremes. These axes were: (1) Task Dictates Context vs. Context Dictates Task; (2) Introspection vs. Extroversion; (3) Internal vs. External Source of Success; (4) Prior Planning vs. Implementation Flexibility; (5) Flexible vs. Rigid Time Sense; (6) Focused Time vs. Multi-tasking; (7) Specific Details vs. General Ideas; (8) Critical Feedback vs. Encouragement; (9) Short Procedural vs. Long Content Repetition; and (10) Methods vs. Outcomes are Well Defined. Another ten important stereotypical characteristics, which did not fit the structure of an axis, were identified and characterized. The educator stereotypes were: (1) Rapport/Empathy; (2) Like Kids; (3) People Management; (4) Communication Skills; and (5) Entertaining. The researcher stereotypes were: (1) Community Collaboration; (2) Focus Intensity; (3) Persistent; (4) Pattern Seekers; and (5) Curiosity/Skeptical. Chapter 3 summarizes the research presented in chapter 2 into a practical guide for participants and administrators of educator-researcher partnerships

  20. Field theoretical finite element method to provide theoretical calibration curves for the electrical direct-current potential crack-monitoring system as applied to a three-dimensional fracture mechanics specimen with surface crack

    International Nuclear Information System (INIS)

    Dietrich, R.

    1984-01-01

    The basic concepts of the finite element method are explained. The results are compared to existing calibration curves for such test piece geometries derived using experimental procedures. (orig./HP) [de

  1. Basic course theoretical physics 5/2. Quantum mechanics - methods and applications. 7. upd. ed.; Grundkurs Theoretische Physik 5/2. Quantenmechanik - Methoden und Anwendungen

    Energy Technology Data Exchange (ETDEWEB)

    Nolting, Wolfgang [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik

    2012-07-01

    The favourite basic course theoretical physics covers in seven volumes all for the diploma and bachelor/master curricula decisive fields. Each volume mediates well considerably the theoretic-physical knowledge necessary in each semester. Numerous exercise problems with extended solutions serve for the deepening of the matter. The second part of the fifth volume deals with application and the extension of the concept of quantum mechanics developed in the first part. The present new edition contains some new problems, was worked out, and supplemented. It makes by the two-colour presentation a very distinct and fast access to the subject of teaching.

  2. Study on mechanism of photocatalytic performance of La-doped TiO2/Ti photoelectrodes by theoretical and experimental methods

    International Nuclear Information System (INIS)

    Xin Yanjun; Liu Huiling

    2011-01-01

    TiO 2 photoelectrodes with various nanostructures have been successfully prepared by the anodization method. The morphology, microstructure and optical properties of as-prepared photoelectrodes were studied by scanning electron microscopy (SEM), X-ray diffraction (XRD), ultraviolet/visible light diffuse reflectance spectra (UV/vis/DRS), surface photovoltage spectroscopy (SPS) and photocurrent. The electronic structure and optical properties of La doped/undoped TiO 2 photoelectrodes with different crystal structures were calculated by the density function theory. The photocatalytic and photoelectrocatalytic activities of as-prepared photoelectrodes were evaluated. The results showed that the anodization potentials played a crucial role in the surface morphology and microstructure. Both results of theoretical calculations and experimental tests demonstrated that La-doped photoelectrodes were more sensitive to light than undoped one. The difference of photoelectrodes performance was ascribed to the crystal configuration, impurity energy levels and long-range orientation moving of photogenerated carriers. - Graphical abstract: Photophysical chemistry processes in as-prepared TiO 2 photoelectrodes. Overall scheme of TiO 2 photoelectrodes: (A) movement of photoelectrons and holes without bias potentials; (B) movement of photoelectrons and holes at applied bias potentials; (a) and (b) were the transmission of photogenerated electrons and holes of local enlargement of (A) (black open circle): (a) photoelectrons movement in P-TiO 2 photoelectrodes and La-TiO 2 photoelectrodes, the red dot line denotes the top of valence band (VB) and the bottom of conduction band (CB) of pure photoelectrodes; (b) photoelectrons movement in P-160 and La-160 TiO 2 photoelectrodes (mixed crystal phase). The number refers to as follows: (1) transmission process of photoelectrons and holes; (2) recombination process of photoelectrons and holes. Arrows represent the moving direction of

  3. Is IPE just 'boring',1 or committed to problematic meta-theoretic|al assumptions? A critical engagement with the politics of method

    Directory of Open Access Journals (Sweden)

    Heloise Weber

    2015-12-01

    Full Text Available Abstract In my contribution to this forum on IPE, my aim is to add further to the critical interventions in the debate ignited by Benjamin Cohen. The call to discuss the state of IPE has been timely, though not only because (some IPE journals have indeed become uninteresting; much more is at stake. Intellectual debate in the field has now not only narrowed, but has also shifted away from engaging the underlying premises of (global development, inequalities, and relations of domination. As such, the mainstream framing of IPE is arguably also implicated in a project of 'gate-keeping'. This is not to say that the intellectual richness and creativity that Cohen has called for in the study of IPE does not exist; such work is pursued by scholars of IR, more broadly conceived, and not just by those in other disciplines. Such richer scholarship has for instance, been advanced by historical sociologists, postcolonial theorists, and critical scholars of global development/global political economy including many working from feminist political-economic perspectives. The absence of an engagement with such perspectives in the mainstream of IPE can perhaps be explained to some extent by reference to ideological dispositions and attempts to maintain a hold on the disciplinary core along epistemological and methodological premises committed to ostensibly power-free and value-free analysis. The consequences are felt, as Cohen notes, also in the context of training and preparing future generations of IPE scholars, where current practices tend to reproduce students unable to 'ask and respond to the big questions', and who have instead come to be satisfied with applying 'accepted' methods. Critical scholars, on the other hand, have continuously pushed beyond the analytical and theoretical boundaries, engaging for example, with questions of power, domination and resistance, and more often than not such analyses are grounded in empirical research. In this

  4. Structural differences existing in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}: Investigated by experimental and theoretical methods

    Energy Technology Data Exchange (ETDEWEB)

    Nigam, Sandeep, E-mail: snigam@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Sudarsan, V., E-mail: vsudar@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Majumder, C.; Vatsa, R.K. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

    2013-04-15

    Present manuscript deals with the structural changes associated with transformation of bulk Y{sub 2}Sn{sub 2}O{sub 7} into nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}. Nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7} both undoped and Eu{sup 3+} doped, were prepared at a relatively low temperature (700 °C) and investigated for their structural and luminescence properties and compared them with that of bulk Y{sub 2}Sn{sub 2}O{sub 7} sample prepared by the solid-state method at 1300 °C. Significant distortion in geometry and electron density distribution around Y{sup 3+}/Eu{sup 3+} ions in nanoparticles are confirmed from the Rietveld refinement of the powder X-ray diffraction patterns and theoretical calculations based on the density functional theory (DFT). The SnO{sub 6} octahedron in Y{sub 2}Sn{sub 2}O{sub 7} is more expanded in nanoparticles compared to bulk. Iso-surface density distribution reveals that while bulk sample shows typical ionic feature in Y/Eu--O bonds, nanoparticle sample shows sharing of electron density along bond axis pertaining to covalent character. These inferences are further supported by the doped Eu{sup 3+} luminescence and calculated Ω{sub 2} and Ω{sub 4} parameters. - Graphical abstract: YO{sub 8} scalenohedron present in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}.Variation of the electron density around Y{sup 3+} ions in YO{sub 8} polyhedron is also shown in bulk and nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7}. The difference in the extent of ionic/covalent nature of the Y--O bond is clearly seen the contour plot of electron density. Highlights: ► YO{sub 8} scalenohedron is axially and equatorially distorted in Y{sub 2}Sn{sub 2}O{sub 7} nanoparticles. ► Enlargement of SnO{sub 6} octahedron in nanoparticles of Y{sub 2}Sn{sub 2}O{sub 7} compared to bulk. ► Less symmetric charge distribution around Y{sup 3+} ions in Y{sub 2}Sn{sub 2}O{sub 7} nanoparticles.

  5. 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

  6. 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

  7. Evidence-based selection of theories for designing behaviour change interventions: using methods based on theoretical construct domains to understand clinicians' blood transfusion behaviour.

    Science.gov (United States)

    Francis, Jill J; Stockton, Charlotte; Eccles, Martin P; Johnston, Marie; Cuthbertson, Brian H; Grimshaw, Jeremy M; Hyde, Chris; Tinmouth, Alan; Stanworth, Simon J

    2009-11-01

    Many theories of behaviour are potentially relevant to predictive and intervention studies but most studies investigate a narrow range of theories. Michie et al. (2005) agreed 12 'theoretical domains' from 33 theories that explain behaviour change. They developed a 'Theoretical Domains Interview' (TDI) for identifying relevant domains for specific clinical behaviours, but the framework has not been used for selecting theories for predictive studies. It was used here to investigate clinicians' transfusion behaviour in intensive care units (ICU). Evidence suggests that red blood cells transfusion could be reduced for some patients without reducing quality of care. (1) To identify the domains relevant to transfusion practice in ICUs and neonatal intensive care units (NICUs), using the TDI. (2) To use the identified domains to select appropriate theories for a study predicting transfusion behaviour. An adapted TDI about managing a patient with borderline haemoglobin by watching and waiting instead of transfusing red blood cells was used to conduct semi-structured, one-to-one interviews with 18 intensive care consultants and neonatologists across the UK. Relevant theoretical domains were: knowledge, beliefs about capabilities, beliefs about consequences, social influences, behavioural regulation. Further analysis at the construct level resulted in selection of seven theoretical approaches relevant to this context: Knowledge-Attitude-Behaviour Model, Theory of Planned Behaviour, Social Cognitive Theory, Operant Learning Theory, Control Theory, Normative Model of Work Team Effectiveness and Action Planning Approaches. This study illustrated, the use of the TDI to identify relevant domains in a complex area of inpatient care. This approach is potentially valuable for selecting theories relevant to predictive studies and resulted in greater breadth of potential explanations than would be achieved if a single theoretical model had been adopted.

  8. Evaluation of the Theoretical Geothermal Potential of Inferred Geothermal Reservoirs within the Vicano–Cimino and the Sabatini Volcanic Districts (Central Italy) by the Application of the Volume Method

    OpenAIRE

    Daniele Cinti; Monia Procesi; Pier Paolo Poncia

    2018-01-01

    The evaluation of the theoretical geothermal potential of identified unexploited hydrothermal reservoirs within the Vicano–Cimino and Sabatini volcanic districts (Latium region, Italy) has been made on the basis of a revised version of the classical volume method. This method is based on the distribution of the partial pressure of CO2 (pCO2) in shallow and deep aquifers to delimit areas of geothermal interest, according to the hypothesis that zones of high CO2 flux, either from soil degassing...

  9. Theoretical aspectsof labour evaluation effectiveness

    OpenAIRE

    Ivanov, M.

    2014-01-01

    The article deals with determination of the benchmark for building a system of payment and financial incentives in the agricultural sector. The author theoretically justifies the need for such a measure as a category of “labor efficiency” and gives a theoretical rationale for the use of this category. A method for calculating performance indicators of labor using the coefficients of the quality of work is offered in this article.

  10. Theoretical study of the electronic structure of f-element complexes by quantum chemical methods; Analyse de la structure electronique des complexes contenant des elements F par des methodes de la chimie quantique

    Energy Technology Data Exchange (ETDEWEB)

    Vetere, V

    2002-09-15

    This thesis is related to comparative studies of the chemical properties of molecular complexes containing lanthanide or actinide trivalent cations, in the context of the nuclear waste disposal. More precisely, our aim was a quantum chemical analysis of the metal-ligand bonding in such species. Various theoretical approaches were compared, for the inclusion of correlation (density functional theory, multiconfigurational methods) and of relativistic effects (relativistic scalar and 2-component Hamiltonians, relativistic pseudopotentials). The performance of these methods were checked by comparing computed structural properties to published experimental data, on small model systems: lanthanide and actinide tri-halides and on X{sub 3}M-L species (X=F, Cl; M=La, Nd, U; L = NH{sub 3}, acetonitrile, CO). We have thus shown the good performance of density functionals combined with a quasi-relativistic method, as well as of gradient-corrected functionals associated with relativistic pseudopotentials. In contrast, functionals including some part of exact exchange are less reliable to reproduce experimental trends, and we have given a possible explanation for this result . Then, a detailed analysis of the bonding has allowed us to interpret the discrepancies observed in the structural properties of uranium and lanthanides complexes, based on a covalent contribution to the bonding, in the case of uranium(III), which does not exist in the lanthanide(III) homologues. Finally, we have examined more sizeable systems, closer to experimental species, to analyse the influence of the coordination number, of the counter-ions and of the oxidation state of uranium, on the metal-ligand bonding. (author)

  11. Theoretical and experimental studies on freezing point depression and vapor pressure deficit as methods to measure osmotic pressure of aqueous polyethylene glycol and bovine serum albumin solutions.

    Science.gov (United States)

    Kiyosawa, Keitaro

    2003-05-01

    For survival in adverse environments where there is drought, high salt concentration or low temperature, some plants seem to be able to synthesize biochemical compounds, including proteins, in response to changes in water activity or osmotic pressure. Measurement of the water activity or osmotic pressure of simple aqueous solutions has been based on freezing point depression or vapor pressure deficit. Measurement of the osmotic pressure of plants under water stress has been mainly based on vapor pressure deficit. However, differences have been noted for osmotic pressure values of aqueous polyethylene glycol (PEG) solutions measured by freezing point depression and vapor pressure deficit. For this paper, the physicochemical basis of freezing point depression and vapor pressure deficit were first examined theoretically and then, the osmotic pressure of aqueous ethylene glycol and of PEG solutions were measured by both freezing point depression and vapor pressure deficit in comparison with other aqueous solutions such as NaCl, KCl, CaCl(2), glucose, sucrose, raffinose, and bovine serum albumin (BSA) solutions. The results showed that: (1) freezing point depression and vapor pressure deficit share theoretically the same physicochemical basis; (2) theoretically, they are proportional to the molal concentration of the aqueous solutions to be measured; (3) in practice, the osmotic pressure levels of aqueous NaCl, KCl, CaCl(2), glucose, sucrose, and raffinose solutions increase in proportion to their molal concentrations and there is little inconsistency between those measured by freezing point depression and vapor pressure deficit; (4) the osmotic pressure levels of aqueous ethylene glycol and PEG solutions measured by freezing point depression differed from the values measured by vapor pressure deficit; (5) the osmotic pressure of aqueous BSA solution measured by freezing point depression differed slightly from that measured by vapor pressure deficit.

  12. Theoretical Study of H/D Isotope Effects on Nuclear Magnetic Shieldings Using an ab initio Multi-Component Molecular Orbital Method

    Directory of Open Access Journals (Sweden)

    Masanori Tachikawa

    2013-05-01

    Full Text Available We have theoretically analyzed the nuclear quantum effect on the nuclear magnetic shieldings for the intramolecular hydrogen-bonded systems of σ-hydroxy acyl aromatic species using the gauge-including atomic orbital technique combined with our multi-component density functional theory. The effect of H/D quantum nature for geometry and nuclear magnetic shielding changes are analyzed. Our study clearly demonstrated that the geometrical changes of hydrogen-bonds induced by H/D isotope effect (called geometrical isotope effect: GIE is the dominant factor of deuterium isotope effect on 13C chemical shift.

  13. Barriers and facilitators towards implementing the Sepsis Six care bundle (BLISS-1): a mixed methods investigation using the theoretical domains framework.

    Science.gov (United States)

    Roberts, Neil; Hooper, Guy; Lorencatto, Fabiana; Storr, Wendell; Spivey, Michael

    2017-09-19

    The 'Sepsis 6', a care bundle of basic, but vital, measures (e.g. intravenous fluid, antibiotics) has been implemented to improve sepsis treatment. However, uptake has been variable. Tools from behavioral sciences, such as the Theoretical Domains Framework (TDF) may be used to understand and address such implementation issues. This study used a behavioral science approach to identify barriers and facilitators towards Sepsis Six implementation at a case study hospital. Semi-structured interviews based on the TDF were conducted with a sample group of consultants, junior doctors and nurses from Emergency Department, Medical and Surgical Admissions, to explore barriers/facilitators to Sepsis Six performance. Transcripts were analyzed following the combined principles of content and framework analysis. Emerging themes informed a questionnaire to explore generalizability and importance across a sample of 261 stakeholders. Median importance and agreement ratings for each theme were calculated overall and for each role and clinical area. These were used to identify important barriers and important facilitators as targets for performance improvement. No new belief statements were discovered and data saturation was deemed achieved after 10 interviews. 1699 utterances were coded into 64 belief statements, then collated into a 51-item questionnaire. 113 questionnaire responses were obtained (44.3% response rate). Important barriers included insufficient audit and feedback, poor teamwork and communication, concerns about using the Sepsis Six in certain patients, insufficient training, and resource concerns. Facilitators included confidence in knowledge and skills, beliefs in overall benefits of the bundle, beliefs that identification and management of septic patients fell within everyone's role, and that regular use of the bundle made it easier to remember. Some beliefs were applicable for the entire group, others were specific to particular staff groups. A range of barriers

  14. 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.

  15. 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,…

  16. Comment on "Beyond the SCS-CN method: A theoretical framework for spatially lumped rainfall-runoff response" by M. S. Bartlett et al.

    Science.gov (United States)

    Ogden, Fred L.; Hawkins, Richard Pete; Walter, M. Todd; Goodrich, David C.

    2017-07-01

    Bartlett et al. (2016) performed a re-interpretation and modification of the space-time lumped USDA NRCS (formerly SCS) Curve Number (CN) method to extend its applicability to forested watersheds. We believe that the well documented limitations of the CN method severely constrains the applicability of the modifications proposed by Bartlett et al. (2016). This forward-looking comment urges the research communities in hydrologic science and engineering to consider the CN method as a stepping stone that has outlived its usefulness in research. The CN method fills a narrow niche in certain settings as a parsimonious method having utility as an empirical equation to estimate runoff from a given amount of rainfall, which originated as a static functional form that fits rainfall-runoff data sets. Sixty five years of use and multiple reinterpretations have not resulted in improved hydrological predictability using the method. We suggest that the research community should move forward by (1) identifying appropriate dynamic hydrological model formulations for different hydro-geographic settings, (2) specifying needed model capabilities for solving different classes of problems (e.g., flooding, erosion/sedimentation, nutrient transport, water management, etc.) in different hydro-geographic settings, and (3) expanding data collection and research programs to help ameliorate the so-called "overparameterization" problem in contemporary modeling. Many decades of advances in geo-spatial data and processing, computation, and understanding are being squandered on continued focus on the static CN regression method. It is time to truly "move beyond" the Curve Number method.

  17. Investigation of the spatial structure of des-Gly9-[Arg8]vasopressin by the methods of two-dimensional NMR spectroscopy and theoretical conformational analysis

    International Nuclear Information System (INIS)

    Shenderovich, M.D.; Sekatsis, I.P.; Liepin'sh, E.E.; Nikiforovich, G.V.; Papsuevich, O.S.

    1986-01-01

    An assignment of the 1 H NMR signals of des-Gly 9 -[Arg 8 ]vasopressin in dimethyl sulfoxide has been made by 2D spectroscopy. The SSCCs and temperature coefficients Δδ/Δ T have been obtained for the amide protons and the system of NOE cross-peaks in the two-dimensional NOESY spectrum has been analyzed. The most important information on the spatial structure of des-Gly 9 -[Arg 8 ]vasopressin is given by the low value of the temperature coefficient Δδ/Δ T of the Asn 5 amide proton and the NOE between the α-protons of Cys 1 and Cys 6 . It is assumed that the screening of the NH proton of the Asn 5 residue from the solvent is connected with a β-bend of the backbone in the 2-5 sequence, and the distance between the C/sup α/H atoms of the Cys 1 and Cys 6 residues does not exceed 4 A. Bearing these limitations in mind, a theoretical conformational analysis of the molecule has been made. The group of low-energy conformations of the backbone obtained has been compared with the complete set of NMR characteristics

  18. 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.

  19. Information Theoretic Shape Matching.

    Science.gov (United States)

    Hasanbelliu, Erion; Giraldo, Luis Sanchez; Príncipe, José C

    2014-12-01

    In this paper, we describe two related algorithms that provide both rigid and non-rigid point set registration with different computational complexity and accuracy. The first algorithm utilizes a nonlinear similarity measure known as correntropy. The measure combines second and high order moments in its decision statistic showing improvements especially in the presence of impulsive noise. The algorithm assumes that the correspondence between the point sets is known, which is determined with the surprise metric. The second algorithm mitigates the need to establish a correspondence by representing the point sets as probability density functions (PDF). The registration problem is then treated as a distribution alignment. The method utilizes the Cauchy-Schwarz divergence to measure the similarity/distance between the point sets and recover the spatial transformation function needed to register them. Both algorithms utilize information theoretic descriptors; however, correntropy works at the realizations level, whereas Cauchy-Schwarz divergence works at the PDF level. This allows correntropy to be less computationally expensive, and for correct correspondence, more accurate. The two algorithms are robust against noise and outliers and perform well under varying levels of distortion. They outperform several well-known and state-of-the-art methods for point set registration.

  20. 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

  1. [Analysis of 'treating different diseases by the same method' from aspect of theoretical research and clinical application of 'replenishing Qi and strengthening Shen'].

    Science.gov (United States)

    Dong, Jing-Cheng; Wu, Jin-Feng; Zhang, Hong-Ying; Gong, Wei-Yi; Liu, Bao-Jun; Xu, Hai-lin

    2013-05-01

    Treating different diseases by the same method is one of the most important characteristics in Chinese medicine, and as the main principle of treatment it has been widely applied in Chinese clinics. Its clinical effect is clear. The integration of 'differentiation of diseases' and 'differentiation of syndrome' should be the prerequisite and basis of 'treating different diseases by the same method'. Only if different diseases have the same syndrome, the same treatment can be used on them. Replenishing qi and strengthening Shen is a widely used method that carries out 'treating different diseases by the same method'. It is indicated that the method of 'replenishing qi and strengthening Shen' has preferable effects on many diseases. Part of its mechanism is associated with the improvement of function of neuro-endocrine-immune network, and therefore, it has the clinical effect of 'adjustment of the whole and improvement of the part' on partial disorders. Asthma, chronic obstructive pulmonary disease (COPD), uterine bleeding in puberty, anovulatory infertility, Kidney syndrome and aging, although they are attributed to different diseases and states, only if they have the syndrome of Shen deficiency, the principle of 'treating different diseases by the same method' and the method of 'replenishing qi 'and strengthening Shen' can be used effectively.

  2. A Theoretical Method of Determining the Control Gearing and Time Lag Necessary for a Specified Damping of an Aircraft Equipped with a Constant-Time-Lag Autopilot

    National Research Council Canada - National Science Library

    Gates, Ordway

    1951-01-01

    A method is presented for determining the control gearing and time lag necessary for a specified damping of the motions of an aircraft equipped with an autopilot having constant-time-lag characteristics...

  3. Theoretical study of weakly bound vibrational states of the sodium trimer. Numerical methods; prospects for the formation of Na3 in an ultracold gas

    International Nuclear Information System (INIS)

    Willner, K.

    2006-01-01

    A Mapped Fourier Grid method for solving the radial Schroedinger equation is improved. It is observed that a discrete sine and cosine transform algorithm allows to compute a Hamiltonian matrix the spectrum of which is free of spurious eigenvalues. - The energies of the highest, least bound vibrational states of the Na - Na 2 van der Waals complex are computed using a hyperspherical diabatic-by-sector method. The computed levels are analyzed using quantum defect theory. (orig.)

  4. 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

  5. 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

  6. A Theoretical and Experimental Comparison of One Time Pad Cryptography using Key and Plaintext Insertion and Transposition (KPIT and Key Coloumnar Transposition (KCT Method

    Directory of Open Access Journals (Sweden)

    Pryo Utomo

    2017-06-01

    Full Text Available One Time Pad (OTP is a cryptographic algorithm that is quite easy to be implemented. This algorithm works by converting plaintext and key into decimal then converting into binary number and calculating Exclusive-OR logic. In this paper, the authors try to make the comparison of OTP cryptography using KPI and KCT so that the ciphertext will be generated more difficult to be known. In the Key and Plaintext Insertion (KPI Method, we modify the OTP algorithm by adding the key insertion in the plaintext that has been splitted. Meanwhile in the Key Coloumnar Transposition (KCT Method, we modify the OTP algorithm by dividing the key into some parts in matrix of rows and coloumns. Implementation of the algorithms using PHP programming language.

  7. Theoretical analysis of angular distribution of scattering in nozzle components using a response-function method for proton spot-scanning therapy

    Science.gov (United States)

    Ueda, Hideaki; Furusaka, Michihiro; Matsuura, Taeko; Hirayama, Shusuke; Umegaki, Kikuo

    2018-02-01

    In spot-scanning proton therapy, highly precise beam control is required in the treatment nozzle such that the proton beam does not spread out during transportation by restraining the divergence of the beam angle and spot size, simultaneously. In order to evaluate the beam-broadening behaviour induced by passing through the various nozzle components, we have developed a new method to calculate the angular divergence profile of a proton beam in the nozzle. The angular divergence of the proton beam for each nozzle component is calculated by the Monte Carlo simulation code, Geant4, assuming that the initial beam has no divergence. The angular divergence profiles generated in the various nozzle components are then fitted by the analytic function formula with triple Gaussian distributions. The fitted profiles can be treated like analytic response functions and the angular divergence profile in the nozzle can be easily and systematically calculated by using a convolution theorem. The beam-broadening behaviour during transportation in the nozzle is carefully evaluated. The beam profiles are well-characterized by the proposed angular divergence analysis, i.e. triple Gaussian profile analysis. The primary Gaussian part of the beam profile is mainly generated by air and dose monitors with plate electrode components. The secondary and tertiary Gaussian parts are so-called wide-angle scattering and generated mainly by spot-position and profile monitors with metal window and wire components. The scattering of the nozzle component can be analysed using the proposed response function method for the angular distribution. Multiple convolved angular scattering can be determined from the response function of the individual nozzle components. The angular distribution from small to large angle regions can then be quantitatively evaluated by the proposed method. The method is quite simple and generalized, and is a straightforward way to understand the nozzle and component

  8. Determination of the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system and a comparison between two theoretical methods for synthetic phase diagrams.

    Science.gov (United States)

    Han, Xu; Liu, Yang; Critser, John K

    2010-08-01

    Characterization of the thermodynamic properties of multi-solute aqueous solutions is of critical importance for biological and biochemical research. For example, the phase diagrams of aqueous systems, containing salts, saccharides, and plasma membrane permeating solutes, are indispensible in the field of cryobiology and pharmacology. However, only a few ternary phase diagrams are currently available for these systems. In this study, an auto-sampler differential scanning calorimeter (DSC) was used to determine the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system. To improve the accuracy of melting point measurement, a "mass-redemption" method was also applied for the DSC technique. Base on the analyses of these experimental data, a comparison was made between the two practical approaches to generate phase diagrams of multi-solute solutions from those of single-solute solutions: the summation of cubic polynomial melting point equations versus the use of osmotic virial equations with cross coefficients. The calculated values of the model standard deviations suggested that both methods are satisfactory for characterizing this quaternary system. (c) 2010 Elsevier Inc. All rights reserved.

  9. What is neuroethics? Empirical and theoretical neuroethics.

    Science.gov (United States)

    Northoff, Georg

    2009-11-01

    Neuroethics is a recently emerging field that deals with predominantly empirical and practical issues of ethics in neuroscience. In contrast, theoretical and methodological considerations have rather been neglected and thus what may be called theoretical neuroethics. The review focuses on informed consent and moral judgment as examples of empirical neuroethics and norm-fact circularity and method-based neuroethics as issues of a theoretical neuroethics. It is argued that we need to consider theoretical and methodological issues in order to develop neuroethics as a distinct discipline, which as such can be distinguished from both philosophy/ethics and neuroscience.

  10. 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

  11. 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...

  12. 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

  13. The Theoretical Basis of the Concept of Using the Controlled Pyrotechnical Reaction Method as an Energy Source in Transportation from the Sea Bed

    Directory of Open Access Journals (Sweden)

    Wiktor Filipek

    2017-12-01

    Full Text Available In recent years we have observed the global growing interest in undersea exploitation of mineral deposits. Research on various concepts of operating systems on the seabed has been conducted, where different methods of transporting excavated material from the bottom to the surface are used. Great depths, where there are the most interesting resources (eg. IOM lot for the Clarion-Clipperton 4500 m set very high technical and technological demands which results in intensive search for solutions. The authors of the paper want to explain the concept of the use of pyrotechnic materials for transportation in the aquatic environment. The presented method is designed for the cyclic transport from great depths (less than 200 m from the seabed. The principle of operation of the relay unit is based on the change in the average density of the entire module which is inseparably connected with the force of buoyancy acting on the submerged body. Changing the density of the whole module to the given depth of immersion is strictly dependent on the amount of energy supplied to the system by a power source in the form of a controlled pyrotechnic reaction. However, during the ascent energy demand decreases. The problem of transport of spoil from depth not only boils down to such considerations as initiation of the process of ascent. One should also consider how to use the excess energy occurring during the movement of the object toward the surface. The authors of the paper present the concept of making the transport of cyclic depths (less than 200 m from the seabed taking into account the optimal use of energy from controlled pyrotechnic reaction.

  14. Two projects in theoretical neuroscience: A convolution-based metric for neural membrane potentials and a combinatorial connectionist semantic network method

    Science.gov (United States)

    Evans, Garrett Nolan

    In this work, I present two projects that both contribute to the aim of discovering how intelligence manifests in the brain. The first project is a method for analyzing recorded neural signals, which takes the form of a convolution-based metric on neural membrane potential recordings. Relying only on integral and algebraic operations, the metric compares the timing and number of spikes within recordings as well as the recordings' subthreshold features: summarizing differences in these with a single "distance" between the recordings. Like van Rossum's (2001) metric for spike trains, the metric is based on a convolution operation that it performs on the input data. The kernel used for the convolution is carefully chosen such that it produces a desirable frequency space response and, unlike van Rossum's kernel, causes the metric to be first order both in differences between nearby spike times and in differences between same-time membrane potential values: an important trait. The second project is a combinatorial syntax method for connectionist semantic network encoding. Combinatorial syntax has been a point on which those who support a symbol-processing view of intelligent processing and those who favor a connectionist view have had difficulty seeing eye-to-eye. Symbol-processing theorists have persuasively argued that combinatorial syntax is necessary for certain intelligent mental operations, such as reasoning by analogy. Connectionists have focused on the versatility and adaptability offered by self-organizing networks of simple processing units. With this project, I show that there is a way to reconcile the two perspectives and to ascribe a combinatorial syntax to a connectionist network. The critical principle is to interpret nodes, or units, in the connectionist network as bound integrations of the interpretations for nodes that they share links with. Nodes need not correspond exactly to neurons and may correspond instead to distributed sets, or assemblies, of

  15. Theoretical physics and astrophysics

    CERN Document Server

    Ginzburg, Vitalii Lazarevich

    1979-01-01

    The aim of this book is to present, on the one hand various topics in theoretical physics in depth - especially topics related to electrodynamics - and on the other hand to show how these topics find applications in various aspects of astrophysics. The first text on theoretical physics and astrophysical applications, it covers many recent advances including those in X-ray, &ggr;-ray and radio-astronomy, with comprehensive coverage of the literature

  16. Prediction of Individual Muscle Forces Using Lagrange Multipliers Method - A Model of the Upper Human Limb in the Sagittal Plane: I. Theoretical Considerations.

    Science.gov (United States)

    Raikova, ROSITSA

    2000-01-01

    Analytical solutions of indeterminate problems formulated for biomechanical models with more than one degree of freedom (DOF) are rarely found. This paper is an extension of the investigations of a 1 DOF model (Raikova, 1996, J. Biomechanics, 763-772) for a more complex 3 DOF model. The proposed model of the human upper limb is in the sagittal plane and includes ten muscle elements, four of them being two-joint ones. The formulated optimization task is solved analytically using the method of Lagrange multipliers. It is supposed that the optimization function is complex but can be approximated by a weighted sum of the squared muscle forces, where the nature of the weight factors of the muscles are unknown. The proposed computational algorithm for determination of the unknown individual muscle forces and joint reactions is easily implemented and may be extended without difficulties for more DOF and muscles. The aim is to establish a means of investigation of the possible weight coefficients for different modelled situations, which will help in searching for their physiological interpretation and analytical description.

  17. Theoretical modeling of large molecular systems. Advances in the local self consistent field method for mixed quantum mechanics/molecular mechanics calculations.

    Science.gov (United States)

    Monari, Antonio; Rivail, Jean-Louis; Assfeld, Xavier

    2013-02-19

    Molecular mechanics methods can efficiently compute the macroscopic properties of a large molecular system but cannot represent the electronic changes that occur during a chemical reaction or an electronic transition. Quantum mechanical methods can accurately simulate these processes, but they require considerably greater computational resources. Because electronic changes typically occur in a limited part of the system, such as the solute in a molecular solution or the substrate within the active site of enzymatic reactions, researchers can limit the quantum computation to this part of the system. Researchers take into account the influence of the surroundings by embedding this quantum computation into a calculation of the whole system described at the molecular mechanical level, a strategy known as the mixed quantum mechanics/molecular mechanics (QM/MM) approach. The accuracy of this embedding varies according to the types of interactions included, whether they are purely mechanical or classically electrostatic. This embedding can also introduce the induced polarization of the surroundings. The difficulty in QM/MM calculations comes from the splitting of the system into two parts, which requires severing the chemical bonds that link the quantum mechanical subsystem to the classical subsystem. Typically, researchers replace the quantoclassical atoms, those at the boundary between the subsystems, with a monovalent link atom. For example, researchers might add a hydrogen atom when a C-C bond is cut. This Account describes another approach, the Local Self Consistent Field (LSCF), which was developed in our laboratory. LSCF links the quantum mechanical portion of the molecule to the classical portion using a strictly localized bond orbital extracted from a small model molecule for each bond. In this scenario, the quantoclassical atom has an apparent nuclear charge of +1. To achieve correct bond lengths and force constants, we must take into account the inner shell of

  18. Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol

    Science.gov (United States)

    Demircioğlu, Zeynep; Kaştaş, Çiğdem Albayrak; Büyükgüngör, Orhan

    2015-07-01

    The molecular structure and spectroscopic properties of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol, were characterized by X-ray diffraction, FT-IR and UV-Vis spectroscopy. All of theoretical calculations and optimized geometric parameters have been calculated by using density functional theory (DFT) with hybrid method B3LYP by 6-31G(d,p) basis set. The title compound of C15H15N1O3 have been analyzed according to electronic and energetics behaviors for enol-imine and keto-amine tautomers. Both these tautomers engender six-membered ring due to intramolecular hydrogen bonded interactions. Two types of intramolecular hydrogen bonds (a) strong O-H⋯N interactions in enol-imine form and (b) N-H⋯O interactions in keto-amine form are compared particularly. The theoretical vibrational frequencies have been found in good agreement with the corresponding experimental data. A study on the electronic and optical properties, absorption wavelengths, excitation energy, dipole moment, molecular electrostatic potential (MEP) and frontier molecular orbital energies are performed using DFT method. Additionally, geometry optimizations in solvent media were performed with the same level of theory by the polarizable continuum model (PCM). The effect of solvents on the tautomeric stability has been investigated. Mulliken Population Method and natural population analysis (NPA) have been studied. NBO analysis is carried out to picture the charge transfer between the localized bonds and lone pairs. The local reactivity of the molecule has been studied using the Fukui function. NLO properties related to polarizability and hyperpolarizability are also discussed.

  19. 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.

  20. 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

  1. Theoretical Advanced Study Institute: 2014

    Energy Technology Data Exchange (ETDEWEB)

    DeGrand, Thomas [Univ. of Colorado, Boulder, CO (United States)

    2016-08-17

    The Theoretical Advanced Study Institute (TASI) was held at the University of Colorado, Boulder, during June 2-27, 2014. The topic was "Journeys through the Precision Frontier: Amplitudes for Colliders." The organizers were Professors Lance Dixon (SLAC) and Frank Petriello (Northwestern and Argonne). There were fifty-one students. Nineteen lecturers gave sixty seventy-five minute lectures. A Proceedings was published. This TASI was unique for its large emphasis on methods for calculating amplitudes. This was embedded in a program describing recent theoretical and phenomenological developments in particle physics. Topics included introductions to the Standard Model, to QCD (both in a collider context and on the lattice), effective field theories, Higgs physics, neutrino interactions, an introduction to experimental techniques, and cosmology.

  2. Theoretical investigation on the bond dissociation enthalpies of phenolic compounds extracted from Artocarpus altilis using ONIOM(ROB3LYP/6-311++G(2df,2p):PM6) method

    Science.gov (United States)

    Thong, Nguyen Minh; Duong, Tran; Pham, Linh Thuy; Nam, Pham Cam

    2014-10-01

    Theoretical calculations have been performed to predict the antioxidant property of phenolic compounds extracted from Artocarpus altilis. The Osbnd H bond dissociation enthalpy (BDE), ionization energy (IE), and proton dissociation enthalpy (PDE) of the phenolic compounds have been computed. The ONIOM(ROB3LYP/6-311++G(2df,2p):PM6) method is able to provide reliable evaluation for the BDE(Osbnd H) in phenolic compounds. An important property of antioxidants is determined via the BDE(Osbnd H) of those compounds extracted from A. altilis. Based on the BDE(Osbnd H), compound 12 is considered as a potential antioxidant with the estimated BDE value of 77.3 kcal/mol in the gas phase.

  3. Theoretical research relating to excitation spectrum of furan. Application of integral direct coupled cluster linear response (direct CCLR) method; Furan no reiki supekutoru ni kansuru ronriteki kenkyu. Integral-direct Coupled Cluster Linear Response (direct CCLR) ho no tekiyo

    Energy Technology Data Exchange (ETDEWEB)

    Shigemitsu, Yasuhiro. [Nagasaki Industrial Technology Center, Nagasaki (Japan)

    1999-07-01

    heoretical researches relating to excitation spectrum of furan have been carried out for many years, and they reveal the problems that should be solved in order to predict highly reliable excitation energy. In general, it is difficult to uniformly obtain highly reliable calculation results for all excitation states since different excitation states show different electronic correlative effects. Means for obtaining the electron states in ground state and excited state and calculating the energy difference thereof is the mainstream of the theoretical calculation of the excitation energy. CASSCF/CASPT 2 developed by Roos et al. is a typical method excellent in quantitative description. Recently, the comparison between direct CCLR and CASSCF/CASPT 2 as examples for calculating the excitation spectrum of furan was carried out by using the same ground function. For Rydberg excitation, CC3, CAS, CASPT 2 show good agreement with each other. (NEDO)

  4. Quantum dynamic imaging theoretical and numerical methods

    CERN Document Server

    Ivanov, Misha

    2011-01-01

    Studying and using light or "photons" to image and then to control and transmit molecular information is among the most challenging and significant research fields to emerge in recent years. One of the fastest growing areas involves research in the temporal imaging of quantum phenomena, ranging from molecular dynamics in the femto (10-15s) time regime for atomic motion to the atto (10-18s) time scale of electron motion. In fact, the attosecond "revolution" is now recognized as one of the most important recent breakthroughs and innovations in the science of the 21st century. A major participant in the development of ultrafast femto and attosecond temporal imaging of molecular quantum phenomena has been theory and numerical simulation of the nonlinear, non-perturbative response of atoms and molecules to ultrashort laser pulses. Therefore, imaging quantum dynamics is a new frontier of science requiring advanced mathematical approaches for analyzing and solving spatial and temporal multidimensional partial differ...

  5. Applied mathematical methods in theoretical physics

    National Research Council Canada - National Science Library

    Masujima, Michio

    2005-01-01

    ... . . . . . . . . . . . . . . . . . 1.8 ReviewofComplexAnalysis ... 1.9 ReviewofFourierTransform ... 5 5 7 8 11 12 15 16 21 28 2 Integral Equations and Green's Functions 2.1 Introduction to Integral...

  6. Decision-Theoretic Methods in Simulation Optimization

    Science.gov (United States)

    2014-09-24

    freely available, and is also being considered for use by Netflix . • [Scott et al., 2011] provides an easily computed approximation to the knowledge...Area, such as Netflix . It has received a great deal of attention from the com- munity, and is already quite popular on the open-source software

  7. Theoretical Chemistry Symposium 2006

    Indian Academy of Sciences (India)

    WINTEC

    This special issue of the Journal of Chemical Sciences contains 29 original papers presented at the Theoretical Chemistry Symposium (TCS 2006) held at Bharathi- dasan University during December 11–13, 2006. Earlier meetings on this theme were organized in various parts of the country viz. Chandigarh (1986), IIT ...

  8. 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...... complexity of learning logic programs and avoiding coding tricks by hyperrobust learning....

  9. Riemann and Theoretical Physics

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 11; Issue 11. Riemann and Theoretical Physics. Joseph Samuel. General Article Volume 11 Issue 11 November 2006 pp 56-60. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/011/11/0056-0060. Keywords.

  10. 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.

  11. 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

  12. 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.

  13. 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...

  14. 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.)

  15. 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 ...

  16. 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...

  17. 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.

  18. 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

  19. 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

  20. 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.)

  1. 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.

  2. 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.

  3. Understanding Theoretical Uncertainties in Perturbative QCD Computations

    DEFF Research Database (Denmark)

    Jenniches, Laura Katharina

    Abstract To compare theoretical predictions and experimental results, we require not only a precise knowledge of the observables themselves, but also a good understanding of the uncertainty introduced by missing higher orders in perturbative QCD. In this work, we present a method which combines....... The second project focuses on theoretical uncertainties in perturbative QCD. We perform a study of theoretical uncertainties obtained using the traditional scale-variation and the Cacciari-Houdeau approach [1], which uses Bayesian statistics to estimate missing-higher-order uncertainties. In addition, we...

  4. Theoretical Framework for Interaction Game Design

    Science.gov (United States)

    2016-05-19

    behavior. We investigated a method for estimating the degree of concentration based on the physiological indices during VR exercise games . Also, in order...AFRL-AFOSR-JP-TR-2016-0069 Theoretical Framework for Interaction Game Design Toyoaki Nishida KYOTO UNIVERSITY GRADUATE SCHOOL Final Report 05/19/2016...DATES COVERED (From - To) 14 May 2014 to 13 May 2017 4. TITLE AND SUBTITLE Theoretical Framework for Interaction Game Design 5a.  CONTRACT NUMBER 5b

  5. 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. 

  6. 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...

  7. Institute for Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

    Giddings, S.B.; Ooguri, H.; Peet, A.W.; Schwarz, J.H.

    1998-06-01

    String theory is the only serious candidate for a unified description of all known fundamental particles and interactions, including gravity, in a single theoretical framework. Over the past two years, activity in this subject has grown rapidly, thanks to dramatic advances in understanding the dynamics of supersymmetric field theories and string theories. The cornerstone of these new developments is the discovery of duality which relates apparently different string theories and transforms difficult strongly coupled problems of one theory into weakly coupled problems of another theory.

  8. 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

  9. 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

  10. 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

  11. 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.)

  12. 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

  13. 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

  14. 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.

  15. 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.

  16. Theoretical Characterizaiton of Visual Signatures

    Science.gov (United States)

    Kashinski, D. O.; Chase, G. M.; di Nallo, O. E.; Scales, A. N.; Vanderley, D. L.; Byrd, E. F. C.

    2015-05-01

    We are investigating the accuracy of theoretical models used to predict the visible, ultraviolet, and infrared spectra, as well as other properties, of product materials ejected from the muzzle of currently fielded systems. Recent advances in solid propellants has made the management of muzzle signature (flash) a principle issue in weapons development across the calibers. A priori prediction of the electromagnetic spectra of formulations will allow researchers to tailor blends that yield desired signatures and determine spectrographic detection ranges. Quantum chemistry methods at various levels of sophistication have been employed to optimize molecular geometries, compute unscaled vibrational frequencies, and determine the optical spectra of specific gas-phase species. Electronic excitations are being computed using Time Dependent Density Functional Theory (TD-DFT). A full statistical analysis and reliability assessment of computational results is currently underway. A comparison of theoretical results to experimental values found in the literature is used to assess any affects of functional choice and basis set on calculation accuracy. The status of this work will be presented at the conference. Work supported by the ARL, DoD HPCMP, and USMA.

  17. 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...

  18. 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...

  19. Theoretical Particle Astrophysics

    Energy Technology Data Exchange (ETDEWEB)

    Kamionkowski, Marc [Johns Hopkins Univ., Baltimore, MD (United States)

    2013-08-07

    Abstract: Theoretical Particle Astrophysics. The research carried out under this grant encompassed work on the early Universe, dark matter, and dark energy. We developed CMB probes for primordial baryon inhomogeneities, primordial non-Gaussianity, cosmic birefringence, gravitational lensing by density perturbations and gravitational waves, and departures from statistical isotropy. We studied the detectability of wiggles in the inflation potential in string-inspired inflation models. We studied novel dark-matter candidates and their phenomenology. This work helped advance the DoE's Cosmic Frontier (and also Energy and Intensity Frontiers) by finding synergies between a variety of different experimental efforts, by developing new searches, science targets, and analyses for existing/forthcoming experiments, and by generating ideas for new next-generation experiments.

  20. 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.

  1. 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.

  2. Theoretical motions of hydrofoil systems

    Science.gov (United States)

    Imlay, Frederick H

    1948-01-01

    Results are presented of an investigation that has been undertaken to develop theoretical methods of treating the motions of hydrofoil systems and to determine some of the important parameters. Variations of parameters include three distributions of area between the hydrofoils, two rates of change of downwash angle with angle of attack, three depths of immersion, two dihedral angles, two rates of change of lift with immersion, three longitudinal hydrofoil spacings, two radii of gyration in pitching, and various horizontal and vertical locations of the center of gravity. Graphs are presented to show locations of the center of gravity for stable motion, values of the stability roots, and motions following the sudden application of a vertical force or a pitching moment to the hydrofoil system for numerous sets of values of the parameters.

  3. 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...

  4. Modeling scientific: some theoretical and methodological considerations

    Directory of Open Access Journals (Sweden)

    Carlos Tamayo-Roca

    2017-04-01

    Full Text Available At present widespread use of models as an auxiliary system to penetrate the essence of phenomena related to all areas of cognitive and transforming activity of man, covering as diverse as human sciences fields. In the field of education use it is becoming more common as essential to transform school practice and enrich their theoretical instrument bitter day. The paper deals with the development of theoretical modeling as a scientific method to advance the process to be transformed and characterized by establishing relationships and links between the structural components that comprise it. In this regard it is proposed as an objective socialize some theoretical and methodological considerations that favor the use of modeling method in the scientific research activity of teachers.

  5. 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

  6. Theoretical molecular structure, vibrational frequencies and NMR ...

    African Journals Online (AJOL)

    Theoretical results have been successfully compared with available experimental data in the literature. Regarding the calculations, 2mpe-4bb prefers enol-imine form and DFT method is superior to HF approach except for predicting bond lengths. KEY WORDS: Schiff bases, Normal mode frequencies, HF, DFT, NMR. Bull.

  7. Understanding the Ensemble Pianist: A Theoretical Framework

    Science.gov (United States)

    Kokotsaki, Dimitra

    2007-01-01

    The aim of this study was to develop a theoretical model of the attainment of high quality in musical ensemble performance as perceived by the pianist and to identify the factors affecting this process. The research has followed an inductive interpretative approach, applying qualitative methods. The analytic material was collected through the…

  8. A Place for Theoretical Inconsistency

    Directory of Open Access Journals (Sweden)

    Janet Newbury PhD Candidate

    2011-12-01

    Full Text Available The current article articulates how the expectation of theoretical consistency can be constraining for qualitative researchers. The author considers the origins of the tradition of theoretical consistency, and suggests that postmodern research - particularly that which focuses on social justice - might in fact be served by considering possibilities that emerge from multiple theoretical perspectives. To illustrate the application and contribution of theoretical inconsistency, three concrete examples of how these ideas have been applied within qualitative studies are discussed. By pragmatically drawing connections across theoretical differences, it is hoped that researchers will engage critically with their own theoretical commitments and assumptions, thus opening themselves up to new possibilities and to new and creative ways of coming together.

  9. 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.

  10. 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.

  11. Theoretically Optimal Distributed Anomaly Detection

    Data.gov (United States)

    National Aeronautics and Space Administration — A novel general framework for distributed anomaly detection with theoretical performance guarantees is proposed. Our algorithmic approach combines existing anomaly...

  12. 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.

  13. A Set Theoretical Approach to Maturity Models

    DEFF Research Database (Denmark)

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

    2016-01-01

    of it application on a social media maturity data-set. Specifically, we employ Necessary Condition Analysis (NCA) to identify maturity stage boundaries as necessary conditions and Qualitative Comparative Analysis (QCA) to arrive at multiple configurations that can be equally effective in progressing to higher......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...... 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...

  14. Research in theoretical physics

    International Nuclear Information System (INIS)

    Domokos, G.; Kovesi-Domokos, S.

    1992-12-01

    Progress made in the following areas is summarized: simulation of extensive air showers induced by interactions existing beyond the currently accepted ''Standard Model'' of elementary particle interactions; search for physics beyond the ''Standard Model'' in gluonic inclusive decays of heavy quarks; obtaining limits on the applicability of the special theory of relativity; an improved method of obtaining upper limits on the masses of primaries of extensive air showers associated with point sources in the sky. 8 figs., 1 tab., 73 refs

  15. Statistical and theoretical research

    International Nuclear Information System (INIS)

    Anon.

    1983-01-01

    Significant accomplishments include the creation of field designs to detect population impacts, new census procedures for small mammals, and methods for designing studies to determine where and how much of a contaminant is extent over certain landscapes. A book describing these statistical methods is currently being written and will apply to a variety of environmental contaminants, including radionuclides. PNL scientists also have devised an analytical method for predicting the success of field eexperiments on wild populations. Two highlights of current research are the discoveries that population of free-roaming horse herds can double in four years and that grizzly bear populations may be substantially smaller than once thought. As stray horses become a public nuisance at DOE and other large Federal sites, it is important to determine their number. Similar statistical theory can be readily applied to other situations where wild animals are a problem of concern to other government agencies. Another book, on statistical aspects of radionuclide studies, is written specifically for researchers in radioecology

  16. 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.

  17. Towards A Theoretical Biology: Reminiscences

    Indian Academy of Sciences (India)

    In 1967 I had decided to broaden my activities beyond the theoretical physics I had been engaged in since the start of my career at the University of Chicago. Theoretical biology was among the possibilities I was considering, though I then had no deep understanding of what it was and what it might become. Jack Cowan, a ...

  18. 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.

  19. 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...

  20. Charm physics: theoretical review

    International Nuclear Information System (INIS)

    Petrov, Alexey A.

    2003-01-01

    Charm physics plays a unique dual role in the modern investigation of flavor physics. Charm decay and production experiments provide valuable checks and supporting measurements for studies of CP-violation in measurements of CKM parameters in b-physics, as well as outstanding opportunities for searches for new physics. Historically, many methods of heavy quark physics have been first tested in charmed hadrons. The fact that a b-quark mainly decays into a charm quark makes charm physics an integral part of any b-physics program. In many cases direct measurements of charm decay parameters directly affect the studies of fundamental physics in B decays. This year brought several interesting developments in some seemingly well-understood sectors of charm physics, such as meson spectroscopy. We review recent developments in charm physics, focusing on the physics of charmed mesons. We discuss charm spectroscopy, decay constants and transition form factors, as well as searches for new physics with charmed mesons. We discuss D 0 D 0 -bar mixing and CP-violation in charm decays. (author)

  1. Theoretical Plasma Physics

    Energy Technology Data Exchange (ETDEWEB)

    Vahala, George M. [College of William and Mary, Williamsburg, VA (United States)

    2013-12-31

    Lattice Boltzmann algorithms are a mesoscopic method to solve problems in nonlinear physics which are highly parallelized – unlike the direction solution of the original problem. These methods are applied to both fluid and magnetohydrodynamic turbulence. By introducing entropic constraints one can enforce the positive definiteness of the distribution functions and so be able to simulate fluids at high Reynolds numbers without numerical instabilities. By introducing a vector distribution function for the magnetic field one can enforce the divergence free condition on the magnetic field automatically, without the need of divergence cleaning as needed in most direct numerical solutions of the resistive magnetohydrodynamic equations. The principal reason for the high parallelization of lattice Boltzmann codes is that they consist of a kinetic collisional relaxation step (which is purely local) followed by a simple shift of the relaxed data to neighboring lattice sites. In large eddy simulations, the closure schemes are highly nonlocal – the most famous of these schemes is that due to Smagorinsky. Under a lattice Boltzmann representation the Smagorinsky closure is purely local – being simply a particular moment on the perturbed distribution fucntions. After nonlocal fluid moment models were discovered to represent Landau damping, it was found possible to model these fluid models using an appropriate lattice Boltzmann algorithm. The close to ideal parallelization of the lattice Boltzmann codes permitted us to be Gordon Bell finalists on using the Earth Simulation in Japan. We have also been involved in the radio frequency propagation of waves into a tokamak and into a spherical overdense tokamak plasma. Initially we investigated the use of a quasi-optical grill for the launching of lower hybrid waves into a tokamak. It was found that the conducting walls do not prevent the rods from being properly irradiated, the overloading of the quasi-optical grill is not severe

  2. Method

    Directory of Open Access Journals (Sweden)

    Ling Fiona W.M.

    2017-01-01

    Full Text Available Rapid prototyping of microchannel gain lots of attention from researchers along with the rapid development of microfluidic technology. The conventional methods carried few disadvantages such as high cost, time consuming, required high operating pressure and temperature and involve expertise in operating the equipment. In this work, new method adapting xurography method is introduced to replace the conventional method of fabrication of microchannels. The novelty in this study is replacing the adhesion film with clear plastic film which was used to cut the design of the microchannel as the material is more suitable for fabricating more complex microchannel design. The microchannel was then mold using polymethyldisiloxane (PDMS and bonded with a clean glass to produce a close microchannel. The microchannel produced had a clean edge indicating good master mold was produced using the cutting plotter and the bonding between the PDMS and glass was good where no leakage was observed. The materials used in this method is cheap and the total time consumed is less than 5 hours where this method is suitable for rapid prototyping of microchannel.

  3. Theoretical study of diaquamalonatozinc (II) single crystal for ...

    Indian Academy of Sciences (India)

    The aim of the present paper is to employ theoretical methods to investigate the zero field splitting (ZFS) parameter and to investigate the position of the dopant in the host. These theoretical calculations have been compared with the empirical results. The superposition model (SPM)with themicroscopic spin-Hamiltonian ...

  4. QTIPs: Questionable theoretical and interpretive practices in social psychology.

    Science.gov (United States)

    Brandt, Mark J; Proulx, Travis

    2015-01-01

    One possible consequence of ideological homogeneity is the misinterpretation of data collected with otherwise solid methods. To help identify these issues outside of politically relevant research, we name and give broad descriptions to three questionable interpretive practices described by Duarte et al. and introduce three additional questionable theoretical practices that also reduce the theoretical power and paradigmatic scope of psychology.

  5. 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

  6. Theoretical Foundations of Learning Communities

    Science.gov (United States)

    Jessup-Anger, Jody E.

    2015-01-01

    This chapter describes the historical and contemporary theoretical underpinnings of learning communities and argues that there is a need for more complex models in conceptualizing and assessing their effectiveness.

  7. 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...

  8. 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.

  9. LABOR RELATIONS. THEORETICAL AND METHODOLOGICAL ASPECTS

    Directory of Open Access Journals (Sweden)

    ION GLODEANU

    2014-12-01

    Full Text Available The field of labor and employment relations in industrial environments is very complex. Moreover, it is the subject of transforming complex processes. From this perspective, the study aims to present some theoretical and methodological aspects of research and analysis of enterprise as social space of labor, of relationships between employees and employers, superiors and subordinates, labor groups, employer organizations and trade unions. It also suggests possible research methods and techniques of this field defining labor market

  10. method

    Directory of Open Access Journals (Sweden)

    L. M. Kimball

    2002-01-01

    Full Text Available This paper presents an interior point algorithm to solve the multiperiod hydrothermal economic dispatch (HTED. The multiperiod HTED is a large scale nonlinear programming problem. Various optimization methods have been applied to the multiperiod HTED, but most neglect important network characteristics or require decomposition into thermal and hydro subproblems. The algorithm described here exploits the special bordered block diagonal structure and sparsity of the Newton system for the first order necessary conditions to result in a fast efficient algorithm that can account for all network aspects. Applying this new algorithm challenges a conventional method for the use of available hydro resources known as the peak shaving heuristic.

  11. Theoretical versus pragmatic design in qualitative research.

    Science.gov (United States)

    Smith, Joanna; Bekker, Hilary; Cheater, Francine

    2011-01-01

    For many years, discussions of the relative merits of generic and theoretical approaches to qualitative research have divided researchers while overshadowing the need to focus on addressing clinical questions. Drawing on the challenges of designing a study that explored parents' experiences of living with children with hydrocephalus, the authors of this paper argue that over-adherence to, and deliberations about, the philosophical origins of qualitative methods is undermining the contributions qualitative research could make to evidence-based health care and suggest qualitative methods should stand alone.

  12. 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)

  13. 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)

  14. 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)

  15. Experimental and Theoretical Study of Microwave-Active Materials

    National Research Council Canada - National Science Library

    Mei, Wai-Ning

    2001-01-01

    .... The results to date indicate the SCAD method produces accurate physical parameters. They are also using thin-film techniques to fabricate metastable materials predicted by the theoretical calculations to have useful or interesting properties.

  16. 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

  17. Theoretical Issues of Cluster Pattern Interfaces

    Science.gov (United States)

    Barneva, Reneta P.; Brimkov, Valentin E.; Kanev, Kamen K.

    Since the 80s, when the computer mouse was first invented, point-and-click functionality became widely adopted, in particular, for work with images and GUIs. It would be useful to provide such functionality for printed materials, as well. A direct point-and-click functionality should not require tablet-like devices, but should rather use an embedded marking which defines a coordinate system within the image. An original approach and related technology for direct interface, known as Cluster Pattern Interface (CLUSPI), was proposed [12]. It is based on an unobtrusive layer of the image defining a coordinate system, a camera-based pointing device, and decoding software. CLUSPI technology was invented and patented by one of the authors of this paper. Here we present the theoretical (mathematical) foundations of the methods developed. We also describe some theoretical challenges and propose solutions to them.

  18. Topics in modern physics theoretical foundations

    CERN Document Server

    Walecka, John Dirk

    2013-01-01

    While the two previous books entitled Introduction to Modern Physics: Theoretical Foundations and Advanced Modern Physics: Theoretical Foundations exposed the reader to the foundations and frontiers of today's physics, the goal of this third volume is to cover in some detail several topics omitted in the essentially linear progression of the first two. This book is divided into three parts. Part 1 is on quantum mechanics. Analytic solutions to the Schrödinger equation are developed for some basic systems. The analysis is then formalized, concluding with a set of postulates for the theory. Part 2 is on applications of quantum mechanics: approximation methods for bound states, scattering theory, time-dependent perturbation theory, and electromagnetic radiation and quantum electrodynamics. Part 3 covers some selected topics in relativistic quantum field theory: discrete symmetries, the Heisenberg picture, and the Feynman rules for quantum chromodynamics. The three volumes in this series taken together provide ...

  19. 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

  20. Theoretical chemistry advances and perspectives

    CERN Document Server

    Eyring, Henry

    1977-01-01

    Theoretical Chemistry: Advances and Perspectives, Volume 2 covers all aspects of theoretical chemistry.This book reviews the techniques that have been proven successful in the study of interatomic potentials in order to describe the interactions between complex molecules. The ground state properties of the interacting electron gas when a magnetic field is present are also elaborated, followed by a discussion on the Gellman-Brueckner-Macke theory of the correlation energy that has applications in atomic and molecular systems.This volume considers the instability of the Hartree-Fock ground state

  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 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

  3. Teaching Theoretical Criminology to Undergraduates.

    Science.gov (United States)

    Williams, James L.; And Others

    1995-01-01

    Maintains that U.S. society's emphasis on individuality and pragmatism renders theoretical study of criminal deviance difficult for many students. Presents a structured approach to this problem that includes an emphasis on practical applications, comparative analysis, analytical skills, and the substantive content of theories. Describes teaching…

  4. Refresher Course in Theoretical Physics

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 7. Refresher Course in Theoretical Physics. Information and Announcements Volume 6 Issue 7 July 2001 pp 99-99. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/006/07/0099-0099. Resonance ...

  5. 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

  6. THEORETICAL INVESTIGATION OF STRESSES DISTRIBUTIONS ...

    African Journals Online (AJOL)

    The relationship between cavity size and number on one hand and combinations of web thicknesses were investigated theoretically. The least number of cavities was 4 for end-web to centre web ratio of 1:2 at constant shell thickness with the least web thickness equal to 12.5mm. The effects of the number of cavities and ...

  7. Theoretical Framework. The Bartlesville System.

    Science.gov (United States)

    Roberts, Tommy L.; And Others

    The theoretical framework underlying the Total Guidance Information Support System is discussed under the following topics: (1) Review of Literature, (2) A Brief History of Guidance and Counseling, (3) Philosophies of Guidance, (4) Decision-Making in Relation to Guidance, (5) The Origins of Information Theory, (6) Various Uses of Information…

  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. 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)

  10. Theoretical Linguistics And Multilingualism Research

    African Journals Online (AJOL)

    KATEVG

    Abstract. 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 ...

  11. Theoretical Issues in Environmental Psychology

    Science.gov (United States)

    Proshansky, Harold M.

    1974-01-01

    Author addressed a central task in the development of an interdisciplinary field of inquiry into manenvironment relations: namely, theory development. He decried the lack of comprehensive theoretical reasoning that has characterized environmental research and suggested directions for expanded conceptual work. (Editor/RK)

  12. Theoretical Considerations of Peer Tutoring.

    Science.gov (United States)

    Cohen, Jiska

    1986-01-01

    Addresses the need for a theoretical analysis of the peer tutoring process by discussing: definitions of the process, the psychological and educational processes in peer tutoring as a learning and teaching experience, and the conceptualization of peer tutoring as a cooperative social system and a group reward structure. (Author/ABB)

  13. 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)

  14. Comparative Study on Theoretical and Machine Learning Methods for Acquiring Compressed Liquid Densities of 1,1,1,2,3,3,3-Heptafluoropropane (R227ea via Song and Mason Equation, Support Vector Machine, and Artificial Neural Networks

    Directory of Open Access Journals (Sweden)

    Hao Li

    2016-01-01

    Full Text Available 1,1,1,2,3,3,3-Heptafluoropropane (R227ea is a good refrigerant that reduces greenhouse effects and ozone depletion. In practical applications, we usually have to know the compressed liquid densities at different temperatures and pressures. However, the measurement requires a series of complex apparatus and operations, wasting too much manpower and resources. To solve these problems, here, Song and Mason equation, support vector machine (SVM, and artificial neural networks (ANNs were used to develop theoretical and machine learning models, respectively, in order to predict the compressed liquid densities of R227ea with only the inputs of temperatures and pressures. Results show that compared with the Song and Mason equation, appropriate machine learning models trained with precise experimental samples have better predicted results, with lower root mean square errors (RMSEs (e.g., the RMSE of the SVM trained with data provided by Fedele et al. [1] is 0.11, while the RMSE of the Song and Mason equation is 196.26. Compared to advanced conventional measurements, knowledge-based machine learning models are proved to be more time-saving and user-friendly.

  15. Theoretical physics 3. Quantum mechanics 1

    International Nuclear Information System (INIS)

    Dreizler, R.M.; Luedde, C.S.

    2008-01-01

    The basic course Theoretical Physics in 5 closed volumes is based on long standing approved courses, in which the preparation of the theoretically physical foundations are in closed form connected with the corresponding matter from mathematics. Interactive web-based problems in html with Applets help the studying in the deepening of the matter: 1 Theoretical Mechanics 2 Electrodynamics and Relativity Theory 3 Quantum Mechanics I 4 Quantum Mechanics II 5 Thermodynamics and Statistical Physics. In this volume the required foundations of quantum mechanics are worked out. Introducting themes are: Fundamental experiments on quantum mechanics, simple quantization methods, matter waves. With the establishment of the Schroedinger equation and the introduction of the operator calculus the way to the first fundamental iece, the discussion and the solution of the Schroedinger equation for one-particle systems is open. The examples discussed there serve as illustrating material for the elaboration of the formal representation theory of quantum mechanics. The theme regions round this introduction to quantum mechanics off: Perturbation theory, spin and angular-momentum questions, and a first view on many-particle problems by means of Coulomb systems like atoms, molecules, and solids [de

  16. The impact of cloud vertical profile on liquid water path retrieval based on the bispectral method: A theoretical study based on large-eddy simulations of shallow marine boundary layer clouds.

    Science.gov (United States)

    Miller, Daniel J; Zhang, Zhibo; Ackerman, Andrew S; Platnick, Steven; Baum, Bryan A

    2016-04-27

    Passive optical retrievals of cloud liquid water path (LWP), like those implemented for Moderate Resolution Imaging Spectroradiometer (MODIS), rely on cloud vertical profile assumptions to relate optical thickness ( τ ) and effective radius ( r e ) retrievals to LWP. These techniques typically assume that shallow clouds are vertically homogeneous; however, an adiabatic cloud model is plausibly more realistic for shallow marine boundary layer cloud regimes. In this study a satellite retrieval simulator is used to perform MODIS-like satellite retrievals, which in turn are compared directly to the large-eddy simulation (LES) output. This satellite simulator creates a framework for rigorous quantification of the impact that vertical profile features have on LWP retrievals, and it accomplishes this while also avoiding sources of bias present in previous observational studies. The cloud vertical profiles from the LES are often more complex than either of the two standard assumptions, and the favored assumption was found to be sensitive to cloud regime (cumuliform/stratiform). Confirming previous studies, drizzle and cloud top entrainment of dry air are identified as physical features that bias LWP retrievals away from adiabatic and toward homogeneous assumptions. The mean bias induced by drizzle-influenced profiles was shown to be on the order of 5-10 g/m 2 . In contrast, the influence of cloud top entrainment was found to be smaller by about a factor of 2. A theoretical framework is developed to explain variability in LWP retrievals by introducing modifications to the adiabatic r e profile. In addition to analyzing bispectral retrievals, we also compare results with the vertical profile sensitivity of passive polarimetric retrieval techniques.

  17. THE THEORETICAL APPROACH OF LIVELIHOODS DIVERSIFICATION

    Directory of Open Access Journals (Sweden)

    Miguel Angelo Perondi

    2012-07-01

    Full Text Available This article present the diversification livelihoods approach as a method to study of alternative life in rural areas, an analytical tool that also provides a way to monitor and evaluate the performance of rural development public policies. Initially the article tries to recover the original livelihood approach, describe the adjectives trajectory that accompany their concept and, based on the benchmarks used by some its main authors, the research shows the theoretical status of livelihoods approach and it potential to contribute with the Brazilian world rural studies.

  18. 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.

  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 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...

  1. 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.

  2. Theoretical perspectives of enterprise architecture

    OpenAIRE

    Syynimaa, Nestori

    2013-01-01

    The number of published Enterprise Architecture (EA) research has increased during the last few years. As a discipline, EA is still young and lacking theoretical foundation. Lately some research trying to ground EA to theory has been published, including linkage to systems theory.\\ud Enterprise Architecture can be defined as; (i) a formal description of the current and future state(s) of an organisation, and (ii) a managed change between these states to meet organisation’s stakeholders’ goals...

  3. 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.

  4. Information and statistics: a new paradigm in theoretical nuclear physics

    International Nuclear Information System (INIS)

    Piekarewicz, J; Chen, Wei-Chia; Fattoyev, F J

    2015-01-01

    Theoretical predictions of physical observables often involve extrapolations to regions that are poorly constrained by laboratory experiments and astrophysical observations. Without properly quantified theoretical errors, such model predictions are of very limited utility. In this contribution we use maximum-likelihood estimation to compute theoretical errors and assess correlations between physical observables. We illustrate the power and elegance of these methods using examples of both pedagogical and realistic interest. In particular, we implement a Gaussian approximation to the likelihood function to develop a new relativistic effective interaction constrained by ground-state properties of finite nuclei, their monopole response, and masses of neutron stars. (paper)

  5. Development of theoretical approach to physics of nuclear molecules

    CERN Document Server

    Kim, G; Yuldashev, B S

    2002-01-01

    The present work is dedicated to the theoretical study of the exotic nuclear systems, which consist of the nuclear molecular complexes of the alpha-chain and halo nuclei. The brief review of the experimental data and the theoretical methods for the nuclear molecular system description is presented. The theoretical research plan is suggested. As the plan carried out and the results obtained, it will be possible to have the deeper understanding of mechanism formation and stability of such system as well as their static and dynamic properties. The possibilities of the unique facilities creation on the basis of nuclear molecular materials of the future are considered. (author)

  6. Hypermedia as an experiential learning tool: a theoretical model

    OpenAIRE

    Jose Miguel Baptista Nunes; Susan P. Fowell

    1996-01-01

    The process of methodical design and development is of extreme importance in the production of educational software. However, this process will only be effective, if it is based on a theoretical model that explicitly defines what educational approach is being used and how specific features of the technology can best support it. This paper proposes a theoretical model of how hypermedia can be used as an experiential learning tool. The development of the model was based on a experiential learni...

  7. Staying theoretically sensitive when conducting grounded theory research.

    Science.gov (United States)

    Reay, Gudrun; Bouchal, Shelley Raffin; A Rankin, James

    2016-09-01

    Background Grounded theory (GT) is founded on the premise that underlying social patterns can be discovered and conceptualised into theories. The method and need for theoretical sensitivity are best understood in the historical context in which GT was developed. Theoretical sensitivity entails entering the field with no preconceptions, so as to remain open to the data and the emerging theory. Investigators also read literature from other fields to understand various ways to construct theories. Aim To explore the concept of theoretical sensitivity from a classical GT perspective, and discuss the ontological and epistemological foundations of GT. Discussion Difficulties in remaining theoretically sensitive throughout research are discussed and illustrated with examples. Emergence - the idea that theory and substance will emerge from the process of comparing data - and staying open to the data are emphasised. Conclusion Understanding theoretical sensitivity as an underlying guiding principle of GT helps the researcher make sense of important concepts, such as delaying the literature review, emergence and the constant comparative method (simultaneous collection, coding and analysis of data). Implications for practice Theoretical sensitivity and adherence to the GT research method allow researchers to discover theories that can bridge the gap between theory and practice.

  8. Accurate Theoretical Description of the (1)La and (1)Lb Excited States in Acenes Using the All Order Constricted Variational Density Functional Theory Method and the Local Density Approximation.

    Science.gov (United States)

    Krykunov, Mykhaylo; Grimme, Stefan; Ziegler, Tom

    2012-11-13

    We present the results of calculations on the vertical singlet (1)La and (1)Lb excitation energies in acenes within time dependent density functional theory (TDDFT), second order constricted variational DFT (CV(2)-DFT), and all order constricted variational DFT (CV(∞)-DFT) using the local density approximation LDA(VWN). For the linear acenes it is shown that the application of the Tamm-Dancoff (TD) approximation to TDDFT (TDDFT-TD) substantially improves the agreement with experiment compared to pure TDDFT. This improvement leads to the correct ordering of the (1)La and (1)Lb excitation energies in naphthalene. As TDDFT-TD is equivalent to the second order CV(2)-TD method one might hope for further improvements by going to all orders in CV(∞)-TD. Indeed, for linear acenes the application of the CV(∞)-TD method brings the agreement with experiment to within 0.1 eV for both types of excitations using the simple LDA functional. The CV(∞)-TD method based on LDA is also shown to be accurate for 15 nonlinear acenes with root-mean-square deviations of 0.24 eV for (1)La and 0.17 eV for (1)Lb.

  9. 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.

  10. Theoretical insights into interprofessional education.

    Science.gov (United States)

    Hean, Sarah; Craddock, Deborah; Hammick, Marilyn

    2012-01-01

    This article argues for the need for theory in the practice of interprofessional education. It highlights the range of theories available to interprofessional educators and promotes the practical application of these to interprofessional learning and teaching. It summarises the AMEE Guides in Medical Education publication entitled Theoretical Insights into Interprofessional Education: AMEE Guide No. 62, where the practical application of three theories, social capital, social constructivism and a sociological perspective of interprofessional education are discussed in-depth through the lens of a case study. The key conclusions of these discussions are presented in this article.

  11. DESIGNERLY WAYS TO THEORETICAL INSIGHT

    DEFF Research Database (Denmark)

    Bang, Anne Louise; Gelting, Anne Katrine Gøtzsche; Friis, Silje Alberthe Kamille

    2014-01-01

    ’ learning process for a number of reasons, which will be discussed in the paper. The main findings indicate that visualising theory is beneficial because it applies a type of practice that the students are familiar with, and supports the construction of new knowledge, by allowing the students to express......This paper set out to investigate how design students learn from visualising theory in design education. The exploration rests on the assumption that the application of tools and techniques from design practice supports design students with an entrance to the theoretical part of the field...... information and concepts in ways that are personally meaningful to them....

  12. 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...

  13. Theoretical and computational foundations of management class simulation

    Science.gov (United States)

    Denie Gerold

    1978-01-01

    Investigations on complicated, complex, and not well-ordered systems are possible only with the aid of mathematical methods and electronic data processing. Simulation as a method of operations research is particularly suitable for this purpose. Theoretical and computational foundations of management class simulation must be integrated into the planning systems of...

  14. 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

  15. 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.

  16. Theoretical efficiency limits for thermoradiative energy conversion

    Science.gov (United States)

    Strandberg, Rune

    2015-02-01

    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/m2 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.

  17. 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. 

  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. 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 ...

  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. 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.

  2. 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...

  3. 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...

  4. DESIGNERLY WAYS TO THEORETICAL INSIGHT

    DEFF Research Database (Denmark)

    Bang, Anne Louise; Gelting, Anne Katrine Gøtzsche; Friis, Silje Alberthe Kamille

    2014-01-01

    This paper set out to investigate how design students learn from visualising theory in design education. The exploration rests on the assumption that the application of tools and techniques from design practice supports design students with an entrance to the theoretical part of the field....... The paper is based on teaching experiences from an MA course in design methodology where we use visualisation as a tool to discuss, explore and understand design theory. To throw light on the question, student evaluations and feedback has been included together with a classification of the material from one...... visualisation exercise. In addition, theories for how to understand designerly ways of knowing and constructing knowledge have been applied as tools to think with in the discussion. The educational approach where design students read, analyse, and visualise theory, appears to be beneficial to the students...

  5. 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.

  6. 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.

  7. 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...... attack costs and real costs. We show that in the information theoretic model, many well-known and commonly used hash functions such as MD5 and SHA-256 fail to be preimage resistant....

  8. 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

  9. Theoretical studies of metallic alloys

    International Nuclear Information System (INIS)

    Faulkner, J.S.; Wille, L.T.

    1991-07-01

    A new method to predict and understand the structure and phase stability of solid-solution alloys from a knowledge only of the atomic numbers of the constituent atoms is being developed. The coherent potential approximation will be used to obtain the electronic contribution to the energy and the Monte Carlo method of statistical mechanics will be used for the thermodynamic part of the calculation. An improved coherent potential approximation will be developed by combining the standard approach with the quadratic KKR (QKKR) band theory method. This will make it easier to predict the properties of alloys from first principles. The QKKR method will be developed further

  10. The Padé approximant in theoretical physics

    CERN Document Server

    Baker, George Allen

    1970-01-01

    In this book, we study theoretical and practical aspects of computing methods for mathematical modelling of nonlinear systems. A number of computing techniques are considered, such as methods of operator approximation with any given accuracy; operator interpolation techniques including a non-Lagrange interpolation; methods of system representation subject to constraints associated with concepts of causality, memory and stationarity; methods of system representation with an accuracy that is the best within a given class of models; methods of covariance matrix estimation;methods for low-rank mat

  11. Principle-theoretic approach of kondo and construction-theoretic formalism of gauge theories

    International Nuclear Information System (INIS)

    Jain, L.C.

    1986-01-01

    Einstein classified various theories in physics as principle-theories and constructive-theories. In this lecture Kondo's approach to microscopic and macroscopic phenomena is analysed for its principle theoretic pursuit as followed by construction. The fundamentals of his theory may be recalled as Tristimulus principle, Observation principle, Kawaguchi spaces, empirical information, epistemological point of view, unitarity, intrinsicality, and dimensional analysis subject to logical and geometrical achievement. On the other hand, various physicists have evolved constructive gauge theories through the phenomenological point of view, often a collective one. Their synthetic method involves fibre bundles and connections, path integrals as well as other hypothetical structures. They lead towards clarity, completeness and adaptability

  12. Research in Theoretical Particle Physics

    Energy Technology Data Exchange (ETDEWEB)

    Feldman, Hume A; Marfatia, Danny

    2014-09-24

    This document is the final report on activity supported under DOE Grant Number DE-FG02-13ER42024. The report covers the period July 15, 2013 – March 31, 2014. Faculty supported by the grant during the period were Danny Marfatia (1.0 FTE) and Hume Feldman (1% FTE). The grant partly supported University of Hawaii students, David Yaylali and Keita Fukushima, who are supervised by Jason Kumar. Both students are expected to graduate with Ph.D. degrees in 2014. Yaylali will be joining the University of Arizona theory group in Fall 2014 with a 3-year postdoctoral appointment under Keith Dienes. The group’s research covered topics subsumed under the Energy Frontier, the Intensity Frontier, and the Cosmic Frontier. Many theoretical results related to the Standard Model and models of new physics were published during the reporting period. The report contains brief project descriptions in Section 1. Sections 2 and 3 lists published and submitted work, respectively. Sections 4 and 5 summarize group activity including conferences, workshops and professional presentations.

  13. 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.

  14. M-theoretic matrix models

    Science.gov (United States)

    Grassi, Alba; Mariño, Marcos

    2015-02-01

    Some matrix models admit, on top of the usual 't Hooft expansion, an M-theory-like expansion, i.e. an expansion at large N but where the rest of the parameters are fixed, instead of scaling with N . These models, which we call M-theoretic matrix models, appear in the localization of Chern-Simons-matter theories, and also in two-dimensional statistical physics. Generically, their partition function receives non-perturbative corrections which are not captured by the 't Hooft expansion. In this paper, we discuss general aspects of these type of matrix integrals and we analyze in detail two different examples. The first one is the matrix model computing the partition function of supersymmetric Yang-Mills theory in three dimensions with one adjoint hypermultiplet and N f fundamentals, which has a conjectured M-theory dual, and which we call the N f matrix model. The second one, which we call the polymer matrix model, computes form factors of the 2d Ising model and is related to the physics of 2d polymers. In both cases we determine their exact planar limit. In the N f matrix model, the planar free energy reproduces the expected behavior of the M-theory dual. We also study their M-theory expansion by using Fermi gas techniques, and we find non-perturbative corrections to the 't Hooft expansion.

  15. 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

  16. 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.

  17. Theoretical and Semi-Empirical Methods of Designing Ribbon Unwinders.

    Science.gov (United States)

    1982-06-01

    other hand, include the effects of parameters that exist during testing but are not included in the phisical analysis. Variations in test procedures and...0297 / 191 N UNLSFIEDmos EEmmoEEImiomEE EomhEmhhEmhhhhI EhohmhmhohEEEI,mEE~hEE~EEE IfLhI L. 2 28 AL . MICROCOPY RESOLUTION TEST CHART NATIONAL BUREAU...distrbution is Lnhm d 83 06 30 046 TABLE OF CONTENTS Page 1. INTRODUCTION & SUMMARY 1 2. EXPERIMENTAL. POGRAM 2.1 Test Plan 9 2.2 Ribbon Unwinder.Assembly 9

  18. The Interval Market Model in Mathematical Finance : Game Theoretic Methods

    NARCIS (Netherlands)

    Bernhard, P.; Engwerda, J.C.; Roorda, B.; Schumacher, J.M.; Kolokoltsov, V.; Saint-Pierre, P.; Aubin, J.P.

    2013-01-01

    Toward the late 1990s, several research groups independently began developing new, related theories in mathematical finance. These theories did away with the standard stochastic geometric diffusion “Samuelson” market model (also known as the Black-Scholes model because it is used in that most famous

  19. A theoretical method for assessing disruptive computer viruses

    Science.gov (United States)

    Wu, Yingbo; Li, Pengdeng; Yang, Lu-Xing; Yang, Xiaofan; Tang, Yuan Yan

    2017-09-01

    To assess the prevalence of disruptive computer viruses in the situation that every node in a network has its own virus-related attributes, a heterogeneous epidemic model is proposed. A criterion for the global stability of the virus-free equilibrium and a criterion for the existence of a unique viral equilibrium are given, respectively. Furthermore, extensive simulation experiments are conducted, and some interesting phenomena are found from the experimental results. On this basis, some policies of suppressing disruptive viruses are recommended.

  20. The Theoretical Foundation of Reduced Basis Methods (Preprint)

    Science.gov (United States)

    2016-01-01

    Lipschitz domain, and the right side f is in H−1(D) 2. Here, a = a(x) is a scalar function which is assumed to be in L∞(D) and satisfies the ellipticity...where R= [(i−1)/n, i/n)×[0, j/n], 1≤ i , j ≤ n. Given a function a ∈A , corresponding to the Lipschitz functionϕ, and a value 1≤ i ≤ n, we let ji be...high dimensional functions . The theory we present here is far from complete and, indeed, one of the goals of the present exposition is to organize

  1. THEORETICAL STUDY (AB INITIO AND DFT METHODS) ON ...

    African Journals Online (AJOL)

    form colored chelates with ions in a pM range that is unique to the cation and the dye selected. To be useful, the .... EXPERIMENTAL were performed with the Gaussian 09 system in the framework of density utilizing .... The total energies of xylenol orange species (cationic, neutral, and anionic) were calculated in water at the ...

  2. 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.

  3. Theoretical problems in accelerator physics

    International Nuclear Information System (INIS)

    Kroll, N.M.

    1993-01-01

    This report discusses the following topics in accelerator physics: radio frequency pulse compression and power transport; computational methods for the computer analysis of microwave components; persistent wakefields associated with waveguide damping of higher order modes; and photonic band gap cavities

  4. EXPERIMENTAL AND THEORETICAL NMR STUDY OF 4-(1 ...

    African Journals Online (AJOL)

    Preferred Customer

    increased to cover various kinds of compounds, including biological, inorganic and organometallic compounds [8]. 1D and 2D hetero- and homonuclear NMR methods enable to get full assignments and structural information of organic compounds [9-11]. For the theoretical NMR investigations, the gauge including atomic ...

  5. Theoretical Justification of Regulating International Trade and the ...

    African Journals Online (AJOL)

    trade go as far as the rules under which the international trade regime is organised. The World Trade Organization (WTO) is the main regulator of international trade, and the operating rules and systems require periodic analysis and justification. Through a reflective method of analysis, the theoretical justification of the WTO ...

  6. Piezoelectricity in quasicrystals: A group-theoretical study

    Indian Academy of Sciences (India)

    Group-theoretical methods have been accepted as exact and reliable tools in studying the physical properties of crystals and quasicrystalline materials. By group representation theory, the maximum number of non-vanishing and independent second- order piezoelectric coefficients required by the seven pentagonal and ...

  7. Theoretical studies on proton transfer reaction of 3 (5)-substituted ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 126; Issue 1. Theoretical studies on proton transfer reaction of 3(5)-substituted pyrazoles ... Abstract. The inter and intra molecular proton transfer reactions of a series of pyrazole derivatives have been studied by using density functional theory (DFT) andMP2 methods ...

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

    African Journals Online (AJOL)

    Corruption has had severe negative consequences on the economic growth and development of Nigeria. This paper presents a review of corruption as it relates to the economic development of Nigeria. By using a theoretical method of analysis, the study reveals that corruption has been a deterrent to economic ...

  9. Theoretical study and numerical simulation of secondary flow in channels

    Energy Technology Data Exchange (ETDEWEB)

    Fort, J.; Halama, J.; Hrusova, M.; Kozel, K. [Technical Univ. Prague (Czech Republic). Dept. of Technical Mathematics; Skvor, M. [Ceska Akademie Ved, Prague (Czech Republic). Inst. of Thermomechanics

    1999-12-01

    Presented work deals with flow in a 3D curved channel of constant curvature and constant rectangular cross-section. Properties of typical secondary flow structures are theoretically studied. Some cases of subsonic flow were simulated numerically by two different finite volume methods. Numerical results are compared with experimental data. (orig.)

  10. Theoretical study and numerical simulation of secondary flow in channels

    Energy Technology Data Exchange (ETDEWEB)

    Fort, J.; Halama, J.; Hrusova, M.; Kozel, K. (Technical Univ. Prague (Czech Republic). Dept. of Technical Mathematics); Skvor, M. (Ceska Akademie Ved, Prague (Czech Republic). Inst. of Thermomechanics)

    1999-01-01

    Presented work deals with flow in a 3D curved channel of constant curvature and constant rectangular cross-section. Properties of typical secondary flow structures are theoretically studied. Some cases of subsonic flow were simulated numerically by two different finite volume methods. Numerical results are compared with experimental data. (orig.)

  11. Synthesis, experimental and theoretical studies of two cocrystals in 1 ...

    Indian Academy of Sciences (India)

    Abstract. This paper reports synthesis, characterization and theoretical studies of two 1:1 stoichiometric ratio cocrystals of 4,4'-bithiazole-2,2'-diamine (DABTZ) with 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) and 1,3-bis(4-pyridyl)ethane (bpa). These cocrystal compounds have been prepared by slow evaporation method and ...

  12. Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives

    Czech Academy of Sciences Publication Activity Database

    Rokob, Tibor András; Srnec, Martin; Rulíšek, Lubomír

    2012-01-01

    Roč. 41, č. 19 (2012), s. 5754-5768 ISSN 1477-9226 Institutional research plan: CEZ:AV0Z40550506 Keywords : DFT methods * theoretical spectroscopy * bioinorganic chemistry * physico-chemical properties * QM/MM calculations * wave-function methods Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.806, year: 2012

  13. Sieve methods

    CERN Document Server

    Halberstam, Heine

    2011-01-01

    Derived from the techniques of analytic number theory, sieve theory employs methods from mathematical analysis to solve number-theoretical problems. This text by a noted pair of experts is regarded as the definitive work on the subject. It formulates the general sieve problem, explores the theoretical background, and illustrates significant applications.""For years to come, Sieve Methods will be vital to those seeking to work in the subject, and also to those seeking to make applications,"" noted prominent mathematician Hugh Montgomery in his review of this volume for the Bulletin of the Ameri

  14. Use of theoretical and conceptual frameworks in qualitative research.

    Science.gov (United States)

    Green, Helen Elise

    2014-07-01

    To debate the definition and use of theoretical and conceptual frameworks in qualitative research. There is a paucity of literature to help the novice researcher to understand what theoretical and conceptual frameworks are and how they should be used. This paper acknowledges the interchangeable usage of these terms and researchers' confusion about the differences between the two. It discusses how researchers have used theoretical and conceptual frameworks and the notion of conceptual models. Detail is given about how one researcher incorporated a conceptual framework throughout a research project, the purpose for doing so and how this led to a resultant conceptual model. Concepts from Abbott (1988) and Witz ( 1992 ) were used to provide a framework for research involving two case study sites. The framework was used to determine research questions and give direction to interviews and discussions to focus the research. Some research methods do not overtly use a theoretical framework or conceptual framework in their design, but this is implicit and underpins the method design, for example in grounded theory. Other qualitative methods use one or the other to frame the design of a research project or to explain the outcomes. An example is given of how a conceptual framework was used throughout a research project. Theoretical and conceptual frameworks are terms that are regularly used in research but rarely explained. Textbooks should discuss what they are and how they can be used, so novice researchers understand how they can help with research design. Theoretical and conceptual frameworks need to be more clearly understood by researchers and correct terminology used to ensure clarity for novice researchers.

  15. Information-Theoretic Inference of Large Transcriptional Regulatory Networks

    Directory of Open Access Journals (Sweden)

    Meyer Patrick

    2007-01-01

    Full Text Available The paper presents MRNET, an original method for inferring genetic networks from microarray data. The method is based on maximum relevance/minimum redundancy (MRMR, an effective information-theoretic technique for feature selection in supervised learning. The MRMR principle consists in selecting among the least redundant variables the ones that have the highest mutual information with the target. MRNET extends this feature selection principle to networks in order to infer gene-dependence relationships from microarray data. The paper assesses MRNET by benchmarking it against RELNET, CLR, and ARACNE, three state-of-the-art information-theoretic methods for large (up to several thousands of genes network inference. Experimental results on thirty synthetically generated microarray datasets show that MRNET is competitive with these methods.

  16. Information-Theoretic Inference of Large Transcriptional Regulatory Networks

    Directory of Open Access Journals (Sweden)

    Patrick E. Meyer

    2007-06-01

    Full Text Available The paper presents MRNET, an original method for inferring genetic networks from microarray data. The method is based on maximum relevance/minimum redundancy (MRMR, an effective information-theoretic technique for feature selection in supervised learning. The MRMR principle consists in selecting among the least redundant variables the ones that have the highest mutual information with the target. MRNET extends this feature selection principle to networks in order to infer gene-dependence relationships from microarray data. The paper assesses MRNET by benchmarking it against RELNET, CLR, and ARACNE, three state-of-the-art information-theoretic methods for large (up to several thousands of genes network inference. Experimental results on thirty synthetically generated microarray datasets show that MRNET is competitive with these methods.

  17. Slow dynamics at critical points: the field-theoretical perspective

    International Nuclear Information System (INIS)

    Gambassi, Andrea

    2006-01-01

    The dynamics at a critical point provides a simple instance of slow collective evolution, characterised by aging phenomena and by a violation of the fluctuation-dissipation relation even for long times. By virtue of the universality in critical phenomena it is possible to provide quantitative predictions for some aspects of these behaviours by field-theoretical methods. We review some of the theoretical results that have been obtained in recent years for the relevant (universal) quantities, such as the fluctuation-dissipation ratio, associated with the non-equilibrium critical dynamics

  18. Diffusion in liquids a theoretical and experimental study

    CERN Document Server

    Tyrrell, H J V

    1984-01-01

    Diffusion in Liquids: A Theoretical and Experimental Study aims to discuss the principles, applications, and advances in the field of diffusion, thermal diffusion, and thermal conduction in liquid systems. The book covers topics such as the principles of non-equilibrium thermodynamics; diffusion in binary and multicompetent systems; and experimental methods of studying diffusion processes in liquids. Also covered in the book are topics such as the theoretical interpretations of diffusion coefficients; hydrodynamic and kinetic theories; and diffusion in electrolyte systems. The text is recommen

  19. Theoretical interpretation of medium energy nucleon nucleus inelastic scattering

    International Nuclear Information System (INIS)

    Lagrange, Christian

    1970-06-01

    A theoretical study is made of the medium energy nucleon-nucleus inelastic scattering (direct interaction), by applying the distorted wave Born approximation such as can be deduced from the paired equation method. It is applied to the interpretation of the inelastic scattering of 12 MeV protons by 63 Cu; this leads us to make use of different sets of wave functions to describe the various states of the target nucleus. We analyze the nature of these states and the shape of the nucleon-nucleus interaction potential, and we compare the results with those obtained from other theoretical and experimental work. (author) [fr

  20. Game-theoretic interference coordination approaches for dynamic spectrum access

    CERN Document Server

    Xu, Yuhua

    2016-01-01

    Written by experts in the field, this book is based on recent research findings in dynamic spectrum access for cognitive radio networks. It establishes a game-theoretic framework and presents cutting-edge technologies for distributed interference coordination. With game-theoretic formulation and the designed distributed learning algorithms, it provides insights into the interactions between multiple decision-makers and the converging stable states. Researchers, scientists and engineers in the field of cognitive radio networks will benefit from the book, which provides valuable information, useful methods and practical algorithms for use in emerging 5G wireless communication.

  1. Annual progress report for 1985 of Theoretical Physics Division

    International Nuclear Information System (INIS)

    Rastogi, B.P.

    1986-01-01

    This report presents a resume of the work done in the Theoretical Physics Division during the calender year, 1985. The topics covered are described by their brief summaries. The main fields of the work were : (a) physics design of the 500 MWe PHWR and related developmental studies, (b) reactor physics work related to Rajasthan, Narora and Tarapur stations, (c) laser fusion studies, (d) mathematical physics studies on Monte-Carlo method, transport equation and Fokker-Planck Equation and (e) theoretical physics studies related to Feynman path integrals and quantum optics. The lists of research publications and Trombay Colloquia organised are also appended. (author)

  2. Theoretical considerations and measurements for phoropters

    Science.gov (United States)

    Zhang, Jiyan; Liu, Wenli; Sun, Jie

    2008-10-01

    A phoropter is one of the most popular ophthalmic instruments used in current optometry practice. The quality and verification of the instrument are of the utmost importance. In 1997, International Organization for Standardization published the first ISO standard for requirements of phoropters. However, in China, few standard and test method are suggested for phoropters. Research work on test method for phoropters was carried out early in 2004 by China National Institute of Metrology. In this paper, first, structure of phoropters is described. Then, theoretical considerations for its optical design are analyzed. Next, a newly developed instrument is introduced and measurements are taken. By calibration, the indication error of the instrument is not over 0.05m-1. Finally, measurement results show that the quality situation of phoropters is not as good as expected because of production and assembly error. Optical design shall be improved especially for combinations of both spherical and cylindrical lenses with higher power. Besides, optical requirements specified in ISO standard are found to be a little strict and hard to meet. A proposal for revision of this international standard is drafted and discussed on ISO meeting of 2007 held in Tokyo.

  3. Theoretical Basis Of The Company Competitiveness Assessment

    Directory of Open Access Journals (Sweden)

    Vladimir Nikiforovich Belkin

    2015-03-01

    Full Text Available The article deals with the basic theoretical questions of the company competitiveness assessment. The state of modern economic thought on this issue is shown. The main factors of the company competitiveness are specified. A specific role of staff of an enterprise is revealed: on the one hand, it is a resource, on the other is a subject, resulting in productive movement all factors of competitiveness, i.e. the staff is a critical factor in the company competitiveness. The criterion of company competitiveness is proposed, on its basis, the concept of “competitive enterprise” is defined. The most well-known approaches for assessing the company competitiveness are analyzed. The author’s method of the company competitiveness assessment based on the dynamics of the integral index of competitiveness is provided. For those cases, when it is impossible to determine the proportion of products on the market, it is proposed to evaluate the company competitiveness on the profitability of its production. The article shows the experience in calculating of the company competitiveness on the proposed author’s methods.

  4. Theoretical problems in accelerator physics

    International Nuclear Information System (INIS)

    1992-01-01

    This report discusses the following research on accelerators: computational methods; higher order mode suppression in accelerators structures; overmoded waveguide components and application to SLED II and power transport; rf sources; accelerator cavity design for a B factory asymmetric collider; and photonic band gap cavities

  5. Electron transport code theoretical basis

    International Nuclear Information System (INIS)

    Dubi, A.; Horowitz, Y.S.

    1978-04-01

    This report mainly describes the physical and mathematical considerations involved in the treatment of the multiple collision processes. A brief description is given of the traditional methods used in electron transport via Monte Carlo, and a somewhat more detailed description, of the approach to be used in the presently developed code

  6. Theoretical and Behavioral Conformity in Scientific Ethics Norms of Students

    Directory of Open Access Journals (Sweden)

    Shahla Khalafi

    2016-12-01

    Full Text Available This article aims to achieve the theoretical and behavioral preferences on scientific Ethics norms among PhD students and the level of conformity and unconformity of theoretical and behavioral preferences on scientific Ethics norms among PhD students. It also aims to achieve the realities based on the conflicts and to explain factors related to level of conflict of these values. This article has a combined approach ranging from Ethics theories based on inter- role conflict of Dahrendorf, scientific Ethics indicators of Resnick, Merton, Parsons, Goffman and Ethics Growth theories.  Methodology is based on a field survey and its population is PhD students of fields of humanities, engineering and basic sciences from Shahid Beheshti University. One hundred ninety-six students were chosen by complete enumeration method and they were under a test by a questionnaire with total validity 80% and 81% .The results showed there is no complete conformity between theoretical and behavioral preferences on scientific Ethics norms among PhD students so that 16.33 of the students have over 60% conformity and 83.68 of them have over 40% unconformity and The level of unconformity in the theoretical and behavioral preferences on scientific Ethics norms are different in the three fields (among PhD students of fields of humanities, engineering and basic sciences. In addition, when the theoretical preferences -12 Ethics indicators- are considered to each other, there is no conflict among them but in the comparison of the theoretical preferences and behavioral preferences, there is unconformity (conflict between theoretical and behavioral preferences.

  7. Practical versus theoretical domestic energy consumption for space heating

    International Nuclear Information System (INIS)

    Audenaert, A.; Briffaerts, K.; Engels, L.

    2011-01-01

    Methods to calculate the theoretical energy consumption consider several things: the number of degree days per year that need to be compensated by heating, the characteristics of the dwelling, the number of occupants and the characteristics of the installation for space heating and sanitary hot water. However, these methods do not take into account consumer behaviour, which may affect the actual consumption. The theoretical calculation methods are based on assumptions and use a number of standardized parameters. The difference between the actual and the theoretical energy consumption, and the impact of the residents' behaviour on energy consumption, is analysed by means of a literature study and a practical research. An energy advice procedure (EAP) audit is executed in five dwellings, as well as a survey regarding the energy related behaviour of the households. The theoretically calculated consumption is compared with the billed actual energy consumption of the families. The results show some problems with the current procedure and give some options to improve it. Some research needs are identified to gain more insights in the influence of different behavioural factors on the actual energy use for heating. - Highlights: → The energy advice procedure (EAP) calculates the energy use for heating in dwellings. → Calculations are compared with the real energy use for 5 dwellings. → A survey on the occupants' behaviour is used to interpret the observed differences. → Default values used in the EAP can be very different from the observed behaviour.

  8. Theoretical Approaches Concerning Statistical Survey

    Directory of Open Access Journals (Sweden)

    Podaşcă Raluca

    2017-01-01

    Full Text Available In the current modern age, socio-statistical surveys are particularly important in researchingsocial life. Thus, individual data obtained through total or partial observations are used. The mainissue proposed to solve by selective research is to determine a partial collectivity from the totalstatistical community with features that characterize the entire statistical population. Partialcollectivity is an element of statistical research through which are researched the features of theentire collectivity. Statistical survey represents a method of characterizing the statisticalpopulation based on the research of a subset named statistical sample, which is obtained byvarious methods from general population. The ultimate goal of the survey is not the knowledge andresearch of the sample, but the knowledge of the whole statistical population.

  9. Theoretical properties of carbon nanotubes

    International Nuclear Information System (INIS)

    Palser, A.H.

    2000-01-01

    Carbon nanotubes are invariably terminated with hemi-fullerene caps. In order to investigate the effect of these caps on the electronic structure, a method is developed to enumerate every hemi-fullerene cap which is commensurate with a given nanotube body. This algorithm is then applied to nanotubes for which I + m ≤ 25. The results of this algorithm are then used to study the effects of caps with different symmetries on the electronic structure of metallic and semi-conducting nanotubes within the Hueckel model. It is found that caps can cause localised and resonance states, although the likelihood of localised states occurring in capped metallic nanotubes is shown to be small. In addition, caps induce a non-uniform charge distribution, in which negative charge tends to accumulate on pentagon vertices. The thesis ends by describing two new density matrix methods for performing linear-scaling electronic-structure calculations within the independent electron approximation. Example calculations demonstrate that these methods provide efficient and robust ways of performing linear-scaling calculations, either grand canonically (at a fixed chemical potential) or canonically (at a fixed electron count). (author)

  10. Report on survey for high-performance industrial furnace introduction field test project in fiscal 1999. Verification work on achievements of industrial furnace development in 1999 by using theoretical method; 1999 nendo koseino kogyoro donyu field test jigyo chosa hokokusho. 1999 nendo koseino kogyoro kaihatsu seika no rironteki shuho ni yoru kakusho gyomu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-03-01

    The high-performance industrial furnace introduction field test project has been executed from fiscal 1998 through fiscal 2000. Fiscal 1999 has performed measurements, evaluations, analyses, and follow-ups on representative demonstration furnaces, subsequently from fiscal 1998. At the same time, theoretical discussions were given to understand the details of the achievements. The measurements and investigations on the representative demonstration furnaces verified remarkable enhancement in the waste heat recovery rate, and noticeable reduction in the fuel unit requirement. In order to understand in-furnace phenomena and heat conduction mechanisms, simulations were made on combustion gas flows, combustion reactions, and heat conduction by using three-dimensional and non-steady state continuous analyses. The method used is an effective method to elucidate the in-furnace gas temperature distribution in terms of space and time, and evaluate the heat conducting performance quantitatively. The result obtained in the current fiscal year on the overall heat absorption rate was found to be about the same value as for conventional furnaces. The temperature efficiency calculation value for the heat recovering device was 90 to 95%, which is much higher than that for the conventional furnaces of 30 to 60%. The calculation value for the fuel unit requirement was also reduced by 20 to 30% from that of the conventional furnaces. The simulation result is effective in understanding the heat conduction performance enhancing mechanism, having been supplemented by the measurements. (NEDO)

  11. Theoretical implications of recent collider results

    International Nuclear Information System (INIS)

    Peccei, R.D.

    1984-10-01

    After discussing the comparison of the properties of the W and Z bosons found at the CERN collider with what is expected in the standard model, I critically overview various theoretical speculations concerning some recently reported exotic events, like radiative Z decays, monojets, hot photons, and jet activity. No overwhelmingly favored theoretical explanation appears to spring forth for all the existing exotica. (orig.)

  12. Theoretical Perspectives on Gender and Development | IDRC ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Theoretical Perspectives on Gender and Development demystifies the theory of gender and development and shows how it plays an important role in everyday life. It explores the evolution of gender and development theory, introduces competing theoretical frameworks, and examines new and emerging debates. The focus ...

  13. Theoretical Perspectives on the Internationalization of Firms

    DEFF Research Database (Denmark)

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

    2008-01-01

    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...

  14. 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)

  15. Sensemaking in Expatriation—A Theoretical Basis

    NARCIS (Netherlands)

    Glanz, Lyn; Williams, Roger; Hoeksema, Ludwig

    2001-01-01

    Contemporary thinking and research into expatriation has fallen into two clusters: a macrostrategic level and a micropractice level. Some theoretical tension exists between the clusters, and calls for the reframing of understanding gained from the theoretical basis of past acculturation studies to

  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. Topics in theoretical surface science

    Energy Technology Data Exchange (ETDEWEB)

    Todd, R.

    1991-10-25

    The energetics and structures of clean and adsorbate covered surfaces are investigated in this dissertation. First, the formalism, within the Corrected Effective Medium (CEM) method, for calculating the surface energy of a clean surface is derived. The surface energies for many different metals and their low index surfaces are presented. The minimization of the surface energy is then used to predict the multilayer relaxation of the Al(111), (100), Ni(100), (110) and Fe(100) surfaces. Extensions of the surface CEM formalism to calculate the binding energies of ordered adsorbates on metals surfaces are also derived. The minimization of the binding energy allowed determination of the binding heights, sites and the extent of induced multilayer relaxation for H and N atoms on the Fe(110), (100) and W(110) surfaces. The last topic deals with the dynamics of the epitaxial growth of metals on metal surfaces. The CEM method was first modified by making approximations to enable faster evaluations of the potential and its corresponding forces for molecular dynamics simulations. The goal of these simulations was to identify the important steps in the formation of equilibrium epitaxial structures. 180 refs., 31 figs., 18 tabs.

  18. Experimental and Theoretical Investigations of a Mechanical Lever System Driven by a DC Motor

    Science.gov (United States)

    Nana, B.; Fautso Kuiate, G.; Yamgoué, S. B.

    This paper presents theoretical and experimental results on the investigation of the dynamics of a nonlinear electromechanical system made of a lever arm actuated by a DC motor and controlled through a repulsive magnetic force. We use the method of harmonic balance to derive oscillatory solutions. Theoretical tools such as, bifurcation diagrams, Lyapunov exponents, phase portraits, are used to unveil the rich nonlinear behavior of the system including chaos and hysteresis. The experimental results are in close accordance with the theoretical predictions.

  19. Theoretical Characterizaiton of Visual Signatures (Muzzle Flash)

    Science.gov (United States)

    Kashinski, D. O.; Scales, A. N.; Vanderley, D. L.; Chase, G. M.; di Nallo, O. E.; Byrd, E. F. C.

    2014-05-01

    We are investigating the accuracy of theoretical models used to predict the visible, ultraviolet and infrared spectra of product materials ejected from the muzzle of currently fielded systems. Recent advances in solid propellants has made the management of muzzle signature (flash) a principle issue in weapons development across the calibers. A priori prediction of the electromagnetic spectra of formulations will allow researchers to tailor blends that yield desired signatures and determine spectrographic detection ranges. We are currently employing quantum chemistry methods at various levels of sophistication to optimize molecular geometries, compute vibrational frequencies, and determine the optical spectra of specific gas-phase molecules and radicals of interest. Electronic excitations are being computed using Time Dependent Density Functional Theory (TD-DFT). A comparison of computational results to experimental values found in the literature is used to assess the affect of basis set and functional choice on calculation accuracy. The current status of this work will be presented at the conference. Work supported by the ARL, and USMA.

  20. A theoretical analysis of vertical flow equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Yortsos, Y.C.

    1992-01-01

    The assumption of Vertical Flow Equilibrium (VFE) and of parallel flow conditions, in general, is often applied to the modeling of flow and displacement in natural porous media. However, the methodology for the development of the various models is rather intuitive, and no rigorous method is currently available. In this paper, we develop an asymptotic theory using as parameter the variable R{sub L} = (L/H){radical}(k{sub V})/(k{sub H}). It is rigorously shown that present models represent the leading order term of an asymptotic expansion with respect to 1/R{sub L}{sup 2}. Although this was numerically suspected, it is the first time that is is theoretically proved. Based on the general formulation, a series of models are subsequently obtained. In the absence of strong gravity effects, they generalize previous works by Zapata and Lake (1981), Yokoyama and Lake (1981) and Lake and Hirasaki (1981), on immiscible and miscible displacements. In the limit of gravity-segregated flow, we prove conditions for the fluids to be segregated and derive the Dupuit and Dietz (1953) approximations. Finally, we also discuss effects of capillarity and transverse dispersion.

  1. Deductive Reasoning in Introductory Educational Research: A Survey of Theoretical- and Cognitive-Content from Selected Logic References.

    Science.gov (United States)

    Wilmoth, James Noel

    This document, which consists of three parts and a summary, surveys a) the structure of theoretical systems, b) the functions of theoretical systems, and c) the formal logical methods of the theoretical scientist in order to find approaches to educational research. Emphasis throughout is placed on the discrimination of concepts-by-intuition from…

  2. Understanding bimolecular machines: Theoretical and experimental approaches

    Science.gov (United States)

    Goler, Adam Scott

    This dissertation concerns the study of two classes of molecular machines from a physical perspective: enzymes and membrane proteins. Though the functions of these classes of proteins are different, they each represent important test-beds from which new understanding can be developed by the application of different techniques. HIV1 Reverse Transcriptase is an enzyme that performs multiple functions, including reverse transcription of RNA into an RNA/DNA duplex, RNA degradation by the RNaseH domain, and synthesis of dsDNA. These functions allow for the incorporation of the retroviral genes into the host genome. Its catalytic cycle requires repeated large-scale conformational changes fundamental to its mechanism. Motivated by experimental work, these motions were studied theoretically by the application of normal mode analysis. It was observed that the lowest order modes correlate with largest amplitude (low-frequency) motion, which are most likely to be catalytically relevant. Comparisons between normal modes obtained via an elastic network model to those calculated from the essential dynamics of a series of all-atom molecular dynamics simulations show the self-consistency between these calculations. That similar conformational motions are seen between independent theoretical methods reinforces the importance of large-scale subdomain motion for the biochemical action of DNA polymerases in general. Moreover, it was observed that the major subunits of HIV1 Reverse Transcriptase interact quasi-harmonically. The 5HT3A Serotonin receptor and P2X1 receptor, by contrast, are trans-membrane proteins that function as ligand gated ion channels. Such proteins feature a central pore, which allows for the transit of ions necessary for cellular function across a membrane. The pore is opened by the ligation of binding sites on the extracellular portion of different protein subunits. In an attempt to resolve the individual subunits of these membrane proteins beyond the diffraction

  3. 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

  4. Blogging in Higher Education: Theoretical and Practical Approach

    Directory of Open Access Journals (Sweden)

    Gulfidan CAN

    2006-12-01

    Full Text Available In this paper the blogging method, which includes new forms of writing, is supported as an alternative approach to address the frequently asserted problems in higher education such as product-oriented assessment and lack of value given to students' writing as contribution to the discourse of the academic disciplines. Both theoretical and research background information is provided to clarify the rationale of using this method in higher education. Furthermore, recommended way of using this method in courses is outlined specifically in relation to these problems.

  5. A theoretical study on the B3 phases of ZnSe: Structural and ...

    Indian Academy of Sciences (India)

    KHOIROM Kabita

    2017-06-20

    Jun 20, 2017 ... fabrication of blue light emitting diodes, quantum well devices, infrared window lenses etc. It crystallizes in four-fold coordinated zinc-blende (ZB) structure that is in B3 phase under ambient pressure. ZnSe is intensively studied, experimentally as well as theoretically, using different methods. Theoretical ...

  6. 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...

  7. Science Academies' Refresher Course on Theoretical Chemistry

    Indian Academy of Sciences (India)

    The Course on Theoretical Chemistry will include the topics: Organic Reaction Mechanism, Inorganic Re- action Mechanism, Stereo chemistry, Asymmetric Synthesis, Pericyclic Reactions, Electrocyclic reactions,. Cycloaddition reactions, Sigmatropic reactions, Photochemistry, Intermolecular reactions, Photochemistry of.

  8. 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....

  9. 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.

  10. Theoretical investigation of solid hydrogen and deuterium

    OpenAIRE

    Magdau, Ioan-Bogdan

    2016-01-01

    Solid hydrogen forms at extreme conditions, under high pressures. Although the hydrogen atom is easy to understand theoretically, when interacting in the solid state it becomes complicated. Up to now, five different solid phases have been confirmed experimentally and theory has predicted numerous competing crystal candidates. The goal is to obtain solid metallic hydrogen which has been predicted theoretically eighty years ago and has since been considered the holy grail of h...

  11. 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)

  12. Theoretical aspects of coping strategies study

    OpenAIRE

    Kabiyeva, M.; Kasen, G. A.

    2015-01-01

    In article based on a thorough analysis of classical and modern foreign and domestic literature examines the notion of coping strategies, approaches to the understanding of coping. Theoretically proved that coping is an individual way to interact with the situation according to its own logic, psychological capabilities and its importance in human life, the level of development of coping resources provides a successful adaptation to stress. From the analysis of theoretical literature, we saw t...

  13. 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.

  14. English for Science and Technology - Theoretical Part

    DEFF Research Database (Denmark)

    Mousten, Birthe

    The books covers the most basic, theoretical approaches to English for Science and Technology. The book is aimed at BA Students or as an introduction to English in the genres of science and technology writing.......The books covers the most basic, theoretical approaches to English for Science and Technology. The book is aimed at BA Students or as an introduction to English in the genres of science and technology writing....

  15. Theoretical Thinking vs Theorization in Translation

    OpenAIRE

    Mine Yazıcı

    2015-01-01

    Since translation concerns all disciplines, we may ask whether it is possible to conduct theoretical research peculiar to translations, or to what extent theoretical thinking is possible in a field of study which has a nexus of complex relations with other disciplines. We can answer these questions if we understand why we have a recourse to theorization in translation. Since the defining feature of theory as a complex set of relations overlaps with the concept of translation, they both involv...

  16. 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

  17. Calculations of Theoretical Strength: State of the Art and History

    Czech Academy of Sciences Publication Activity Database

    Pokluda, J.; Černý, M.; Šandera, P.; Šob, Mojmír

    2004-01-01

    Roč. 11, č. 1 (2004), s. 1-28 ISSN 0928-1045 R&D Projects: GA AV ČR(CZ) IAA1041302; GA ČR(CZ) GA202/03/1351; GA MŠk(CZ) OC 523.90 Institutional research plan: CEZ:AV0Z2041904 Keywords : theoretical tensile strength * ab initio calculations * semi-empirical methods Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.639, year: 2004

  18. Set-theoretical reflection equation: Classification of reflection maps

    OpenAIRE

    Caudrelier, V.; Crampe, N.; Zhang, Q. C.

    2012-01-01

    The set-theoretical reflection equation and its solutions, the reflection maps, recently introduced by two of the authors, is presented in general and then applied in the context of quadrirational Yang-Baxter maps. We provide a method for constructing reflection maps and we obtain a classification of solutions associated to all the families of quadrirational Yang-Baxter maps that have been classified recently.

  19. Intelligent systems: A semiotic perspective. Volume I: Theoretical semiotics

    Energy Technology Data Exchange (ETDEWEB)

    Albus, J.; Meystel, A.; Quintero, R.

    1996-12-31

    This report contains the papers from the Proceedings of the 1996 International Multidisciplinary Conference - Theoretical Semiotics. General topics covered are: semiotic in biology: biologically inspired complex systems; intelligence in constructed complex systems; intelligence of learning and evolution; fuzzy logic and the mechanisms of generalization; information representation for decision making; sematic foundations; syntactics of intelligent systems: the kind of logic available; intelligence of recognition: the semiotic tools; and multiresolutional methods.

  20. A theoretical and experimental study of microshield circuits

    Science.gov (United States)

    Dib, Nihad I.; Drayton, Rhonda F.; Katehi, Linda P. B.

    1993-05-01

    The novel type of monolithic planar transmission line presently studied theoretically and experimentally operates without via-holes or ground-equalizing air bridges; it also radiates less than conventional coplanar waveguides and furnishes a wide range of impedances in virtue of its many design parameters. The space-domain integral equation method is used to analyze several discontinuities of the proposed line. It is shown that the proposed line discontinuities radiate less than the corresponding coplanar waveguide cases.

  1. 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.

  2. MANAGING CHANGE: SOME THEORETICAL AND APPLICATIVE ASPECTS

    Directory of Open Access Journals (Sweden)

    Botezat Elena

    2012-07-01

    Full Text Available The strategic organizational change aims is the change of procedures and systems, organizational structures and responsibilities but especially acquiring new knowledge and skills. Significant authors (Drucker: 1999; Kotter: 1996; Buckingham n Clifton: 2001, supporters of the theory of strategic leadership show an inclination for the idea of optimal management of an organization, which depends on circumstantial factors as place and time, the individual and the context in which it acts. Many experts who studied organizational change saw as possible the future replacement of the current state, desired only after completion of specific phases, in a certain sequence. In this article we will focus our attention on the reduction phase of resistance to change. The research objectives targeted both theoretical aspects consisting in bringing to the forefront the relevant aspects related to organizational change in the current context and practical aspects related to identifying and analyzing the main elements that make it possible or on the contrary act as brakes in way of introduction and implementation of change. To achieve the research objectives, we used the method of direct observation and the questionnaire method supported by the gathering of more information from the organization's documents (Beton Construct SRL and support discussions with the employees. Data processing and analysis revealed that in the organization certain factors exist and manifest that constitute obstacles or inhibit organizational change, namely: the goal of the change is not clear, the rewards of change are not related to the effort needed to make them happen, change determines fear of failure, change is often imposed by coercion, change requires effort and commitment required for employees that think they do not have resources anymore. Summarizing the results of usage for certain methods and techniques to implement change, we can say that the actions of an authoritarian

  3. Experimental and theoretical study on the electrospinning nanoporous fibers process

    International Nuclear Information System (INIS)

    Zhao, Jianghui; Si, Na; Xu, Lan; Tang, Xiaopeng; Song, Yanhua; Sun, Zhaoyang

    2016-01-01

    Porous materials can be prepared by sol–gel method, hydrothermal synthesis method, electrospinning and other methods. In this paper, electrospun porous nanofibers were prepared by adjusting electrospinning parameters. And the properties of obtained porous nanofiber mats were investigated. Theoretical analysis and experiment research were carried out to research mechanical mechanism of electrospun porous nanofibers, and could be used to optimize and control the porous structure. The theoretical analysis results were further verified according to the experimental data. In addition, Bernoulli equation was used to study the electrospinning “splaying” process. We found the ratio of pore width to pore length was varied along with the variation of the internal pressure of the jet, and the internal pressure of the jet increases with the velocity of the charged jet decreases. - Highlights: • Mechanical mechanism of electrospun porous nanofibers process was studied. • A simplifying gas–liquid two-phase flow model was established. • Bernoulli equation was used to study the electrospinning “splaying” process. • The theoretical results were in good agreement with the experimental data. • The electrospinning parameters affected the surface morphology of charged jet.

  4. THEORETICAL SPECTRA OF TERRESTRIAL EXOPLANET SURFACES

    Energy Technology Data Exchange (ETDEWEB)

    Hu Renyu; Seager, Sara [Department of Earth, Atmospheric and Planetary Sciences, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Ehlmann, Bethany L., E-mail: hury@mit.edu [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States)

    2012-06-10

    We investigate spectra of airless rocky exoplanets with a theoretical framework that self-consistently treats reflection and thermal emission. We find that a silicate surface on an exoplanet is spectroscopically detectable via prominent Si-O features in the thermal emission bands of 7-13 {mu}m and 15-25 {mu}m. The variation of brightness temperature due to the silicate features can be up to 20 K for an airless Earth analog, and the silicate features are wide enough to be distinguished from atmospheric features with relatively high resolution spectra. The surface characterization thus provides a method to unambiguously identify a rocky exoplanet. Furthermore, identification of specific rocky surface types is possible with the planet's reflectance spectrum in near-infrared broad bands. A key parameter to observe is the difference between K-band and J-band geometric albedos (A{sub g}(K) - A{sub g}(J)): A{sub g}(K) - A{sub g}(J) > 0.2 indicates that more than half of the planet's surface has abundant mafic minerals, such as olivine and pyroxene, in other words primary crust from a magma ocean or high-temperature lavas; A{sub g}(K) - A{sub g}(J) < -0.09 indicates that more than half of the planet's surface is covered or partially covered by water ice or hydrated silicates, implying extant or past water on its surface. Also, surface water ice can be specifically distinguished by an H-band geometric albedo lower than the J-band geometric albedo. The surface features can be distinguished from possible atmospheric features with molecule identification of atmospheric species by transmission spectroscopy. We therefore propose that mid-infrared spectroscopy of exoplanets may detect rocky surfaces, and near-infrared spectrophotometry may identify ultramafic surfaces, hydrated surfaces, and water ice.

  5. Valoração Econômica Ambiental: um estudo analítico e teórico dos métodos e suas multi-aplicabilidades = Environmental economic valuation: an analytical and theoretical study of methods and their multi applicabilities

    Directory of Open Access Journals (Sweden)

    Pedro dos Santos Portugal Júnior

    2012-11-01

    , nowadays, acts directly in the administrative decisions of economic agents and sociey. Based on this, the present study aims at theoretically analyzing some environmental economic valuation methods, their characteristics and applications. Specifically it is intended to demonstrate the possibility of applying such methods in a multiple environmental valuation in a deeper and more comprehensive way, adding that the presentation of two new methods developed by the authors of this paper that complement the others. The approached context initially permeates the factors of production and their specific characteristics, moving later to analyze the components of the total economic value of natural resources. Then some methods of environmental economic valuation are discussed and, at the end, it is presented the possibility of applying different methods for environmental analysis in the same case. We use the deductive method and technique of literature research as a way to achieve this study’s goals, being a theoretical and exploratory researchl. The study concludes positively about the possibility of multi-applicability of methods of valuation of environmental damage as a way to make this analysis more comprehensive and complete. The results also indicated that the new methods presented allow a more detailed environmental analysis and deeper mathematical foundations. Added to this the fact that the main complication of using the system of multi-applicability would be how to determine the weighting levels of different methods used in environmental analysis. This should be done considering the specificities of environmental damage and analyzing the information available; therefore, new studies on this topic are needed.

  6. 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.

  7. Grupos de discussão na pesquisa com adolescentes e jovens: aportes teórico-metodológicos e análise de uma experiência com o método Discussion groups in the research with teenagers and youngsters: theoretical-methodological contributions and analysis of an experience with the method

    Directory of Open Access Journals (Sweden)

    Wivian Weller

    2006-08-01

    studied, and a constant methodological control of the process of interpretation, so as to avoid biases and distorted statements about the social reality of the interviewees. In the last years, the number of theses and dissertations about childhood and youth has increased considerably. However, because of the need to comply with deadlines, or for attributing to the theoretical framework a higher level of importance, we seldom dedicate ourselves to reconstruct the trajectory followed during the phases of collection and analysis of the empirical data, and to justify our theoretical-methodological choices. The article reconstructs the path followed by a fieldwork carried out with youngsters in São Paulo and in Berlin, describes the instruments used to collect data, and analyzes the use of discussion groups as a research method that privileges interactions and the greater insertion of the researcher in the subjects' universe, thereby reducing the risk of mistaken interpretations about the medium researched.

  8. Explaining clinical behaviors using multiple theoretical models

    Directory of Open Access Journals (Sweden)

    Eccles Martin P

    2012-10-01

    Full Text Available Abstract Background In the field of implementation research, there is an increased interest in use of theory when designing implementation research studies involving behavior change. In 2003, we initiated a series of five studies to establish a scientific rationale for interventions to translate research findings into clinical practice by exploring the performance of a number of different, commonly used, overlapping behavioral theories and models. We reflect on the strengths and weaknesses of the methods, the performance of the theories, and consider where these methods sit alongside the range of methods for studying healthcare professional behavior change. Methods These were five studies of the theory-based cognitions and clinical behaviors (taking dental radiographs, performing dental restorations, placing fissure sealants, managing upper respiratory tract infections without prescribing antibiotics, managing low back pain without ordering lumbar spine x-rays of random samples of primary care dentists and physicians. Measures were derived for the explanatory theoretical constructs in the Theory of Planned Behavior (TPB, Social Cognitive Theory (SCT, and Illness Representations specified by the Common Sense Self Regulation Model (CSSRM. We constructed self-report measures of two constructs from Learning Theory (LT, a measure of Implementation Intentions (II, and the Precaution Adoption Process. We collected data on theory-based cognitions (explanatory measures and two interim outcome measures (stated behavioral intention and simulated behavior by postal questionnaire survey during the 12-month period to which objective measures of behavior (collected from routine administrative sources were related. Planned analyses explored the predictive value of theories in explaining variance in intention, behavioral simulation and behavior. Results Response rates across the five surveys ranged from 21% to 48%; we achieved the target sample size for three of

  9. A theoretical study for RTE-based parameter identification problems

    International Nuclear Information System (INIS)

    Tang, Jinping; Han, Bo; Han, Weimin

    2013-01-01

    This paper provides a theoretical study of reconstructing absorption and scattering coefficients based on the radiative transport equation (RTE) by using the total variation regularization method. The function space for solutions of the RTE is a natural one from the form of the boundary value problem of the RTE. We analyze the continuity and differentiability of the forward operator. We then show that the total variation regularization method can be applied for a stable solution. Convergence of the total variation-minimizing solution in the sense of the Bregman distance is also obtained. (paper)

  10. Theoretical study of fractal growth and stability on surface

    DEFF Research Database (Denmark)

    Dick, Veronika V.; Solov'yov, Ilia; Solov'yov, Andrey V.

    2009-01-01

    We perform a theoretical study of the fractal growing process on surface by using the deposition, diffusion, aggregation method. We present a detailed analysis of the post-growth processes occurring in a nanofractal on surface. For this study we developed a method which describes the internal...... dynamics of particles in a fractal and accounts for their diffusion and detachment. We demonstrate that these kinetic processes are responsible for the formation of the final shape of the islands on surface after the post-growth relaxation....

  11. Towards a set Theoretical Approach to Big Data Analytics

    DEFF Research Database (Denmark)

    Mukkamala, Raghava Rao; Hussain, Abid; Vatrapu, Ravi

    2014-01-01

    Formal methods, models and tools for social big data analytics are largely limited to graph theoretical approaches such as social network analysis (SNA) informed by relational sociology. There are no other unified modeling approaches to social big data that integrate the conceptual, formal...... the Social Data Analytics Tool (SODATO) that realizes the conceptual model in software and provisions social data analysis based on the conceptual and formal models. Fourth and last, based on the formal model and sentiment analysis of text, we present a method for profiling of artifacts and actors and apply...

  12. Choice of theoretical model for beam scattering at accelerator output foil for particle energy determination

    International Nuclear Information System (INIS)

    Balagyra, V.S.; Ryabka, P.M.

    1999-01-01

    For measuring the charged particle energy calculations of mean square angles of electron beam multiple Coulomb scattering at output combined accelerator target were undertaken according to seven theoretical models. Mollier method showed the best agreement with experiments

  13. Determination of cognitive development: postnonclassical theoretical model

    Directory of Open Access Journals (Sweden)

    Irina N. Pogozhina

    2015-09-01

    described as a self-organizing system with six common features of self-organizing systems. Three general and three local demands for the development of postnonclassical determination development model of cognitive structures were defined. It is concluded that postnonclassical cognitive structures formation and development model and its application to a specific substantive material should contain a description of the three groups of factors: 1 self-development trends in the cognitive structure as an integrated system; 2 configuration and methods of effects on the cognitive structure functioning and development from the outside (external determination; 3 mechanisms of the external factors influence on the development of cognitive structures. By studying and describing these factors, it will be possible to transfer the link between learning and development from the stage of theoretical analysis to the level of applied technology. This technology allows to influence on the cognitive systems development and also increase its efficacy by external determinants influence (generative cause on the cognitive structures self-organization mechanisms (internal determinants according to the potentialities of its self-development.

  14. Application of a theoretical model to evaluate COPD disease management

    Science.gov (United States)

    2010-01-01

    Background Disease management programmes are heterogeneous in nature and often lack a theoretical basis. An evaluation model has been developed in which theoretically driven inquiries link disease management interventions to outcomes. The aim of this study is to methodically evaluate the impact of a disease management programme for patients with chronic obstructive pulmonary disease (COPD) on process, intermediate and final outcomes of care in a general practice setting. Methods A quasi-experimental research was performed with 12-months follow-up of 189 COPD patients in primary care in the Netherlands. The programme included patient education, protocolised assessment and treatment of COPD, structural follow-up and coordination by practice nurses at 3, 6 and 12 months. Data on intermediate outcomes (knowledge, psychosocial mediators, self-efficacy and behaviour) and final outcomes (dyspnoea, quality of life, measured by the CRQ and CCQ, and patient experiences) were obtained from questionnaires and electronic registries. Results Implementation of the programme was associated with significant improvements in dyspnoea (p theory-driven model enhances the design and evaluation of disease management programmes aimed at improving health outcomes. This study supports the notion that a theoretical approach strengthens the evaluation designs of complex interventions. Moreover, it provides prudent evidence that the implementation of COPD disease management programmes can positively influence outcomes of care. PMID:20346135

  15. Application of a theoretical model to evaluate COPD disease management

    Directory of Open Access Journals (Sweden)

    Asin Javier D

    2010-03-01

    Full Text Available Abstract Background Disease management programmes are heterogeneous in nature and often lack a theoretical basis. An evaluation model has been developed in which theoretically driven inquiries link disease management interventions to outcomes. The aim of this study is to methodically evaluate the impact of a disease management programme for patients with chronic obstructive pulmonary disease (COPD on process, intermediate and final outcomes of care in a general practice setting. Methods A quasi-experimental research was performed with 12-months follow-up of 189 COPD patients in primary care in the Netherlands. The programme included patient education, protocolised assessment and treatment of COPD, structural follow-up and coordination by practice nurses at 3, 6 and 12 months. Data on intermediate outcomes (knowledge, psychosocial mediators, self-efficacy and behaviour and final outcomes (dyspnoea, quality of life, measured by the CRQ and CCQ, and patient experiences were obtained from questionnaires and electronic registries. Results Implementation of the programme was associated with significant improvements in dyspnoea (p Conclusions The application of a theory-driven model enhances the design and evaluation of disease management programmes aimed at improving health outcomes. This study supports the notion that a theoretical approach strengthens the evaluation designs of complex interventions. Moreover, it provides prudent evidence that the implementation of COPD disease management programmes can positively influence outcomes of care.

  16. The theoretical foundations of quantum mechanics

    CERN Document Server

    Baaquie, Belal E

    2013-01-01

    The Theoretical Foundations of Quantum Mechanics addresses fundamental issues that are not discussed in most books on quantum mechanics. This book focuses on analyzing the underlying principles of quantum mechanics and explaining the conceptual and theoretical underpinning of quantum mechanics. In particular, the concepts of quantum indeterminacy, quantum measurement and quantum superposition are analyzed to clarify the concepts that are implicit in the formulation of quantum mechanics. The Schrodinger equation is never solved in the book. Rather, the discussion on the fundamentals of quantum mechanics is treated in a rigorous manner based on the mathematics of quantum mechanics. The new concept of the interplay of empirical and trans-empirical constructs in quantum mechanics is introduced to clarify the foundations of quantum mechanics and to explain the counter-intuitive construction of nature in quantum mechanics. The Theoretical Foundations of Quantum Mechanics is aimed at the advanced undergraduate and a...

  17. Resistance and Renewal in Theoretical Psychology

    DEFF Research Database (Denmark)

    individuals and groups as resisting broader disciplinary and societal forces; this occurs not only by highlighting tacit assumptions, but also by developing theory-led projects to change the conditions in which our work and lives are constructed, regulated and renewed. These two features of theoretical...... 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...... care in refugee family life, resilience thinking in disaster research and practices, resisting quality management in higher education, the relationality and reflexivity of resistance and renewal, research on psychological science from its borders, rethinking possible selves research, imagination...

  18. 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

  19. 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.

  20. Job embeddedness: a multifoci theoretical extension.

    Science.gov (United States)

    Kiazad, Kohyar; Holtom, Brooks C; Hom, Peter W; Newman, Alexander

    2015-05-01

    Integrating the expanding job embeddedness (JE) literature, in this article we advance a multifoci model of JE that is theoretically grounded in conservation of resources (COR) theory. From COR theory, we posit that employees' motivation to acquire and protect resources explains why they become embedded and how they behave once embedded. Our COR-based JE model highlights contextual antecedents that clarify how employees become embedded within different foci. Its multifoci theoretical lens also illustrates how different forms of work-focused embeddedness differentially affect work outcomes and how they interact with nonwork foci to influence those outcomes. Along with directions for further research, we further discuss theoretical and practical implications of our integrative formulation. (c) 2015 APA, all rights reserved.

  1. Crystal structure and theoretical studies on quinoline phosphate

    Science.gov (United States)

    Ben Issa, T.; Ghalla, H.; Marzougui, S.; Benhamada, L.

    2017-12-01

    The crystal structure of (C9H7N) H3PO4 (QP) was determined from single crystals obtained by slow evaporation methods (space group Pī; a = 7.5508(3) Å, b = 7.9705(3) Å, c = 8.6849(3) Å; α = 77.3725(18)°, β = 82.6225(19)°, γ = 74.9829(19)°). The crystal structure of QP is built up from infinite hydrogen bonding inorganic chains of (H3PO4)n lay parallel to the an axis, which are also connected to the quinoline rings through hydrogen bonds in a 3D arrangement. The structure was examined through atoms in molecules (AIM) topological and Hirshfeld surface (HS) analyses and its molecular structure optimized by theoretical density functional (DFT) calculations. The QP observed IR absorptions between 4000 and 400 cm-1 were assigned on the basis of the calculated theoretical vibrational modes.

  2. Information-theoretical noninvasive damage detection in bridge structures

    Science.gov (United States)

    Sudu Ambegedara, Amila; Sun, Jie; Janoyan, Kerop; Bollt, Erik

    2016-11-01

    Damage detection of mechanical structures such as bridges is an important research problem in civil engineering. Using spatially distributed sensor time series data collected from a recent experiment on a local bridge in Upper State New York, we study noninvasive damage detection using information-theoretical methods. Several findings are in order. First, the time series data, which represent accelerations measured at the sensors, more closely follow Laplace distribution than normal distribution, allowing us to develop parameter estimators for various information-theoretic measures such as entropy and mutual information. Second, as damage is introduced by the removal of bolts of the first diaphragm connection, the interaction between spatially nearby sensors as measured by mutual information becomes weaker, suggesting that the bridge is "loosened." Finally, using a proposed optimal mutual information interaction procedure to prune away indirect interactions, we found that the primary direction of interaction or influence aligns with the traffic direction on the bridge even after damaging the bridge.

  3. Information Ergonomics A theoretical approach and practical experience in transportation

    CERN Document Server

    Sandl, Peter

    2012-01-01

    The variety and increasing availability of hypermedia information systems, which are used in stationary applications like operators’ consoles as well as mobile systems, e.g. driver information and navigation systems in automobiles form a foundation for the mediatization of the society. From the human engineering point of view this development and the ensuing increased importance of information systems for economic and private needs require careful deliberation of the derivation and application of ergonomics methods particularly in the field of information systems. This book consists of two closely intertwined parts. The first, theoretical part defines the concept of an information system, followed by an explanation of action regulation as well as cognitive theories to describe man information system interaction. A comprehensive description of information ergonomics concludes the theoretical approach. In the second, practically oriented part of this book authors from industry as well as from academic institu...

  4. Explaining clinical behaviors using multiple theoretical models.

    Science.gov (United States)

    Eccles, Martin P; Grimshaw, Jeremy M; MacLennan, Graeme; Bonetti, Debbie; Glidewell, Liz; Pitts, Nigel B; Steen, Nick; Thomas, Ruth; Walker, Anne; Johnston, Marie

    2012-10-17

    In the field of implementation research, there is an increased interest in use of theory when designing implementation research studies involving behavior change. In 2003, we initiated a series of five studies to establish a scientific rationale for interventions to translate research findings into clinical practice by exploring the performance of a number of different, commonly used, overlapping behavioral theories and models. We reflect on the strengths and weaknesses of the methods, the performance of the theories, and consider where these methods sit alongside the range of methods for studying healthcare professional behavior change. These were five studies of the theory-based cognitions and clinical behaviors (taking dental radiographs, performing dental restorations, placing fissure sealants, managing upper respiratory tract infections without prescribing antibiotics, managing low back pain without ordering lumbar spine x-rays) of random samples of primary care dentists and physicians. Measures were derived for the explanatory theoretical constructs in the Theory of Planned Behavior (TPB), Social Cognitive Theory (SCT), and Illness Representations specified by the Common Sense Self Regulation Model (CSSRM). We constructed self-report measures of two constructs from Learning Theory (LT), a measure of Implementation Intentions (II), and the Precaution Adoption Process. We collected data on theory-based cognitions (explanatory measures) and two interim outcome measures (stated behavioral intention and simulated behavior) by postal questionnaire survey during the 12-month period to which objective measures of behavior (collected from routine administrative sources) were related. Planned analyses explored the predictive value of theories in explaining variance in intention, behavioral simulation and behavior. Response rates across the five surveys ranged from 21% to 48%; we achieved the target sample size for three of the five surveys. For the predictor variables

  5. 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

  6. A Theoretical Framework for Ecological Interface Design

    DEFF Research Database (Denmark)

    Vicente, Kim J.; Rasmussen, Jens

    1988-01-01

    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......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...

  7. 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

  8. Bilingualism: theoretical perspectives of language diversity.

    Science.gov (United States)

    Stobbart, C L

    1992-01-01

    Bilingualism and second language acquisition are discussed with reference to different theoretical perspectives. An integrated definition of bilingualism is provided and concepts underlying second language acquisition are presented. Theoretical perspectives according to Dodson (1985), Skinner (1985) and Krashen (1982) are explored. It is concluded that due to the diverse nature of bilingualism, a single universal theory of second language acquisition does not seem feasible. The need for an increased awareness of the complexity of bilingualism and second language acquisition, particularly within the multicultural and multilingual South African context, is highlighted.

  9. 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.

  10. 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

  11. 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.

  12. 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

  13. 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

  14. 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

  15. Photography and History: methodological and theoretical issues

    Directory of Open Access Journals (Sweden)

    Ivo Santos Canabarro

    2015-06-01

    Full Text Available This article discusses issues related to the relation of photography with the construction of historical knowledge, realizing the theoretical dimensions that encompass a whole field of study about photography. The use of photography with its theoretical and methodological support in history is very recent, as many historians only used it for writing text illustration. Our hypothesis is that photography can be an object and source of investigation and, at the same time, an object that offers notions of its use as a specific problem in the field of visual culture.

  16. Numerical methods

    CERN Document Server

    Dahlquist, Germund

    1974-01-01

    ""Substantial, detailed and rigorous . . . readers for whom the book is intended are admirably served."" - MathSciNet (Mathematical Reviews on the Web), American Mathematical Society.Practical text strikes fine balance between students' requirements for theoretical treatment and needs of practitioners, with best methods for large- and small-scale computing. Prerequisites are minimal (calculus, linear algebra, and preferably some acquaintance with computer programming). Text includes many worked examples, problems, and an extensive bibliography.

  17. 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.

  18. 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…

  19. 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

  20. Realism Training Through Decision-Theoretic Testing.

    Science.gov (United States)

    McMullen, David W.

    Decision-theoretic testing is used to explore whether students can improve their realism, i.e. congruence between reported and true probabilities. Randomized sets of math problems were presented at computer terminals to 49 seventh graders from two classes (high/low achievers) over a period of three weeks. The subject assigned values to each of…

  1. Theoretical Developments in the Psychology of Aging.

    Science.gov (United States)

    Schroots, Johannes J. F.

    1996-01-01

    Presents an overview of the most distinctive psychological theories of aging promulgated after World War II. Groups theoretical developments into three periods: (1) Classical Period, which includes developmental tasks/activity theory; (2) Modern Period, which includes theories on life-span development and aging; and (3) New Period, represented by…

  2. 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...

  3. 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.)

  4. Developing a theoretical evaluative framework for information ...

    African Journals Online (AJOL)

    The importance of information literacy as a fundamental element in the process of social and economic development and lifelong learning in the 21st century has been widely acknowledged. Most information literacy programmes, however, lack a robust theoretical framework on which the intervention is based. The reported ...

  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. 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 ...

  7. Theoretical study of conjugated porphyrin polymers

    DEFF Research Database (Denmark)

    Pedersen, T.G.; Lynge, T.B.; Kristensen, P.K.

    2005-01-01

    for these applications. From a theoretical analysis of excitons in long metalloporphyrin chains, we demonstrate that the binding energy is much lower than in usual conjugated polymers. Our calculated absorption spectra are in good agreement with measurements. (c) 2004 Elsevier B.V. All rights reserved....

  8. 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…

  9. 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.

  10. 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

  11. 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.

  12. 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

  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. Riemann and Theoretical Physics 5 -6 ...

    Indian Academy of Sciences (India)

    Joseph Samuel is a theoretical physicist and by natural inclination a classical mechanic. Over the years he has strayed into other fields like optics, general relativity and very recently DNA elasticity. A unifying theme in his work is differential geometry and topology in physics. He keeps moderately fit by raising and lowering.

  15. Information and Announcements Refresher Course in Theoretical ...

    Indian Academy of Sciences (India)

    2002-06-30

    Jun 30, 2002 ... The broad aim of the Refresher Course is to help motivated teachers to improve and refresh their understanding of some basic courses in theoretical physics. The level of all the proposed sessions in this course will be more or less at the level at which Physics is taught in senior under-graduate and first year.

  16. Information and Announcements Refresher Course in Theoretical ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 10; Issue 5. Refresher Course in Theoretical Physics. Information and Announcements Volume 10 Issue 5 May 2005 pp 99-99. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/010/05/0099-0099. Resonance ...

  17. Science Academies' Refresher Course in Theoretical Physics

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 9. Science Academies' Refresher Course in Theoretical Physics. Information and Announcements Volume 19 Issue 9 September 2014 pp 875-875. Fulltext. Click here to view fulltext PDF. Permanent link:

  18. Theoretical exploration of pnicogen bond noncovalent interactions ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 127; Issue 10. Theoretical ... Keywords. Noncovalent interaction; pnicogen bond; natural bond orbital theory; natural resonance theory; electron density topological property. ... The natural bond orbital interactions in the ZBs are mainly LP1,2 (O) → * (P-X). The P-X ...

  19. 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.

  20. Theoretical study of the electron paramagnetic resonance ...

    Indian Academy of Sciences (India)

    Abstract. The electron paramagnetic resonance (EPR) parameters (the g factors, hy- perfine structure constants and the superhyperfine parameters) for the tetragonal Ir2+ centre in NaCl are theoretically investigated from the perturbation formulas of these parameters for a 5d7 ion in tetragonally elongated octahedra.