Integration process of theoretical courses with design studios in undergraduate education: Case studies of architecture and interior design studios

Directory of Open Access Journals (Sweden)

Ozmehmet Ecehan

2016-01-01

Full Text Available The formulations of studios are the most critical problem of design studies, because the foundation of further architectural education is based on these design studios. This paper focuses on discussions of studiobased design learning systems and curriculum developments on integral design studios that aims significant and innovative frameworks. In this context, integrated design studios are the newest approaches of architectural education. In this education system every studio has its own integral course. Integral courses give support to the design studios. This support can be either theoretical or practical. Knowledge that is related with the context of the design studio can be explained in this integrated course in some cases, in some cases as simulation program can be explained in some parts of the course. The support of the integral courses to the studios must be evaluated deeply. This paper presents the positive parts and negative parts of the new integral studio approach in this context. By this way, strong and weak parts of this education system is put forward.

Cyclotron tubes - a theoretical study

Energy Technology Data Exchange (ETDEWEB)

Mourier, G

1980-12-01

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

Using Interpretive Qualitative Case Studies for Exploratory Research in Doctoral Studies: A Case of Information Systems Research in Small and Medium Enterprises

Directory of Open Access Journals (Sweden)

Shana R. Ponelis

2015-12-01

Full Text Available The use of the case study method has gained mainstream acceptance in both entrepreneurship and information systems research to develop conceptual and theoretical models that are novel, yet grounded in the literature. In spite of many texts on the case study method and the growing acceptance and use of thereof, there are relatively few examples that discuss how to apply the case study method. The purpose of this paper is to provide such an example by drawing upon the author’s research for her doctoral dissertation in the discipline of information systems and entrepreneurship research. First, the use of qualitative case studies as research method is motivated, then the importance of the research paradigm is discussed and the interpretivist research paradigm justified followed by a detailed discussion of the research design. The paper concludes with a discussion of lessons learned and recommendations based on the author’s experience with using the case study method. The practical yet theoretically founded approach of this paper may be useful to doctoral students who are considering or using the case study method. Equally, supervisors and others involved in research training may find this paper useful as an illustrative example of the case study method for their students.

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.

EFFICIENCY OF ISO 9001 IN PORTUGAL: A QUALITATIVE STUDY FROM A HOLISTIC THEORETICAL PERSPECTIVE

Directory of Open Access Journals (Sweden)

Alcina Dias

2013-03-01

Full Text Available The purpose of this paper is to analy se the efficiency of ISO 9001 from a holistic theoretical approach where the Contingency theory, the Institutional theory and the Resources-Based View are integrated. The study was carried out in companies of different sectors of activity in Portugal, based on a qualitative methodology (interviews. The fact of the interviews having been undertaken under an ISO 9001 structure made it easier for companies to grasp the issues under investigation. An ISO 9001 characterisation was carried out on a theoretical framework approach and findings point out efficiency gains and revealed that the absence of ISO 9001 would work as a competitive disadvantage. The contribution of this research aims to reinforce the state of art as concerns the theoretical scope of analysis of these issues enriched by the case study achievement.

IASI's sensitivity to near-surface carbon monoxide (CO): Theoretical analyses and retrievals on test cases

Science.gov (United States)

Bauduin, Sophie; Clarisse, Lieven; Theunissen, Michael; George, Maya; Hurtmans, Daniel; Clerbaux, Cathy; Coheur, Pierre-François

2017-03-01

Separating concentrations of carbon monoxide (CO) in the boundary layer from the rest of the atmosphere with nadir satellite measurements is of particular importance to differentiate emission from transport. Although thermal infrared (TIR) satellite sounders are considered to have limited sensitivity to the composition of the near-surface atmosphere, previous studies show that they can provide information on CO close to the ground in case of high thermal contrast. In this work we investigate the capability of IASI (Infrared Atmospheric Sounding Interferometer) to retrieve near-surface CO concentrations, and we quantitatively assess the influence of thermal contrast on such retrievals. We present a 3-part analysis, which relies on both theoretical forward simulations and retrievals on real data, performed for a large range of negative and positive thermal contrast situations. First, we derive theoretically the IASI detection threshold of CO enhancement in the boundary layer, and we assess its dependence on thermal contrast. Then, using the optimal estimation formalism, we quantify the role of thermal contrast on the error budget and information content of near-surface CO retrievals. We demonstrate that, contrary to what is usually accepted, large negative thermal contrast values (ground cooler than air) lead to a better decorrelation between CO concentrations in the low and the high troposphere than large positive thermal contrast (ground warmer than the air). In the last part of the paper we use Mexico City and Barrow as test cases to contrast our theoretical predictions with real retrievals, and to assess the accuracy of IASI surface CO retrievals through comparisons to ground-based in-situ measurements.

Case Study on Logistics Performance

Directory of Open Access Journals (Sweden)

Shahryar Sorooshian

2013-05-01

Full Text Available The paper presents research carried out at a medium‐size manufacturing organization in east Asia. The study tries to highlight the importance of supply chain management; specifically, our aim for this study is to understand logistics and performance measurement in the logistics and supply chain, and we include a theoretical discussion of online data collected and a case study of the logistic performance of a real organization. The study also examines the performance of the selected company, identifies the problems and provides recommendations for improvements. This study can be a guide for business advisers and those interested in analysing company performance, especially from a logistics viewpoint. We also suggest the methodology of this case study for those who want to have a better understanding of a business environment before starting their own business, or for benchmarking practice during strategic planning.

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...

A theoretical and experimental EPFM study of cracks emanating from a hole

International Nuclear Information System (INIS)

Broekhoven, M.J.G.

1978-01-01

Results are presented of a combined theoretical and experimental study on the onset of crack extension in the EPFM regime for through cracks emanating from a circular hole in a plate under tensile load, with emphasis on the applicability of the J-concept for predicting such extensions. This configuration was selected both because of its general importance and as a first approximation for a nozzle-to-vessel geometry. Theoretical investigations consisted of elastic-plastic finite element computations both for 3-point bend specimens and for plate geometry. J values were calculated using the contour-integral definition for J, and by the method of virtual crack extension. The applicability of simplified analytical approximations for J was also investigated. COD data were derived from finite element computed displacements. Experimental investigations included Jsub(Ic) tests on a series of bend specimens and crack extensions tests on a series of cracked perforated plate models. For practical reasons aluminium 2024-T 351 was selected as a suitable model material within the aims of the study. Onset of crack extension was determined by the heat-tinting procedure throughout the experiments, in some cases supplemented by fractographic investigations. The various theoretical solutions and experimental observations were compared and a number of conclusions were drawn. (author)

Theoretical and experimental study of microstrip-to-slot line uniplanar transition

Science.gov (United States)

Yook, Jong-Gwan; Dib, Nihad I.; Katehi, Linda P. B.; Simons, Rainee N.; Taub, Susan R.

1994-05-01

Recent advances in MMCI technology make it possible to construct transitions from CPW-to-microstrip with via hole, microstrip-to-slot line and microshield line-to-CPW all of which have potential applications in the feed network of antennas. In this study we investigate the characteristics of the microstrip-to-slot line uniplanar transition using the finite element methods (FEM) and finite difference time domain (FDTD) techniques, and compared the theoretical results with the measurements. In both cases, the results agree with the measurements within a few percent.

Thermodynamic analysis and theoretical study of a continuous operation solar-powered adsorption refrigeration system

International Nuclear Information System (INIS)

Hassan, H.Z.; Mohamad, A.A.

2013-01-01

Due to the intermittent nature of the solar radiation, the day-long continuous production of cold is a challenge for solar-driven adsorption cooling systems. In the present study, a developed solar-powered adsorption cooling system is introduced. The proposed system is able to produce cold continuously along the 24-h of the day. The theoretical thermodynamic operating cycle of the system is based on adsorption at constant temperature. Both the cooling system operating procedure as well as the theoretical thermodynamic cycle are described and explained. Moreover, a steady state differential thermodynamic analysis is performed for all components and processes of the introduced system. The analysis is based on the energy conservation principle and the equilibrium dynamics of the adsorption and desorption processes. The Dubinin–Astakhov adsorption equilibrium equation is used in this analysis. Furthermore, the thermodynamic properties of the refrigerant are calculated from its equation of state. The case studied represents a water chiller which uses activated carbon–methanol as the working pair. The chiller is found to produce a daily mass of 2.63 kg cold water at 0 °C from water at 25 °C per kg of adsorbent. Moreover, the proposed system attains a cooling coefficient of performance of 0.66. - Highlights: • A new continuous operation solar-driven adsorption refrigeration system is introduced. • The theoretical thermodynamic cycle is presented and explained. • A complete thermodynamic analysis is performed for all components and processes of the system. • Activated carbon–methanol is used as the working pair in the case study

Protein Engineering: Case Studies of Commercialized Engineered Products

Science.gov (United States)

Walsh, Gary

2007-01-01

Programs in biochemistry invariably encompass the principles of protein engineering. Students often display increased understanding and enthusiasm when theoretical concepts are underpinned by practical example. Herein are presented five case studies, each focusing upon a commercial protein product engineered to enhance its application-relevant…

Modalities of Generalization Through Single Case Studies.

Science.gov (United States)

Zittoun, Tania

2017-06-01

The value of case studies for theory building is still doubted in psychology. The paper argues for the importance of case studies and the possibility of generalizing from these for a specific sociocultural understanding of human development. The paper first clarifies the notion of abduction within case studies, drawing on pragmatists James and Peirce and expanding it with the work of Lewin, and argues that it is the core mechanism that allows generalization from case studies. The second section presents the possibility of generalizing from individual single case studies, for which not only the subjective perspective, but also the dynamics by which the social and cultural environment guide and enable the person's development, have to be accounted for. The third section elaborates the question of institutional case studies, where the challenge is to account both for institutional dynamics, and for persons' trajectories within; this is exemplified with an ongoing study on the process of obtaining citizenship in Switzerland. The paper briefly concludes by highlighting two possible implications of the paper, one concerning the process of theoretical reasoning, the other, the fact that sociocultural psychology could itself be seen as an institution in-the-making.

Theoretical Semi-Empirical AM1 studies of Schiff Bases

International Nuclear Information System (INIS)

Arora, K.; Burman, K.

2005-01-01

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

Theoretical and experimental studies of heavy liquid metal thermal hydraulics. Proceedings of a technical meeting

International Nuclear Information System (INIS)

2006-10-01

Through the Nuclear Energy Department's Technical Working Group on Fast Reactors (TWG-FR), the IAEA provides a forum for exchange of information on national programmes, collaborative assessments, knowledge preservation, and cooperative research in areas agreed by the Member States with fast reactor and partitioning and transmutation development programmes (e.g. accelerator driven systems (ADS)). Trends in advanced fast reactor and ADS designs and technology development are periodically summarized in status reports, symposia, and seminar proceedings prepared by the IAEA to provide all interested IAEA Member States with balanced and objective information. The use of heavy liquid metals (HLM) is rapidly diffusing in different research and industrial fields. The detailed knowledge of the basic thermal hydraulics phenomena associated with their use is a necessary step for the development of the numerical codes to be used in the engineering design of HLM components. This is particularly true in the case of lead or lead-bismuth eutectic alloy cooled fast reactors, high power particle beam targets and in the case of the cooling of accelerator driven sub-critical cores where the use of computational fluid dynamic (CFD) design codes is mandatory. Periodic information exchange within the frame of the TWG-FR has lead to the conclusion that the experience in HLM thermal fluid dynamics with regard to both the theoretical/numerical and experimental fields was limited and somehow dispersed. This is the case, e.g. when considering turbulent exchange phenomena, free-surface problems, and two-phase flows. Consequently, Member States representatives participating in the 35th Annual Meeting of the TWG-FR (Karlsruhe, Germany, 22-26 April 2002) recommended holding a technical meeting (TM) on Theoretical and Experimental Studies of Heavy Liquid Metal Thermal Hydraulics. Following this recommendation, the IAEA has convened the Technical Meeting on Theoretical and Experimental Studies of

Theoretical study of molecular vibration and Application to linear triatomic molecules: case of OCS

International Nuclear Information System (INIS)

Andrianavalomahefa, A.

2014-01-01

Our aim is to give a theoretical approach to the calculation of vibrational energy levels of polyatomic molecules. By using matrix calculation, we have to solve an eigenvalue equation that gives normal vibration frequencies of the system. A basis change introduces normal coordinates of vibration, which diagonalize the Hamiltonian. The harmonic approximation gives a rough evaluation of parameters which describe the system. Then, we introduce nonlinear terms to take into account the anharmonicity of interatomic bounds. Morse oscillator gives good approximation for diatomic molecules. We consider cubic and quartic potential terms for polyatomic molecules. We treat the problem both in classical and quantum approach. The results thus obtained are applied to study longitudinal vibration of carbonyl sulfide. [fr

A combined experimental and theoretical study

Indian Academy of Sciences (India)

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

Dutch Case Studies Project in Chaplaincy Care : A description and theoretical explanation of the format en procedures

NARCIS (Netherlands)

Korver, Sjaak; Walton, Martin N.

2017-01-01

The recent surge of case studies in chaplaincy care raises challenges on the comparability of case studies and the degree to which they elucidate the relation between theory and practice. The Dutch Case Studies Project (CSP) addresses these and other issues by use of a set format and procedure and

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

Phosphonic drugs: Experimental and theoretical spectroscopic studies of fosfomycin

Science.gov (United States)

Chruszcz-Lipska, Katarzyna; Zborowski, Krzysztof K.; Podstawka-Proniewicz, Edyta; Liu, Shaoxuan; Xu, Yizhuang; Proniewicz, Leonard M.

2011-02-01

pH and time-dependant changes of fosfomycin molecular structure in an aqueous solution are studied by Raman, NMR, and generalized 2D correlation spectroscopies. Interpretation of the experimental spectra is based on the assumption of formation of different species running on applied physicochemical conditions. Geometries of all possible structures were entirely optimized with the 6-311++G(2df,p) basis set at the B3LYP theoretical level using procedures implemented in the Gaussian '03 set of programs. Harmonic frequency calculations verified the nature of the studied structures and allowed to simulate obtained Raman spectra. The theoretical NMR shielding was calculated using the GIAO method at the same computational level. In addition, in some cases PCM model was used to monitor the influence of water molecules on the NMR spectra. It is shown that in the pH range of 1-2 of fosfomycin aqueous solution oxirane ring is open sequent to nucleophilic attack and forms 1,2-dihydroxyphosphonic acid with small content of its monodeprotonated species. On the other hand, in pH 7 and higher it appears either as 1,2-epoxypropylphosphonic or 1,2-dihydroxyphosphonic dianion depending upon whether hydrolysis took place or not. It is also discussed that Raman marker bands originating from the individual species of fosfomycin can be used to detect and/or to monitor this antibiotic in an aqueous medium (for example urine samples). Hence, depending upon the structure found in urine one can tell about metabolic processes of this antibiotic in the body.

The Extended Likeability Framework: A Theoretical Framework for and a Practical Case of Designing Likeable Media Applications for Preschoolers

Directory of Open Access Journals (Sweden)

Vero vanden Abeele

2008-01-01

Full Text Available A theoretical framework and practical case for designing likeable interactive media applications for preschoolers in the home environment are introduced. First, we elaborate on the theoretical framework. We introduce the uses and gratifications paradigm (U&G. We argue that U&G is a good approach to researching likeability of media applications. Next, we complete the U&G framework with expectancy-value (EV theory. EV theory helps us move from theoretical insights to concrete design guidelines. Together, the U&G framework and the EV model form the foundation of our extended likeability framework for the design and evaluation of interactive media applications, for preschoolers in the home environment. Finally, we demonstrate a practical case of our extended likeability framework via the research project CuTI. The CuTI project aims at revealing those particular user gratifications and design attributes that are important to support playful behaviour and fun activities of preschoolers in the home environment.

[Clinical decision making: Fostering critical thinking in the nursing diagnostic process through case studies].

Science.gov (United States)

Müller-Staub, Maria; Stuker-Studer, Ursula

2006-10-01

Case studies, based on actual patients' situations, provide a method of clinical decision making to foster critical thinking in nurses. This paper describes the method and process of group case studies applied in continuous education settings. This method bases on Balints' case supervision and was further developed and combined with the nursing diagnostic process. A case study contains different phases: Pre-phase, selection phase, case delineation and case work. The case provider narratively tells the situation of a patient. This allows the group to analyze and cluster signs and symptoms, to state nursing diagnoses and to derive nursing interventions. Results of the case study are validated by applying the theoretical background and critical appraisal of the case provider. Learning effects of the case studies were evaluated by means of qualitative questionnaires and analyzed according to Mayring. Findings revealed the following categories: a) Patients' problems are perceived in a patient centred way, accurate nursing diagnoses are stated and effective nursing interventions implemented. b) Professional nursing tasks are more purposefully perceived and named more precise. c) Professional nursing relationship, communication and respectful behaviour with patients were perceived in differentiated ways. The theoretical framework is described in the paper "Clinical decision making and critical thinking in the nursing diagnostic process". (Müller-Staub, 2006).

Identity Dystopias, Empire Framing and Theoretical Hegemonies: Two Case Studies, India and Ireland

Science.gov (United States)

Allender, Tim; O'Donoghue, Tom

2014-01-01

This article explores the connections between official contemporary identity formation and colonial pasts. Using the case studies of India and Ireland the article explores how different traditions of theorisation are powerful in these formations. India and Ireland were two colonial domains that had many linkages outside the ambit of the British.…

Theoretical study of the binding nature of glassy carbon with nickel(II) phthalocyanine complexes

International Nuclear Information System (INIS)

Cortez, Luis; Berrios, Cristhian; Yanez, Mauricio; Cardenas-Jiron, Gloria I.

2009-01-01

A theoretical study at the semiempirical RHF/PM3(tm) level (tm: transition metal) of the binding nature between a glassy carbon (GC) cluster and a nickel(II) complex (nickel(II) phthalocyanine NiPc, nickel(II) tetrasulphophthalocyanine NiTSPc) was performed. Three types of interactions for GC...NiPc (NiTSPc) were studied: (a) through an oxo (O) bridge, (b) through an hydroxo (OH) bridge, and (c) non-bridge. One layer (NiPc, NiTSPc) and two layers (NiPc...NiPc) of complex were considered. The binding energy calculated showed that in both cases NiPc and NiTSPc, the oxo structures are more stable than the hydroxo ones, and than the non-bridge systems. Charge analysis (NAO) predicted that GC gained more electrons in an oxo structure than in the analogues hydroxo. The theoretical results showed an agreement with the experimental data available, an oxo binding between GC and a nickel complex (NiPc, NiTSPc) in aqueous alkaline solutions is formed.

Theoretical study of the binding nature of glassy carbon with nickel(II) phthalocyanine complexes

Energy Technology Data Exchange (ETDEWEB)

Cortez, Luis [Laboratorio de Quimica Teorica, Facultad de Quimica y Biologia, Universidad de Santiago de Chile (USACH), Casilla 40, Correo 33, Santiago (Chile); Berrios, Cristhian [Laboratorio de Electrocatalisis, Facultad de Quimica y Biologia, Universidad de Santiago de Chile (USACH), Casilla 40, Correo 33, Santiago (Chile); Yanez, Mauricio [Laboratorio de Recursos Renovables, Centro de Biotecnologia, Universidad de Concepcion, Casilla-160 C, Concepcion (Chile); Cardenas-Jiron, Gloria I., E-mail: gloria.cardenas@usach.cl [Laboratorio de Quimica Teorica, Facultad de Quimica y Biologia, Universidad de Santiago de Chile (USACH), Casilla 40, Correo 33, Santiago (Chile)

2009-11-26

A theoretical study at the semiempirical RHF/PM3(tm) level (tm: transition metal) of the binding nature between a glassy carbon (GC) cluster and a nickel(II) complex (nickel(II) phthalocyanine NiPc, nickel(II) tetrasulphophthalocyanine NiTSPc) was performed. Three types of interactions for GC...NiPc (NiTSPc) were studied: (a) through an oxo (O) bridge, (b) through an hydroxo (OH) bridge, and (c) non-bridge. One layer (NiPc, NiTSPc) and two layers (NiPc...NiPc) of complex were considered. The binding energy calculated showed that in both cases NiPc and NiTSPc, the oxo structures are more stable than the hydroxo ones, and than the non-bridge systems. Charge analysis (NAO) predicted that GC gained more electrons in an oxo structure than in the analogues hydroxo. The theoretical results showed an agreement with the experimental data available, an oxo binding between GC and a nickel complex (NiPc, NiTSPc) in aqueous alkaline solutions is formed.

Theoretical interpretation of a case study: Acoustic resonance in an archaeological site

Science.gov (United States)

Carrera, Jorge; Beristain, Sergio

2002-11-01

It is well-known that the stairways of some Mexican archaeological sites, like Chichen-Itza or Teotihuacan, present an interesting sound reflection and resonance phenomenon which causes a special audible effect. In this paper, mathematical modeling of this situation is presented, and the practical phenomenon is discussed from a theoretical standpoint. More than an end in itself, the idea is, once this validated model is obtained, to use the results for the analysis of a more extensive architectural environment in order to establish whether this kind of phenomenon would have been purposely introduced in the design of the site. This will be presented in future publications.

Protonation of caffeine: A theoretical and experimental study

Energy Technology Data Exchange (ETDEWEB)

Bahrami, Hamed [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Tabrizchi, Mahmoud, E-mail: m-tabriz@cc.iut.ac.ir [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Farrokhpour, Hossein [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

2013-03-29

Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M{sup +} ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule.

Protonation of caffeine: A theoretical and experimental study

International Nuclear Information System (INIS)

Bahrami, Hamed; Tabrizchi, Mahmoud; Farrokhpour, Hossein

2013-01-01

Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M + ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule

Theoretical and experimental study of non-monotonous effects

International Nuclear Information System (INIS)

Delforge, J.

1977-01-01

In recent years, the study of the effects of low dose rates has expanded considerably, especially in connection with current problems concerning the environment and health physics. After having made a precise definition of the different types of non-monotonous effect which may be encountered, for each the main experimental results known are indicated, as well as the principal consequences which may be expected. One example is the case of radiotherapy, where there is a chance of finding irradiation conditions such that the ratio of destructive action on malignant cells to healthy cells is significantly improved. In the second part of the report, the appearance of these phenomena, especially at low dose rates are explained. For this purpose, the theory of transformation systems of P. Delattre is used as a theoretical framework. With the help of a specific example, it is shown that non-monotonous effects are frequently encountered, especially when the overall effect observed is actually the sum of several different elementary effects (e.g. in survival curves, where death may be due to several different causes), or when the objects studied possess inherent kinetics not limited to restoration phenomena alone (e.g. cellular cycle) [fr

Theoretical issues in PDF determination and associated uncertainties

CERN Document Server

Ball, Richard D.; Del Debbio, Luigi; Forte, Stefano; Guffanti, Alberto; Rojo, Juan; Ubiali, Maria

2013-01-01

We study several sources of theoretical uncertainty in the determination of parton distributions (PDFs) which may affect current PDF sets used for precision physics at the Large Hadron Collider, and explain discrepancies between them. We consider in particular the use of fixed-flavor versus variable-flavor number renormalization schemes, higher twist corrections, and nuclear corrections. We perform our study in the framework of the NNPDF2.3 global PDF determination, by quantifying in each case the impact of different theoretical assumptions on the output PDFs. We also study in each case the implications for benchmark cross sections at the LHC. We find that the impact in a global fit of a fixed-flavor number scheme is substantial, the impact of higher twists is negligible, and the impact of nuclear corrections is moderate and circumscribed.

Integrating Cross-Case Analyses and Process Tracing in Set-Theoretic Research: Strategies and Parameters of Debate

Science.gov (United States)

Beach, Derek; Rohlfing, Ingo

2018-01-01

In recent years, there has been increasing interest in the combination of two methods on the basis of set theory. In our introduction and this special issue, we focus on two variants of cross-case set-theoretic methods--"qualitative comparative analysis" (QCA) and typological theory (TT)--and their combination with process tracing (PT).…

Surfactants, interfaces and pores : a theoretical study

NARCIS (Netherlands)

Huinink, H.

1998-01-01

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

Theoretical Studies of Small-System Thermodynamics in Energetic Materials

Science.gov (United States)

2016-01-06

SECURITY CLASSIFICATION OF: This is a comprehensive theoretical research program to investigate the fundamental principles of small-system thermodynamics ...a.k.a. nanothermodynamics). The proposed work is motivated by our desire to better understand the fundamental dynamics and thermodynamics of...for Public Release; Distribution Unlimited Final Report: Theoretical Studies of Small-System Thermodynamics in Energetic Materials The views, opinions

School Leadership and Administration: Important Concepts, Case Studies and Simulations

Science.gov (United States)

Gorton, Richard; Alston, Judy; Snowden, Petra

2006-01-01

This text helps prospective and experienced principals, administrators, and supervisors increase their knowledge and skills through concepts, case-studies, and simulations. This book contains the following two parts and fifteen chapters. Part I presents important theoretical concepts and research findings that can improve educators'…

EXPERIMENT AL AND THEORETICAL STUDY OF PRECAST ...

African Journals Online (AJOL)

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

Photophysical properties of chirality: Experimental and theoretical studies of (R)- and (S)-binaphthol derivatives as a prototype case

International Nuclear Information System (INIS)

Tsuboi, Taiju; An, Zhong-fu; Nakai, Yosuke; Yin, Jun; Chen, Run-feng; Shi, Hui-fang; Huang, Wei

2013-01-01

Highlights: ► The effect of chirality on photophysical properties was investigated. ► The same photophysics of enantiomers was observed in solutions. ► But different photoluminescent efficiency and lifetime were found in neat film. ► The different symmetry and formation probability of dimmers may be the main reason. ► The joint experimental and theoretical study explains these differences well. - Abstract: The key monomers of binaphthol-based chiral materials, (R)- and (S)- 6,6′-dibromo-2,2′-bis(octyloxy)- 1,1′-binaphthyl (R–M and S–M, respectively), were synthesized and characterized by UV–vis absorption spectra, circular dichroism (CD) spectra, photoluminescence (PL) lifetime, PL quantum efficiency at room temperature, together with PL spectra at various temperatures between 12 K and 296 K in both film and solution. The photophysical properties of R–M and S–M were investigated in detail with a joint experimental and theoretical study, in order to reveal the effects of chirality on the π-conjugated chiral systems. Higher photoluminescent quantum efficiency and better PL spectra purity in solid film of R–M were observed and discussed

Conscientization and Third Space: A Case Study of Tunisian Activism

Science.gov (United States)

Boumlik, Habiba; Schwartz, Joni

2016-01-01

This case study examines, "Al Bawsala," a nongovernmental organization and a female cyber social activist, Amira Yahyaoui, in the aftermath of Tunisia's Jasmine Revolution through the lens of adult education. The theoretical frameworks of conscientization and third space are employed to describe Yahyaoui's development of the watchdog…

Theoretical study on the photoionization of metanal and fluoromethane

International Nuclear Information System (INIS)

Tanaka, Helder Kenji; Silveira, Tiago Rodrigues; Nascimento, Edmar Moraes do

2011-01-01

Full text. The photoionization study of biological interest molecules has increased last few years due to the basic interest in the fundamental nature of electronic structures and scattering molecular processes. It was considered to this study hypothesis in that simple molecules would give birth to more complex molecules through photochemical reactions induced by interstellar radiation. This paper shows a theoretical study over photoionization of the valence shells of some biological interest molecules. Cross sections and parameters of asymmetry are set due to ab initio, using the continued fractions method to determine the scattering matrix and wave functions of the continuum. Results will be presented to the valence shell photoionization of formaldehyde (CH 2 O) and fluoromethane (CH 3 F). This work is part of a larger project to study of biological interest molecules, motivated by the hypothesis that based on these simple molecules, physicochemical processes may have given origin to more complex molecules responsible for the production of terrestrial life. The formamide, for example, has been subject of interest between researchers as a possible material from which can be created RNA bases. In this case has been studied the production of guanine from the formamide heated while irradiated by ultraviolet radiation

Single case studies as a means for developing psychological theories.

Science.gov (United States)

Skvortsov, Anatoliy; Romashchuk, Alexander

2015-12-01

The Socratic function of single case studies (SCSs) is described in its relation to the problem of scientific theory development. Contrary to the traditional point of view, the single case study is not a demonstration or verification of theoretical concepts, but a method of their generation and opportunity for analysis of their interrelations. Considering the case study from the perspective of the Socratic function brings to light important conclusions about the ecological validity of theory development. The essential features of the Socratic function are illustrated using the example of the famous Romantic Essays of Alexandr Luria. © 2015 The Institute of Psychology, Chinese Academy of Sciences and Wiley Publishing Asia Pty Ltd.

Theoretical study of asymmetric super-rotors: Alignment and orientation

Science.gov (United States)

Omiste, Juan J.

2018-02-01

We report a theoretical study of the optical centrifuge acceleration of an asymmetric top molecule interacting with an electric static field by solving the time-dependent Schrödinger equation in the rigid rotor approximation. A detailed analysis of the mixing of the angular momentum in both the molecular and the laboratory fixed frames allows us to deepen the understanding of the main features of the acceleration process, for instance, the effective angular frequency of the molecule at the end of the pulse. For the case of the SO2 molecular super-rotor, we show numerically that it rotates around one internal axis and that its dynamics is confined to the plane defined by the polarization axis of the laser, in agreement with experimental findings. Furthermore, we consider the orientation patterns induced by the dc field, showing the characteristics of their structure as a function of the strength of the static field and the initial configuration of the fields.

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.

An iterative approach to case study analysis: insights from qualitative analysis of quantitative inconsistencies

Directory of Open Access Journals (Sweden)

Allain J Barnett

2016-09-01

Full Text Available Large-N comparative studies have helped common pool resource scholars gain general insights into the factors that influence collective action and governance outcomes. However, these studies are often limited by missing data, and suffer from the methodological limitation that important information is lost when we reduce textual information to quantitative data. This study was motivated by nine case studies that appeared to be inconsistent with the expectation that the presence of Ostrom’s Design Principles increases the likelihood of successful common pool resource governance. These cases highlight the limitations of coding and analysing Large-N case studies. We examine two issues: 1 the challenge of missing data and 2 potential approaches that rely on context (which is often lost in the coding process to address inconsistencies between empirical observations theoretical predictions.  For the latter, we conduct a post-hoc qualitative analysis of a large-N comparative study to explore 2 types of inconsistencies: 1 cases where evidence for nearly all design principles was found, but available evidence led to the assessment that the CPR system was unsuccessful and 2 cases where the CPR system was deemed successful despite finding limited or no evidence for design principles.  We describe inherent challenges to large-N comparative analysis to coding complex and dynamically changing common pool resource systems for the presence or absence of design principles and the determination of “success”.  Finally, we illustrate how, in some cases, our qualitative analysis revealed that the identity of absent design principles explained inconsistencies hence de-facto reconciling such apparent inconsistencies with theoretical predictions.  This analysis demonstrates the value of combining quantitative and qualitative analysis, and using mixed-methods approaches iteratively to build comprehensive methodological and theoretical approaches to understanding

EFL Student-Teachers' Identity Construction: A Case Study in Chile

Science.gov (United States)

Salinas, Dánisa; Ayala, Maximiliano

2018-01-01

The objective of this study is to explore the process of professional identity construction of two English as a foreign language student-teachers from a sociocultural theoretical lens. A qualitative case study was conducted through personal narratives, semi-structured interviews, and a focus group. The data were analyzed using a grounded theory…

Rethinking a Case Study Method in Educational Research: A Comparative Analysis Method in Qualitative Research

Science.gov (United States)

Murakami, Yusuke

2013-01-01

There are two types of qualitative research that analyze a small number of cases or a single case: idiographic differentiation and nomothetic/generalization. There are few case studies of generalization. This is because theoretical inclination is weak in the field of education, and the binary framework of quantitative versus qualitative research…

Sibutramine characterization and solubility, a theoretical study

Science.gov (United States)

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

2013-04-01

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

Case Studies Approach in Tourism Destination Branding Research

Directory of Open Access Journals (Sweden)

Adeyinka-Ojo S.F.

2014-01-01

Full Text Available A review of literature indicates that there are different types of qualitative research methods such as action research, content analysis, ethnography, grounded theory, historical analysis, phenomenology and case study. However, which approach is to be used depends on several factors such as the nature and objectives of the research. The aim of this paper is to focus on the research methodology aspects of applying case study as a research approach and its relevance in tourism destination branding research specifically on a single case study (SCS context. There are arguments that the SCS is a weak research strategy. Some of the potentials or shortcomings highlighted in the literature include the primitive nature of SCS, flexibility of sample technique, data collection method and data analysis. Others include lack of rigour, reliability, validity, credibility of findings and generalisation. This paper has adopted content analysis of the literature on tourism destination branding. Findings indicate that the quality of SCS can be verified using specific case study tactics for four design tests such as validity (construct, internal and external; and reliability using the case study protocol. Theoretical implication suggests that SCS is an empirical enquiry use to understand complex phenomena and favoured by practitioners.

Theoretical study for solar air pretreatment collector/regenerator

Energy Technology Data Exchange (ETDEWEB)

Peng Donggen; Zhang Xiaosong; Yin Yonggao [School of Energy and Environment, Southeast Univ., Nanjing (China)

2008-07-01

A new liquid regeneration equipment - solar air pretreatment collector/regenerator for liquid desiccant cooling system is put forward in this paper, which is preferable to solution regeneration in hot and moist climate in South China. The equipment can achieve liquid regeneration in lower temperature. When the solution and the air are in ''match'' state in collector/ regenerator, a match air to salt mass ratio ASMR* is found by theoretical study in which there is the largest theoretical storage capacity SC{sub max}. After two new concepts of the effective solution proportion (EPS) and the effective storage capacity (ESC) are defined, it is found by theoretical calculation that when ESP drops from 100% to 67%, ESC raises lowly, not drops and liquid outlet concentration C{sub str} {sub sol} increases from 40% to 49% in which its increment totals to 90%. All these data explain fully that air pretreatment liquid regeneration equipment enables to improve the performance of liquid desiccant cooling system. (orig.)

Constructing Affective Security in Children: Case Study in Educational Environments

Science.gov (United States)

Margenat, Montserrat; Dalmau, Mariona; Vendrell, Roser; Ibarz, Lidia

2016-01-01

In line with Bowlby's theoretical approach, where he established a relationship between the quality of experiences lived in the first relationships and subsequent behaviours, we are carrying out a case study research project. The objectives are as follows: (1) To describe interactive patterns as observed in natural contexts and focusing on the…

Toward a Theoretical Framework for Studying Climate Change Policies: Insights from the Case Study of Singapore

OpenAIRE

Ai Sian Ng; May O. Lwin; Augustine Pang

2017-01-01

The world decided in December 2015 to take actions to reduce global warming. To contribute toward this goal, this research examines possible policy levers for inclusion in the climate change ratification plan. A case study of the measures taken by the Republic of Singapore, a low-lying 719.2 km2 island without natural resources in Asia, is conducted. Being vulnerable to climate change impact and yet having to balance her people’s needs and economic progress with limited resources, the measure...

Theoretical orientations and practical applications of psychological ownership

NARCIS (Netherlands)

Olckers, C.; van Zyl, L.; van der Vaart, L.

2017-01-01

This book shares the theoretical advancements that have been made regarding psychological ownership since the development of the construct and specifically the practical applications within multi-cultural and cross-cultural environments. Enriched by empirical data and case studies by subject

Case Study: Testing with Case Studies

Science.gov (United States)

Herreid, Clyde Freeman

2015-01-01

This column provides original articles on innovations in case study teaching, assessment of the method, as well as case studies with teaching notes. This month's issue discusses using case studies to test for knowledge or lessons learned.

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.

Theoretical spectroscopic study of the conjugate microcystin-LR-europium cryptate

Energy Technology Data Exchange (ETDEWEB)

Santos, Julio G.; Dutra, Jose Diogo L.; Costa Junior, Nivan B. da; Freire, Ricardo O., E-mail: rfreire@ufs.br [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Departamento de Quimica; Alves Junior, Severino; Sa, Gilberto F. de [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Departamento de Quimica Fundamental

2013-02-15

In this work, theoretical tools were used to study spectroscopic properties of the conjugate microcystin-LR-europium cryptate. The Sparkle/AM1 model was applied to predict the geometry of the system and the INDO/S-CIS model was used to calculate the excited state energies. Based on the Judd-Ofelt theory, the intensity parameters were predicted and a theoretical model based on the theory of the 4f-4f transitions was applied to calculate energy transfer and backtransfer rates, radiative and non-radiative decay rates, quantum efficiency and quantum yield. A detailed study of the luminescent properties of the conjugate Microcystin-LR-europium cryptate was carried out. The results show that the theoretical quantum yield of luminescence of 23% is in good agreement with the experimental value published. This fact suggests that this theoretical protocol can be used to design new systems in order to improve their luminescence properties. The results suggest that this luminescent system may be a good conjugate for using in assay ELISA for detection by luminescence of the Microcystin-LR in water. (author)

FDA-EPA Public Health Guidance on Fish Consumption: A Case Study on Informal Interagency Cooperation in "Shared Regulatory Space".

Science.gov (United States)

Holden, Mark

2015-01-01

This article is a case study on how administrative agencies interact with each other in cases of shared regulatory jurisdiction. The theoretical literature on the topic of overlapping jurisdiction both (1) makes predictions about how agencies are expected to behave when they share jurisdiction, and (2) in recent iterations argues that overlapping jurisdiction can confer unique policymaking benefits. Through the lens of that theoretical literature, this article examines the relations between the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) regarding the public health risks posed by mercury in fish. It concludes that the FDA-EPA case study (1) corroborates the extant theoretical accounts of how agencies behave in cases of overlapping jurisdiction, (2) supports the conclusion of the recent scholarship that overlapping jurisdiction can confer unique policy benefits, and (3) reveals a few wrinkles not given adequate treatment in the extant literature.

Theoretical study of turbulent channel flow - Bulk properties, pressure fluctuations, and propagation of electromagnetic waves

Science.gov (United States)

Canuto, V. M.; Hartke, G. J.; Battaglia, A.; Chasnov, J.; Albrecht, G. F.

1990-01-01

In this paper, we apply two theoretical turbulence models, DIA and the recent GISS model, to study properties of a turbulent channel flow. Both models provide a turbulent kinetic energy spectral function E(k) as the solution of a non-linear equation; the two models employ the same source function but different closures. The source function is characterized by a rate n sub s (k) which is derived from the complex eigenvalues of the Orr-Sommerfeld (OS) equation in which the basic flow is taken to be of a Poiseuille type. The O-S equation is solved for a variety of Reynolds numbers corresponding to available experimental data. A physical argument is presented whereby the central line velocity characterizing the basic flow, U0 sup L, is not to be identified with the U0 appearing in the experimental Reynolds number. The theoretical results are compared with two types of experimental data: (1) turbulence bulk properties, and (2) properties that depend strongly on the structure of the turbulence spectrum at low wave numbers. The only existing analytical expression for Pi (k) cannot be used in the present case because it applies to the case of a flat plate, not a finite channel.

For a new dialogue between theoretical and empirical studies in evo-devo

Directory of Open Access Journals (Sweden)

Giuseppe eFusco

2015-08-01

Full Text Available Despite its potentially broad scope, current evo-devo research is largely dominated by empirical developmental studies, whereas comparably little role is played by theoretical research. I argue that this represents an obstacle to a wider appreciation of evo-devo and its integration within a more comprehensive evolutionary theory, and that this situation is causally linked to a limited exchange between theoretical and experimental studies in evo-devo. I discuss some features of current theoretical work in evo-devo, highlighting some possibly concurring impediments to an effective dialogue with experimental studies. Finally, I advance two suggestions for enhancing fruitful cross-fertilization between theoretical and empirical studies in evo-devo: i to broaden the scope of evo-devo beyond its current conceptualization, teaming up with other variational approaches to the study of evolution, and ii to develop more effective forms of scientific interaction and communication.

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.

Contribution to the theoretical study of order-disorder phenomena in the electrical properties of alloys (1963)

International Nuclear Information System (INIS)

Beal, M.T.

1963-01-01

We have study theoretically the ordering of alloys and its influence an electrical resistivity. We have looked at the cases of concentrated, non magnetic alloys such as Cu Zn β or Cu 3 Au and of diluted, magnetic alloys such as noble matrix with rare earth impurities. In both cases, a simple method of molecular field with nearest neighbour interactions is used. Scattering cross sections are calculated with free electrons and Born approximation. The electrical properties are described with a good accuracy by single diffusions on each center (long range order). But some anomalies near to the ordering temperature are caused by double diffusions on pairs of interacting atoms or spins (local order). (author) [fr

Theoretical studies on core-level spectra of solids

International Nuclear Information System (INIS)

Kotani, Akio

1995-01-01

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

Experimental and theoretical study of Co sorption in clay montmorillonites

Science.gov (United States)

Gil Rebaza, A. V.; Montes, M. L.; Taylor, M. A.; Errico, L. A.; Alonso, R. E.

2018-03-01

Montmorillonite (MMT) clays are 2:1 layered structures which in natural state may allocate different hydrated cations such as M-nH2O (M = Na, Ca, Fe, etc) in its interlayer space. Depending on the capability for ion sorption, these materials are interesting for environmental remediation. In this work we experimentally study the Co sorption in a natural Na-MMT using UV-visible spectrometry and XRD on semi-oriented samples, and then analyze the sorption ability of this clay by means of ab initio calculation performed on pristine MMT. The structural properties of Na-MMT and Co-adsorbed MMT, and the hyperfine parameters at different atomic sites were analyzed and compared with the experimental ones for the first, and for the case of the hyperfine parameters, presented for the first time for the last. The theoretical predictions based on total energy considerations confirm that Co incorporation replacing Na is energetically favorable. Also, the basal spacing d001 experimentally obtained is well reproduced.

Schooling's "Contribution" to Contemporary Violent Conflict: Review of Theoretical Ideas and Case Studies in the Field of Education and Conflict

Science.gov (United States)

Matsumoto, Mitsuko

2015-01-01

Some argue that the field of study of "education and conflict" has yet to be solidified since its emergence in the 1990s, partly due to the weak theory base. This article reviews the literature on the "contribution" of schooling in contemporary violent conflict, via three strands of theoretical ideas, to demonstrate the…

Resistance and Renewal in Theoretical Psychology

DEFF Research Database (Denmark)

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

Theoretical and Methodological Perspectives on Designing Video Studies of Interaction

Directory of Open Access Journals (Sweden)

Anna-Lena Rostvall

2005-12-01

Full Text Available In this article the authors discuss the theoretical basis for the methodological decisions made during the course of a Swedish research project on interaction and learning. The purpose is to discuss how different theories are applied at separate levels of the study. The study is structured on three levels, with separate sets of research questions and theoretical concepts. The levels reflect a close-up description, a systematic analysis, and an interpretation of how teachers and students act and interact. The data consist of 12 hours of video-recorded and transcribed music lessons from high school and college. Through a multidisciplinary theoretical framework, the general understanding of teaching and learning in terms of interaction can be widened. The authors also present a software tool developed to facilitate the processes of transcription and analysis of the video data.

Theoretical studies on the alpha α decay half-lives of hyper and normal isotopes of Po

Science.gov (United States)

Santhosh, K. P.; Nithya, C.

2018-03-01

The α decay half-lives of hyper and normal isotopes of Po nuclei are studied in the present work. The inclusion of Λ - N interaction changes the half-life for α decay. The theoretical predictions on the α decay half-lives of normal Po isotopes are compared with experimental results and are seen to be matching well with each other. The neutron shell closure at N = 126 is found to be the same for both normal and hypernuclei. The Geiger-Nuttal (G-N) law for α decay is unaltered in the case of hypernuclei. The hypernuclei will decay into normal nuclei by mesonic or non-mesonic decay modes. Since the half-lives of normal Po nuclei are well within the experimental limits, our theoretical results suggest experimental verification of the α emission from hyper Po nuclei in a cascade process.

Theoretical Study of 1,3-Dipolar Cycloadditions Regioselectivity of Benzyl Azide with Glycosyl-O Acetylene Using Density Functional Theory (DFT

Directory of Open Access Journals (Sweden)

Adib Ghaleb

2017-12-01

Full Text Available A theoretical study of 1,3-cycloaddition has been carried out using density functional theory (DFT methods at the B3LYP/6-31G* level. The regioselectivity of the reaction have been clarified through different theoretical approaches: Case of a Two-Center Process (Domingo approach, HSAB principle (Gazquez and Mendez approach, and the activation energy calculations. The analysis of results shows that the reaction takes place along concerted asynchronous mechanism and the isomer meta is favored, in agreement with the experiment results. DOI: http://dx.doi.org/10.17807/orbital.v9i5.1017 

Involving parents in cognitive-behavioral therapy for child anxiety problems: a case study

OpenAIRE

Siddaway, Andy P; Wood, Alex M; Cartwright-Hatton, Sam

2014-01-01

This case study examines how parents can be incorporated into all aspects of cognitive-behavioral therapy (CBT) for child anxiety problems. This is an important issue, because although there are strong theoretical and empirical reasons for incorporating parents into treatment, evidence from randomized controlled trials has so far been inconclusive about whether outcomes are improved by involving parents. This case study describes the clinical benefits of a balanced focus on parent and child f...

Strategy Formulation Process in Crisis Management : Volkswagen Case Study

OpenAIRE

Abuhajaj, Ayham; Lampis, George

2017-01-01

Aim: The aim of this study is to understand what strategies are used over time by a company facing a transgressional CSR crisis, in order to regain legitimacy, and towards which stakeholder group these strategies are directed. Methods: In order to achieve our aim, Qualitative case study based on secondary data published by Volkswagen as well as news articles were used to identify what strategies the company used over time. Results: To be able to answer our aim, different theoretical lense...

An in-depth analysis of theoretical frameworks for the study of care coordination

Directory of Open Access Journals (Sweden)

Sabine Van Houdt

2013-06-01

Full Text Available Introduction: Complex chronic conditions often require long-term care from various healthcare professionals. Thus, maintaining quality care requires care coordination. Concepts for the study of care coordination require clarification to develop, study and evaluate coordination strategies. In 2007, the Agency for Healthcare Research and Quality defined care coordination and proposed five theoretical frameworks for exploring care coordination. This study aimed to update current theoretical frameworks and clarify key concepts related to care coordination. Methods: We performed a literature review to update existing theoretical frameworks. An in-depth analysis of these theoretical frameworks was conducted to formulate key concepts related to care coordination.Results: Our literature review found seven previously unidentified theoretical frameworks for studying care coordination. The in-depth analysis identified fourteen key concepts that the theoretical frameworks addressed. These were ‘external factors’, ‘structure’, ‘tasks characteristics’, ‘cultural factors’, ‘knowledge and technology’, ‘need for coordination’, ‘administrative operational processes’, ‘exchange of information’, ‘goals’, ‘roles’, ‘quality of relationship’, ‘patient outcome’, ‘team outcome’, and ‘(interorganizational outcome’.Conclusion: These 14 interrelated key concepts provide a base to develop or choose a framework for studying care coordination. The relational coordination theory and the multi-level framework are interesting as these are the most comprehensive.

Organisational performance and business continuity management: a theoretical perspective and a case study.

Science.gov (United States)

Sawalha, Ihab Hanna Salman

2013-01-01

This paper seeks to extend the research relating to the strategic view of business continuity management (BCM) to the context of organisational performance (OP). It discusses potential performance consequences resulting from applying BCM aspects/elements within an organisation. The paper contributes to the understanding of the role of BCM in OP by discussing how deployment of BCM key aspects/elements can improve OP. Two main issues are discussed: first, background to performance and the elements of OP; and secondly, the role of BCM in achieving optimised OP. These issues are significant, as they go further than the extant literature relating to the significance of BCM and its potential influence on OP. The study focuses on Jordanian banks as a case study and as a way of illustrating how BCM helps improve OP for those organisations facing performance shortcomings or difficulties.

Theoretical study of nuclear physics with strangeness at Nankai University

International Nuclear Information System (INIS)

Ning Pingzhi

2007-01-01

Theoretical study of nuclear physics with strangeness from the nuclear physics group at Nankai university is briefly introduced. Theoretical calculations on hyperon mean free paths in nuclear medium have been done. The other 4 topics in the area of strangeness nuclear physics are the effect of different baryon impurities in nucleus, the heavy flavored baryon hypernuclei, the eta-mesons in nuclear matter and the properties of kaonic nuclei. (authors)

Human Rights and the Excess of Identity: A Legal and Theoretical Inquiry into the Notion of Identity in Strasbourg Case Law.

Science.gov (United States)

Al Tamimi, Yussef

2018-06-01

Identity is a central theme in contemporary politics, but legal academia lacks a rigorous analysis of this concept. The aim of this article is twofold: (i) firstly, it aims to reveal presumptions on identity in human rights law by mapping how the European Court of Human Rights approaches identity and (ii) secondly, it seeks to analyse these presumptions using theoretical insights on identity. By merging legal and theoretical analysis, this article contributes a reading of the Court's case law which suggests that the tension between the political and apolitical is visible as a common thread in the Court's use of identity. In case law concerning paternity, the Court appears to hold a specific view of what is presented as an unquestionable part of identity. This ostensibly pre-political notion of identity becomes untenable in cases where the nature of an identity feature, such as the headscarf, is contended or a minority has adopted a national identity that conflicts with the majoritarian national identity. The Court's approach to identity in such cases reflects a paradox that is inherent to identity; identity is personal while simultaneously constituted and shaped by overarching power mechanisms.

Theoretical study of pressure dependence of transition temperature of In and Pb

Energy Technology Data Exchange (ETDEWEB)

Kumar, Priyank, E-mail: priyank-kumar2007@yahoo.co.in [Department of Science, Government Polytechnic, Gandhinagar -382024, Gujarat (India); Bhatt, N. K. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar - 388120, Gujarat (India); Vyas, P. R.; Gohel, V. B. [Department of Physics, School of Science, Gujarat University, Ahmedabad - 380009, Gujarat (India)

2015-08-28

Recently proposed structured local pseudopotential (PP) by Fiolhais et al. has been successfully used to compute superconducting state parameters (SSP): electron-phonon coupling strength (λ), Coulomb pseudopotential (μ*), critical temperature (T{sub c}), effective interaction strength (N{sub 0}V), isotopic effect parameter (α) and their pressure dependence of non-transition metals In and Pb as a test case. Pressure dependence of the Debye temperature has been computed by Gruneisen model. Present results are in good agreement with experimental and other theoretical results. Present study has been further extended to estimate volume (critical volume) at which λ=μ*, where Tc and N{sub 0}V becomes zero. The presently used model is found to be transferable at the extreme environment without any adjustment of parameters further alongwith its simplicity and predictivity.

Theoretical and experimental study of fenofibrate and simvastatin

Science.gov (United States)

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

2017-12-01

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

Tertiary Overschooling in Nigeria: Theoretical Perspectives and Cases

Science.gov (United States)

Etuk, Grace Koko; Akpan, Eno Gabriel; Etuk, Etuk Nssien

2012-01-01

This paper views overschooling as conditions whereby people occupy job positions which are not optimal for their qualifications. The theoretical backings for the paper are the Human Capital, the equity and the two-factor theories of motivation and job satisfaction. Antecedents to overschooling which are mentioned include educational emphasis, the…

Place Branding – Geographical Approach. Case Study: Waterloo

Directory of Open Access Journals (Sweden)

Marius-Cristian Neacşu

2016-11-01

Full Text Available This study represents an exploratory analysis of the evolution of the place branding concept, with an important focus on the geographical perspective. How has this notion, a newcomer into the geographers' analysis, changed over time and what role does it have in the decision making process of intervening into the way a certain place is organised or as an instrument of economic revival and territorial development? At least from the perspective of Romanian geographical literature, the originality and novelty of this study is obvious. An element of the originality of this research is the attempt of redefining the concept of place branding so that it is more meaningful from the perspective of spatial analyses. The reason for which Waterloo was chosen as a case study is multi-dimensional: the case studies so far have mainly focused on large cities (urban branding instead of place branding and this site has all the theoretical elements to create a stand-alone brand.

Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

KAUST Repository

Kalligiannaki, Evangelia; Harmandaris, Vagelis; Katsoulakis, Markos A.; Plechac, Petr

2015-01-01

We study the application of information theoretic tools for model reduction in the case of systems driven by stochastic dynamics out of equilibrium. The model/dimension reduction is considered by proposing parametrized coarse grained dynamics

Inform: Efficient Information-Theoretic Analysis of Collective Behaviors

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Douglas G. Moore

2018-06-01

Full Text Available The study of collective behavior has traditionally relied on a variety of different methodological tools ranging from more theoretical methods such as population or game-theoretic models to empirical ones like Monte Carlo or multi-agent simulations. An approach that is increasingly being explored is the use of information theory as a methodological framework to study the flow of information and the statistical properties of collectives of interacting agents. While a few general purpose toolkits exist, most of the existing software for information theoretic analysis of collective systems is limited in scope. We introduce Inform, an open-source framework for efficient information theoretic analysis that exploits the computational power of a C library while simplifying its use through a variety of wrappers for common higher-level scripting languages. We focus on two such wrappers here: PyInform (Python and rinform (R. Inform and its wrappers are cross-platform and general-purpose. They include classical information-theoretic measures, measures of information dynamics and information-based methods to study the statistical behavior of collective systems, and expose a lower-level API that allow users to construct measures of their own. We describe the architecture of the Inform framework, study its computational efficiency and use it to analyze three different case studies of collective behavior: biochemical information storage in regenerating planaria, nest-site selection in the ant Temnothorax rugatulus, and collective decision making in multi-agent simulations.

Intersectorial health-related policies: the use of a legal and theoretical framework to propose a typology to a case study in a Brazilian municipality

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Beatriz Helena Tess

2014-11-01

Full Text Available This article analyzes intersectorial health-related policies (IHRP based on a case study performed in 2008-2009 that mapped the social policies of the city of Piracicaba, State of Sao Paulo, Brazil. The research strategy comprised quantitative and qualitative methodologies and converging information sources. Legal and theoretical conceptual frameworks were applied to the Piracicaba study results and served as the basis for proposing a typology of IHRP. Three types of IHRP were identified: health policies where the health sector is coordinator but needs non-health sectors to succeed; policies with a sector other than health as coordinator, but which needs health sector collaboration to succeed; and thirdly, genuine intersectorial policies, not led by any one sector but by a specifically-appointed intersectorial coordinator. The authors contend that political commitment of local authorities alone may not be enough to promote efficient intersectorial social policies. Comprehension of different types of IHRP and their interface mechanisms may contribute to greater efficiency and coverage of social policies that affect health equity and its social determinants positively. In the final analysis,, this will lead to more equitable health outcomes.

Using the Case Study Technology in Developing the Students’ Environmental Competence

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S. B. Ignatov

2012-01-01

Full Text Available The case study technology is considered to be an effective tool for developing the students’ environmental competence. Numerous modern interactive techniques, facilitating the competence approach, can be fitted into its framework. The essence of the case-study is defined as the teaching method of problem-solving. The technology in question makes it possible to use the so called triad of «training – education – development», and provides such teaching opportunities as streaming the students according to their interests, skills, abilities and psychological peculiarities; and, therefore, assigning the relevant and motivating individual tasks.The paper traces the history of the case-study, as well as some theoretical and methodological aspects of its implementation in teaching process; the pedagogic goals fulfilled by means of the given technology are listed along with its advantages compared to other methods. The «case-study» term, its structure and working algorithms are defined. The application examples relating to environmental education at different levels are given. 

Theoretical studies in nuclear reactions and nuclear structure

International Nuclear Information System (INIS)

Wallace, S.J.

1991-05-01

This report discusses topics in the following areas: Hadronic structure; hadrons in nuclei; hot hadronic matter; relativistic nuclear physics and NN interaction; leptonic emissions from high-Z heavy ion collisions; theoretical studies of heavy ion dynamics; nuclear pre-equilibrium reactions; classical chaotic dynamics and nuclear structure; and, theory of nuclear fission

Theoretical Studies on Photoionization Cross Sections of Solid Gold

International Nuclear Information System (INIS)

Ma Xiaoguang; Sun Weiguo; Cheng Yansong

2005-01-01

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

Theoretical study of near-threshold electron-molecule scattering

International Nuclear Information System (INIS)

Morrison, M.A.

1989-01-01

We have been engaged in carrying out a foundation study on problems pertaining to near-threshold nuclear excitations in e-H 2 scattering. The primary goals of this study are: to investigate the severity and nature of the anticipated breakdown of the adiabatic-nuclei (AN) approximation, first for rotation only (in the rigid-rotator approximation), and then for vibration; to determine a data base of accurate ab initio cross sections for this important system; to implement and test accurate, computationally-tractable model potentials for exchange and polarization effects; and to begin the exploration of alternative scattering theories for near-threshold collisions. This study has provided a well-defined theoretical context for our future investigations. Second, it has enabled us to identify and quantify several serious problems in the theory of near-threshold electron-molecule scattering that demand attention. And finally, it has led to the development of some of the theoretical and computational apparatus that will form the foundation of future work. In this report, we shall review our progress to date, emphasizing work completed during the current contract year. 17 refs., 5 figs., 1 tab

Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

Energy Technology Data Exchange (ETDEWEB)

Allen, Wesley D. [Univ. of Georgia, Athens, GA (United States). Dept. of Chemistry. Center for Computational Quantum Chemistry; Schaefer, III, Henry F. [Univ. of Georgia, Athens, GA (United States). Dept. of Chemistry. Center for Computational Quantum Chemistry

2015-11-14

This is the final report of the theoretical studies of elementary hydrocarbon species and their reactions. Part A has a bibliography of publications supported by DOE from 2010 to 2016 and Part B goes into recent research highlights.

A Set Theoretical Approach to Maturity Models

DEFF Research Database (Denmark)

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

2016-01-01

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

Short Term International Study for Teachers as a Form of Experiential Learning: A Case Study of American Educators in Turkey

Science.gov (United States)

Berk, Zulfikar

2017-01-01

This dissertation is a case study of the experiences and perspectives of nine US teachers who participated in a short-term international study tour to Turkey, from the theoretical perspectives of global education and experiential learning. It examines how that experience shaped the teachers' understandings of global dynamics, cultural differences…

TA Treatment of Depression - A Hermeneutic Single-Case Efficacy Design Study - ‘Linda’ - a mixed outcome case

Directory of Open Access Journals (Sweden)

Mark Widdowson

2013-07-01

Full Text Available Hermeneutic Single-Case EfficacyDesign (HSCED is a systematic case study research method involving the cross-examination of mixed method data to generate both plausible arguments that the client changed due to therapy and alternative explanations. The present study is the fourth article of a case series which has investigated the process and outcome of transactional analysis psychotherapy using Hermeneutic Single-Case Efficacy Design (Elliott 2002. The client, Linda, was a 45 yearold white British woman with mild depression who attended nine sessions of therapy. The conclusion of the judges was that this was a mixed-outcome case:whilst the client improved over the course of therapy and was positive about her experience of therapy, her changes did not last when she experienced considerable stressful events during follow-up. Linda provided a detailed and idiosyncratic description of the aspects of the therapy which were most helpful for her. A cross-case comparison with other cases in this series suggests several interesting features which are worthy of further investigation. Specifically, the use of a shared theoretical framework and an egalitarian therapeutic relationship were helpful. As with other cases in this series, the client experienced positive changes in her interpersonal relationships suggesting that this outcome of TA therapy warrants further investigation

Review Article: Yamada, Jeni "Laura: A Case for the Modularity of Language"; Tomasello, Michael "First Verbs: A Case Study of Early Grammatical Development."

Science.gov (United States)

Shatz, Marilyn

1994-01-01

Jeni Yamada's "Laura" and Michael Tomasello's "First Verbs" continue a tradition of providing useful information on the language ability of individuals in a depth rarely found in multisubject studies; however, these efforts are unusual for case studies in that both take strong theoretical positions on the essence of language and language learning.…

Beating the Odds! Build theory from emerging markets phenomenon and the emergence of case study research—A “Test-Tube” typology

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Kotapati Srinivasa Reddy

2015-12-01

Full Text Available The extant social sciences and management theoretical concepts and empirical literature have mostly determined based on western (developed economies institutional context. In the recent past, a number of researchers have argued that the western theories are inadequate to study the emerging markets phenomenon and described the problems relating to data collection, data analysis, and theory development. I also (experience confirm that major problems are relating to the research data collection, especially primary data (interview and survey methods. With this in mind, I develop a new case study research design, that is, “Test-Tube” typology, to build theory from emerging markets behavior as well as to add new knowledge to the mass of disciplines, particularly social sciences, medicine, travel, tourism and hospitality, sports, management, and information systems, and engineering. I design a typology that consists of eleven steps: case development, case selection, relatedness and pattern matching, case analysis, cross-case analysis, theoretical constructs, pre-testing and development, adjusting theoretical constructs, theory testing, building theory and testable propositions, and suggesting strategic swap model. Further, I suggest a set of few guidelines on how to measure the research quality and how to strengthen the research rigor in case study settings.

Theoretical modelling of semiconductor surfaces microscopic studies of electrons and photons

CERN Document Server

Srivastava, G P

1999-01-01

The state-of-the-art theoretical studies of ground state properties, electronic states and atomic vibrations for bulk semiconductors and their surfaces by the application of the pseudopotential method are discussed. Studies of bulk and surface phonon modes have been extended by the application of the phenomenological bond charge model. The coverage of the material, especially of the rapidly growing and technologically important topics of surface reconstruction and chemisorption, is up-to-date and beyond what is currently available in book form. Although theoretical in nature, the book provides

Theoretical studies of field-reversed configurations (FRC) and experimental study of the FRC during translation

International Nuclear Information System (INIS)

Siemon, R.E.; Armstrong, W.T.; Chrien, R.E.

1985-01-01

Theoretical studies of FRC stability and transport are summarized. Finite Larmor radius theories are shown to be unreliable for explaining the experimentally observed stability to tilting. Control of the n=2 rotational instability has been demonstrated in two-dimensional hybrid code simulations, and the stability appears to be described within MHD if the nearly square equilibria that result from quadrupole fields are taken into account. Simulations of the lower hybrid drift instability in parameter regimes relevant to experiments show good agreement with a non-local theory of the instability. A 1.5-dimensional transport code shows agreement with the energy confinement time but disagreement with the flux loss time observed in FRX-C. The process of FRC translation in which the plasma is formed, translated into a DC solenoid and trapped by magnetic mirrors, has been studied in the FRX-C/T experiment. Efficient transfer of particles, energy and internal magnetic flux are observed with no enhancement of loss processes over in-situ FRC experiments. The axial velocity of the FRC can be estimated reasonably well with a simple model based on conservation of energy. Internal magnetic field probing during translation shows the expected structure of poloidal field and a complex distribution of generally weak toroidal fields. Measurements of radiated power indicate that radiation is a small fraction of the total plasma power loss (typically 8%). Translation has facilitated scaling studies of confinement over a wider range of parameters than were achieved by in-situ FRX-C experiments. For example, the variable xsub(s), the ratio of the separatrix radius to the metal wall radius, has been increased to about 0.7 by allowing the FRC to expand during translation. In all cases, particle confinement times agree within a factor of two with predictions by models that assume a lower hybrid drift resistivity. However, for the conditions studied there are indications that the experimental

Case studies in control putting theory to work

CERN Document Server

Juričić, Đani

2013-01-01

Case Studies in Control presents a framework to facilitate the use of advanced control concepts in real systems based on two decades of research and over 150 successful applications for industrial end-users from various backgrounds. In successive parts the text approaches the problem of putting the theory to work from both ends, theoretical and practical. The first part begins with a stress on solid control theory and the shaping of that theory to solve particular instances of practical problems. It emphasizes the need to establish by experiment whether a model-derived solution will perform properly in reality. The second part focuses on real industrial applications based on the needs and requirements of end-users. Here, the engineering approach is dominant but with theoretical input of varying degree depending on the particular process involved. Following the illustrations of the progress that can be made from either extreme of the well-known theory–practice divide, the text proceeds to a third part relate...

Theoretical study of solvent effects on the coil-globule transition

Science.gov (United States)

Polson, James M.; Opps, Sheldon B.; Abou Risk, Nicholas

2009-06-01

The coil-globule transition of a polymer in a solvent has been studied using Monte Carlo simulations of a single chain subject to intramolecular interactions as well as a solvent-mediated effective potential. This solvation potential was calculated using several different theoretical approaches for two simple polymer/solvent models, each employing hard-sphere chains and hard-sphere solvent particles as well as attractive square-well potentials between some interaction sites. For each model, collapse is driven by variation in a parameter which changes the energy mismatch between monomers and solvent particles. The solvation potentials were calculated using two fundamentally different methodologies, each designed to predict the conformational behavior of polymers in solution: (1) the polymer reference interaction site model (PRISM) theory and (2) a many-body solvation potential (MBSP) based on scaled particle theory introduced by Grayce [J. Chem. Phys. 106, 5171 (1997)]. For the PRISM calculations, two well-studied solvation monomer-monomer pair potentials were employed, each distinguished by the closure relation used in its derivation: (i) a hypernetted-chain (HNC)-type potential and (ii) a Percus-Yevick (PY)-type potential. The theoretical predictions were each compared to results obtained from explicit-solvent discontinuous molecular dynamics simulations on the same polymer/solvent model systems [J. Chem. Phys. 125, 194904 (2006)]. In each case, the variation in the coil-globule transition properties with solvent density is mostly qualitatively correct, though the quantitative agreement between the theory and prediction is typically poor. The HNC-type potential yields results that are more qualitatively consistent with simulation. The conformational behavior of the polymer upon collapse predicted by the MBSP approach is quantitatively correct for low and moderate solvent densities but is increasingly less accurate for higher densities. At high solvent densities

Re-reading "Little Hans": Freud's case study and the question of competing paradigms in psychoanalysis.

Science.gov (United States)

Midgley, Nicholas

2006-01-01

Psychoanalysts have long recognized the complex interaction between clinical data and formal psychoanalytic theories. While clinical data are often used to provide "evidence" for psychoanalytic paradigms, the theoretical model used by the analyst also structures what can and cannot be seen in the data. This delicate interaction between theory and clinical data can be seen in the history of interpretations of Freud's "Analysis of a Phobia in a Five-Year-Old Boy" ("Little Hans"). Freud's himself revised his reading of the case in 1926, after which a number of psychoanalysts--including Melanie Klein, Jacques Lacan, and John Bowlby--reinterpreted the case in the light of their particular models of the mind. These analysts each found "evidence" for their theoretical model within this classic case study, and in doing so they illuminated aspects of the case that had previously been obscured, while also revealing a great deal about the shifting preoccupations of psychoanalysis as a field.

Theoretical nuclear reaction and structure studies using hyperons and photons

International Nuclear Information System (INIS)

Cotanch, S.R.

1991-01-01

This report details research progress and results obtained during the 12 month period from January 1991 through 31 December 1991. The research project, entitled ''Theoretical Nuclear Reaction and Structure Studies Using Hyperons and Photons,'' is supported by grant DE-FG05-88ER40461 between North Carolina State University and the United States Department of Energy. In compliance with grant requirements the Principal Investigator, Professor Stephen R. Cotanch, has conducted a research program addressing theoretical investigations of reactions involving hyperons and photons. The new, significant research results are briefly summarized in the following sections

Theoretical study of n-alkane adsorption on metal surfaces

DEFF Research Database (Denmark)

Morikawa, Yoshitada; Ishii, Hisao; Seki, Kazuhiko

2004-01-01

The interaction between n-alkane and metal surfaces has been studied by means of density-functional theoretical calculations within a generalized gradient approximation (GGA). We demonstrate that although the GGA cannot reproduce the physisorption energy well, our calculations can reproduce the e...

Naïve Scientists and Conflict Analysis: Learning through Case Studies

Science.gov (United States)

Ayres, R. Williams

2016-01-01

Much of our teaching about conflict relies on theoretical ideas and models that are delivered as finished products. This article explores the supposition that what students need is not already-formed theoretical ideas, but exposure to more real-world cases of conflict from which to build theory. The article presents an experiment in pedagogy:…

Case Study in Public Administration: A Critical Review of Brazilian Scientific Production

Directory of Open Access Journals (Sweden)

Mariana Guerra

2015-03-01

Full Text Available This paper presents a critical review of 47 articles published between 2006 and 2011 to identify how case studies have been applied in Brazilian research on public administration. In addition to their theoretical and methodological characteristics, four further specific topics of interest were addressed: (a what is meant by case study; (b the relationship between the phenomenon of interest and the case under investigation; (c the possibility of replication; and (d how the supposed method contributes towards the development of the field of public administration. The main inconsistencies found were: the methodological descriptions are confusing; the results are inconsistent compared with data gathering procedures and data analysis techniques; a lack of information about the number of interviewed individuals; and no descriptions of research variables. The results suggest the reviewed case studies present methodological inconsistencies and limitations, which undermine their scientific value and relevance to academic work in Brazil.

Theoretical Linguistics And Multilingualism Research

African Journals Online (AJOL)

KATEVG

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

Excitons in van der Waals Heterostructures: A theoretical study

DEFF Research Database (Denmark)

Latini, Simone

)electronics devices, e.g. light emitting diodes, solar cells, ultra-fast photodetectors, transistors etc., have been successfully fabricated. It is well established that for isolated 2D semiconductors and vdWHs the optical response is governed by excitonic effects. While it is understood that the reduced amount...... of electronic screening in freestanding 2D materials is the main origin of extraordinarily strongly bound excitons, a theoretical understanding of excitonic effects and of how the electronic screening is affected for the more complex case of multi-layer structures is still lacking due to the computational...... in a generalized hydrogenic model to compute exciton binding energies in isolated, supported, or encapsulated 2D semiconductors. The non-locality of the dielectric screening is inherently included in our method and we can successfully describe the non-hydrogenic Rydberg series of low-dimensional systems...

Archaeological culture and medieval ethnic community: theoretical and methodical problems of correlation (the case of medieval Bulgaria

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Izmaylov Iskander L.

2014-09-01

Full Text Available Problems related to archaeological culture and ethnos comparison in the case of medieval Bulgaria are discussed in the article. According to the author, in recent years it has become evident that the traditional concept and methodology of the study of the Bulgars’ ethnogenesis and ethnic history are in contradiction with the facts accumulated. The methods of “archaeological ethno-genetics”, which dictated solving problems of ethnogenesis of the ancient population belonging to an archaeological culture in direct correlation with ethnicity, are currently being criticized. According to modern ideas about ethnos and ethnicity, ethnicity is based upon identity with a complex hierarchical nature. Contemporary methodology requires proceeding with the integrated study of the problems of ethnogenesis on the basis of archaeology and ethnology. This kind of analysis is based upon the study of the medieval Bulgar mentality as a source of information on key aspects of ethno-political ideas. The analysis of authentic historical sources, historiographical tradition elements and folklore materials makes it possible to reconstruct the basic ideas that were significant for an ethnic group. The archaeological culture of the population of Bulgaria is characterized by two clearly distinguished and interconnected elements – the common Muslim culture and that of the elite military “druzhina” (squad. These elements directly characterize the Bulgar ethno-political community. These theoretical conclusions and empirical research concerning the case of the medieval Bulgars’ ethnogenesis attest to the productivity of ethnological synthesis techniques on an interdisciplinary basis.

Theoretical study of rock mass investigation efficiency

International Nuclear Information System (INIS)

Holmen, Johan G.; Outters, Nils

2002-05-01

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

Preparation of theoretical scanning tunneling microscope images of adsorbed molecules: a theoretical study of benzene on the Cu(110) surface

International Nuclear Information System (INIS)

Shapter, J.G.; Rogers, B.L.; Ford, M.J.

2003-01-01

Full text: Since its development in 1982, the Scanning Tunneling Microscope (STM) has developed into a powerful tool for the study of surfaces and adsorbates. However, the utility of the technique can be further enhanced through the development of techniques for generating theoretical STM images. This is particularly true when studying molecules adsorbed on a substrate, as the results are often interpreted superficially due to an inadequate understanding of the orbital overlap probed in the experiment. A method of preparing theoretical scanning tunneling microscope (STM) images using comparatively inexpensive desktop computers and the commercially available CRYSTAL98 package is presented through a study of benzene adsorbed on the Cu(110) surface. Density Functional Theory (DFT) and Hartree-Fock (HF) methods are used to model clean Cu(110) slabs of various thicknesses and to simulate the adsorption of benzene onto these slabs. Eight possible orientations of benzene on the Cu(110) surface are proposed, and the optimum orientation according to the calculations is presented. Theoretical STM images of the Cu(110) surface and benzene adsorbed on the Cu(110) surface are compared with experimental STM images of the system from a published study. Significant differences are observed and are examined in detail

Life in Sounds, Colours and Atmospheres: A Case Study on Synaesthesia

Directory of Open Access Journals (Sweden)

Ruismäki Heikki

2011-12-01

Full Text Available In this article we focus on the world of colour associations and atmospheres experienced by afamous and successful piano pedagogue. The aim of the study is to open one point of view insidethe phenomenon of synaesthesia through one case which is truly reliable. This case study isbased on personal interviews with the pedagogue (August 16-19, 1999, and April 27, 2010, andthe findings are anchored theoretically in the synaesthetic experience. The article subtitles arethe themes and subjects used in the interviews, and the free association discussions have beenshaped into more structured form. To express the events in a way that is similar to the real lifeexperiences, we have quoted the interviewee directly in our text.

Analyzing inconsistent cases in management fsQCA studies: A methodological manifesto

NARCIS (Netherlands)

Balachandran Nair, L.; Gibbert, Michael

2016-01-01

Cases inconsistent with theoretical expectations are by default indicators for a lack of theory-data fit, and as such are prime candidates for theory building. However, the conventional tendency is to ignore inconsistent cases in Management research. The current article focuses on the

Theoretical studies on aerosol agglomeration processes

Energy Technology Data Exchange (ETDEWEB)

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

1997-12-31

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

Theoretical studies on aerosol agglomeration processes

Energy Technology Data Exchange (ETDEWEB)

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

1998-12-31

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

Theoretical framework to study exercise motivation for breast cancer risk reduction.

Science.gov (United States)

Wood, Maureen E

2008-01-01

To identify an appropriate theoretical framework to study exercise motivation for breast cancer risk reduction among high-risk women. An extensive review of the literature was conducted to gather relevant information pertaining to the Health Promotion Model, self-determination theory, social cognitive theory, Health Belief Model, Transtheoretical Model, theory of planned behavior, and protection motivation theory. An iterative approach was used to summarize the literature related to exercise motivation within each theoretical framework. Protection motivation theory could be used to examine the effects of perceived risk and self-efficacy in motivating women to exercise to facilitate health-related behavioral change. Evidence-based research within a chosen theoretical model can aid practitioners when making practical recommendations to reduce breast cancer risk.

Theoretical study of the properties of X-ray diffraction moiré fringes. I

International Nuclear Information System (INIS)

Yoshimura, Jun-ichi

2015-01-01

A detailed and comprehensive theoretical description of X-ray diffraction moiré fringes for a bicrystal specimen is given on the basis of a calculation by plane-wave dynamical diffraction theory, where the effect of the Pendellösung intensity oscillation on the moiré pattern is explained in detail. A detailed and comprehensive theoretical description of X-ray diffraction moiré fringes for a bicrystal specimen is given on the basis of a calculation by plane-wave dynamical diffraction theory. Firstly, prior to discussing the main subject of the paper, a previous article [Yoshimura (1997 ▸). Acta Cryst. A53, 810–812] on the two-dimensionality of diffraction moiré patterns is restated on a thorough calculation of the moiré interference phase. Then, the properties of moiré fringes derived from the above theory are explained for the case of a plane-wave diffraction image, where the significant effect of Pendellösung intensity oscillation on the moiré pattern when the crystal is strained is described in detail with theoretically simulated moiré images. Although such plane-wave moiré images are not widely observed in a nearly pure form, knowledge of their properties is essential for the understanding of diffraction moiré fringes in general

Ethylenediammonium dication: H-bonded complexes with terephthalate, chloroacetate, phosphite, selenite and sulfamate anions. Detailed vibrational spectroscopic and theoretical studies of ethylenediammonium terephthalate

Science.gov (United States)

Marchewka, M. K.; Drozd, M.

2012-12-01

Crystalline complexes between ethylenediammonium dication and terephthalate, chloroacetate, phosphite, selenite and sulfamate anions were obtained by slow evaporation from water solution method. Room temperature powder infrared and Raman measurements were carried out. For ethylenediammonium terephthalate theoretical calculations of structure were performed by two ways: ab-initio HF and semiempirical PM3. In this case the PM3 method gave more accurate structure (closer to X-ray results). The additional PM3 calculations of vibrational spectra were performed. On the basis theoretical approach and earlier vibrational studies of similar compounds the vibrational assignments for observed bands have been proposed. All compounds were checked for second harmonic generation (SHG).

CO oxidation on gold nanoparticles: Theoretical studies

DEFF Research Database (Denmark)

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

2005-01-01

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

Theoretical and experimental studies on a magnetorheological brake operating under compression plus shear mode

International Nuclear Information System (INIS)

Sarkar, C; Hirani, H

2013-01-01

The torque characteristics of magnetorheological brakes, consisting of rotating disks immersed in a MR fluid and enclosed in an electromagnetic casing, are controlled by regulating the yield stress of the MR fluid. An increase in yield stress increases the braking torque, which means that the higher the yield strength of the MR fluid, the better the performance of the MR brake will be. In the present research an application of compressive force on MR fluid has been proposed to increase the torque capacity of MR brakes. The mathematical expressions to estimate the torque values for MR brake, operating under compression plus shear mode accounting Herschel–Bulkley shear thinning model, have been detailed. The required compressive force on MR fluid of the proposed brake has been applied using an electromagnetic actuator. The development of a single-plate MR disk brake and an experimental test rig are described. Experiments have been performed to illustrate braking torque under different control currents (0.0–2.0 A). The torque results have been plotted and compared with theoretical study. Experimental results as well as theoretical calculations indicate that the braking torque of the proposed MR brake is higher than that of the MR brake operating only under shear. (paper)

CASE STUDY CRITIQUE; UPPER CLINCH CASE STUDY

Science.gov (United States)

Case study critique: Upper Clinch case study (from Research on Methods for Integrating Ecological Economics and Ecological Risk Assessment: A Trade-off Weighted Index Approach to Integrating Economics and Ecological Risk Assessment). This critique answers the questions: 1) does ...

A theoretical study of absorption equilibria in silicon CVD

NARCIS (Netherlands)

Gardeniers, Johannes G.E.; Giling, L.J.; de Jong, F.; van der Eerden, J.P.

1990-01-01

As part of a theoretical study of adsorption processes in the chemical vapour deposition of silicon, thermochemical data are derived for the adsorption of Si-H species on the Si(111) and the dimer-reconstructed Si(001)-(2 x 1) surfaces. Essential contributions to the heats of adsorption appear to be

Teaching Sustainability Using an Active Learning Constructivist Approach: Discipline-Specific Case Studies in Higher Education

Directory of Open Access Journals (Sweden)

Maria Kalamas Hedden

2017-07-01

Full Text Available In this paper we present our rationale for using an active learning constructivist approach to teach sustainability-related topics in a higher education. To push the boundaries of ecological literacy, we also develop a theoretical model for sustainability knowledge co-creation. Drawing on the experiences of faculty at a major Southeastern University in the United States, we present case studies in architecture, engineering, geography, and marketing. Four Sustainability Faculty Fellows describe their discipline-specific case studies, all of which are project-based learning experiences, and include details regarding teaching and assessment. Easily replicated in other educational contexts, these case studies contribute to the advancement of sustainability education.

Couples coping with cancer: exploration of theoretical frameworks from dyadic studies.

Science.gov (United States)

Regan, Tim W; Lambert, Sylvie D; Kelly, Brian; Falconier, Mariana; Kissane, David; Levesque, Janelle V

2015-12-01

A diagnosis of cancer and subsequent treatment are distressing not only for the person directly affected, but also for their intimate partner. The aim of this review is to (a) identify the main theoretical frameworks underpinning research addressing dyadic coping among couples affected by cancer, (b) summarise the evidence supporting the concepts described in these theoretical frameworks, and (c) examine the similarities and differences between these theoretical perspectives. A literature search was undertaken to identify descriptive studies published between 1990 and 2013 (English and French) that examined the interdependence of patients' and partners' coping, and the impact of coping on psychosocial outcomes. Data were extracted using a standardised form and reviewed by three of the authors. Twenty-three peer-reviewed manuscripts were identified, from which seven theoretical perspectives were derived: Relationship-Focused Coping, Transactional Model of Stress and Coping, Systemic-Transactional Model (STM) of dyadic coping, Collaborative Coping, Relationship Intimacy model, Communication models, and Coping Congruence. Although these theoretical perspectives emphasised different aspects of coping, a number of conceptual commonalities were noted. This review identified key theoretical frameworks of dyadic coping used in cancer. Evidence indicates that responses within the couple that inhibit open communication between partner and patient are likely to have an adverse impact on psychosocial outcomes. Models that incorporate the interdependence of emotional responses and coping behaviours within couples have an emerging evidence base in psycho-oncology and may have greatest validity and clinical utility in this setting. Copyright © 2015 John Wiley & Sons, Ltd.

A theoretical and spectroscopic study of co-amorphous naproxen and indomethacin

DEFF Research Database (Denmark)

Löbmann, Korbinian; Laitinen, Riikka; Grohganz, Holger

2013-01-01

. In this study, the co-amorphous drug mixture containing naproxen (NAP) and indomethacin (IND) was investigated using infrared spectroscopy (IR) and quantum mechanical calculations. The structures of both drugs were optimized as monomer, homodimer and heterodimer using density functional theory and used...... for the calculation of IR spectra. Conformational analysis confirmed that the optimized structures were suitable for the theoretical prediction of the spectra. Vibrational modes from the calculation could be matched with experimentally observed spectra for crystalline and amorphous NAP and IND, and it could be shown...... that both drugs exist as homodimers in their respective individual amorphous form. With the results from the experimental single amorphous drugs and theoretical homodimers, a detailed analysis of the experimental co-amorphous and theoretical heterodimer spectra was performed and evaluated. It is suggested...

Towards a Game Theoretic View of Secure Computation

DEFF Research Database (Denmark)

Asharov, Gilad; Canetti, Ran; Hazay, Carmit

2011-01-01

We demonstrate how Game Theoretic concepts and formalism can be used to capture cryptographic notions of security. In the restricted but indicative case of two-party protocols in the face of malicious fail-stop faults, we first show how the traditional notions of secrecy and correctness of protoc......We demonstrate how Game Theoretic concepts and formalism can be used to capture cryptographic notions of security. In the restricted but indicative case of two-party protocols in the face of malicious fail-stop faults, we first show how the traditional notions of secrecy and correctness...... of protocols can be captured as properties of Nash equilibria in games for rational players. Next, we concentrate on fairness. Here we demonstrate a Game Theoretic notion and two different cryptographic notions that turn out to all be equivalent. In addition, we provide a simulation based notion that implies...

Case Studies of Interactive Whole-Class Teaching in Primary Science: Communicative Approach and Pedagogic Purposes

Science.gov (United States)

McMahon, Kendra

2012-01-01

By developing two case studies of expert teaching in action, this study aimed to develop knowledge of talk in whole-class teaching in UK primary science lessons and understand this in relation to both the teachers' interpretations and sociocultural theoretical frameworks. Lessons were observed and video-recorded and the teachers engaged in…

A multimedia case based approach to the study of office ergonomics.

Science.gov (United States)

August-Dalfen, Sharon; Snider, Laurie

2003-01-01

Multimedia technology has the capacity to provide students with an interactive approach to problem based learning and to bridge the gap between theoretical knowledge and clinical practice. The present paper describes the design and development of the program ErgoROM, a CD which presents a case study to assist occupational therapy students in their studies of office ergonomics. A pilot study showed that overall, 91% of respondents rated the ErgoROM as either "Excellent" or "Very Good". Additionally they reported that ErgoROM had a positive impact on active learning and critical thinking.

Robustness - theoretical framework

DEFF Research Database (Denmark)

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

2010-01-01

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

Nitropyrroles, Diels-Alder reactions assisted by microwave irradiation and solvent effect. An experimental and theoretical study

Science.gov (United States)

Mancini, Pedro M. E.; Kneeteman, María N.; Cainelli, Mauro; Ormachea, Carla M.; Domingo, Luis R.

2017-11-01

The behaviors of N-tosylnitropyrroles acting as electrophilic dienophiles in polar Diels-Alder reactions joint to different dienes of increeased nucleophilicity are analyzed. The reactions were developed under microwave irradiation using toluene or protic ionic liquids (PILs) as solvents and in free solvent conditions. In all the cases explored we observed good yields in short reaction times. For these reactions, the free solvent condition and the use of protic ionic liquids as solvents offer similar results. However, the free solvent conditions favor environmental sustainability. The role of PILs in these polar Diels-Alder reactions has been theoretically studied within the Molecular Electron Density Theory.

Hannibal Lecter: Case study of a fictional character

Directory of Open Access Journals (Sweden)

Repišti Selman

2014-01-01

Full Text Available The aim of this study was to review the case of the imaginary character, Dr. Hannibal Lecter, based on content analysis of four books ('Hannibal', 'Hannibal Rising', 'Silence of the Lambs' and 'Red Dragon', four films with the same title and two seasons of 13 episodes of the serial 'Hannibal'. In the first part, the analysis refers to the consideration of the aforementioned case, taking into account the following diagnostic classifications: DSM-IV, DSM-5 and ICD-10. Then, we offered a description of Dr. Lecter's personality through modern models of personality structure: Big Five Model, HEXACO Model, The Big Seven Model, Two-factor Model and One-factor Model. In particular, we address the interpretation of behavioral patterns of this fictional character from the perspective of classical psychodynamic theory, and through the prism of a theoretical point of Jacques Lacan. In addition, his behavior is explained by applying the postulates of cognitive-behavioral paradigm as well as evolutionary psychology. At the end of the paper are listed conclusions, created as a synthesis of previous interpretations, or an eclectic approach used in these analyses. In addition, there are featured disadvantages of this type of analysis, in the form of methodological limitations of qualitative research in one subject (case studies and problems of differential diagnosis in the case of a controversial character such as Dr. Hannibal Lecter.

Theoretical Studies Of Nucleation Kinetics And Nanodroplet Microstructure

International Nuclear Information System (INIS)

Wilemski, Gerald

2009-01-01

The goals of this project were to (1) explore ways of bridging the gap between fundamental molecular nucleation theories and phenomenological approaches based on thermodynamic reasoning, (2) test and improve binary nucleation theory, and (3) provide the theoretical underpinning for a powerful new experimental technique, small angle neutron scattering (SANS) from nanodroplet aerosols, that can probe the compositional structure of nanodroplets. This report summarizes the accomplishments of this project in realizing these goals. Publications supported by this project fall into three general categories: (1) theoretical work on nucleation theory (2) experiments and modeling of nucleation and condensation in supersonic nozzles, and (3) experimental and theoretical work on nanodroplet structure and neutron scattering. These publications are listed and briefly summarized in this report.

Experimental and theoretical studies of bombardment induced surface morphology changes

International Nuclear Information System (INIS)

Carter, G.; Nobes, M.J.; Williams, J.S.

1980-01-01

In this review results of experimental and theoretical studies of solid surface morphology changes due to ion bombardment are discussed. An attempt is undertaken to classify the observed specific features of a structure, generated by ion bombardment [ru

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

Self-socialization: a case study of a parachute child.

Science.gov (United States)

Newman, Philip R; Newman, Barbara M

2009-01-01

The theoretical concept of self-socialization suggests that an individual is able to reflect on the self, formulate a vision of a future self, set goals, and take actions that create or alter the developmental trajectory. This case study of a parachute child illustrates how a person constructs her life from a very young age, drawing on a profound capacity for personal agency to overcome obstacles, identify resources, and internalize values to build a life structure. A model of the psychosocial process of self-socialization emerges from this case. Following the disruption of a well-defined trajectory, self-socialization is observed as a sequence of actions, reflection, correction, and new actions. Self-socialization is possible when a strong sense of self-efficacy is applied to attaining internalized values and goals.

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

Directory of Open Access Journals (Sweden)

Victoria von Groddeck

2010-09-01

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

Experimental and theoretical study of magnetohydrodynamic ship models.

Science.gov (United States)

Cébron, David; Viroulet, Sylvain; Vidal, Jérémie; Masson, Jean-Paul; Viroulet, Philippe

2017-01-01

Magnetohydrodynamic (MHD) ships represent a clear demonstration of the Lorentz force in fluids, which explains the number of students practicals or exercises described on the web. However, the related literature is rather specific and no complete comparison between theory and typical small scale experiments is currently available. This work provides, in a self-consistent framework, a detailed presentation of the relevant theoretical equations for small MHD ships and experimental measurements for future benchmarks. Theoretical results of the literature are adapted to these simple battery/magnets powered ships moving on salt water. Comparison between theory and experiments are performed to validate each theoretical step such as the Tafel and the Kohlrausch laws, or the predicted ship speed. A successful agreement is obtained without any adjustable parameter. Finally, based on these results, an optimal design is then deduced from the theory. Therefore this work provides a solid theoretical and experimental ground for small scale MHD ships, by presenting in detail several approximations and how they affect the boat efficiency. Moreover, the theory is general enough to be adapted to other contexts, such as large scale ships or industrial flow measurement techniques.

Experimental and theoretical study of magnetohydrodynamic ship models.

Directory of Open Access Journals (Sweden)

David Cébron

Full Text Available Magnetohydrodynamic (MHD ships represent a clear demonstration of the Lorentz force in fluids, which explains the number of students practicals or exercises described on the web. However, the related literature is rather specific and no complete comparison between theory and typical small scale experiments is currently available. This work provides, in a self-consistent framework, a detailed presentation of the relevant theoretical equations for small MHD ships and experimental measurements for future benchmarks. Theoretical results of the literature are adapted to these simple battery/magnets powered ships moving on salt water. Comparison between theory and experiments are performed to validate each theoretical step such as the Tafel and the Kohlrausch laws, or the predicted ship speed. A successful agreement is obtained without any adjustable parameter. Finally, based on these results, an optimal design is then deduced from the theory. Therefore this work provides a solid theoretical and experimental ground for small scale MHD ships, by presenting in detail several approximations and how they affect the boat efficiency. Moreover, the theory is general enough to be adapted to other contexts, such as large scale ships or industrial flow measurement techniques.

Project-Based Social Justice Mathematics: A Case Study of Five 6th Grade Students

Science.gov (United States)

McHugh, Maighread L.

2015-01-01

The purpose of this qualitative multiple case study was to explore how five sixth grade female students navigated the process of project-based learning as they designed and implemented their own project centered on mathematics while using a social justice lens. The theoretical frameworks of Authentic Intellectual Work and Social Justice…

Can a sports team create love for a City? : a case study of place attachment from a resident perspective

OpenAIRE

Hadzimesic, Merima; Oxwall, Amanda

2013-01-01

Purpose The study theoretically examine if satisfaction of a sports team can create place attachment to a city from a residents’ perspective. It empirically tests if this theory can be applied in reality through a case study of a handball team IFK Kristianstad, and Kristianstad city. Design/methodology/approach A deductive approach that was based on theoretical insights from place attachment, satisfaction and service quality. A quantitative study was conducted on spectators in Kristianstad Ar...

Theoretical model simulations for the global Thermospheric Mapping Study (TMS) periods

Science.gov (United States)

Rees, D.; Fuller-Rowell, T. J.

Theoretical and semiempirical models of the solar UV/EUV and of the geomagnetic driving forces affecting the terrestrial mesosphere and thermosphere have been used to generate a series of representative numerical time-dependent and global models of the thermosphere, for the range of solar and geoamgnetic activity levels which occurred during the three Thermospheric Mapping Study periods. The simulations obtained from these numerical models are compared with observations, and with the results of semiempirical models of the thermosphere. The theoretical models provide a record of the magnitude of the major driving forces which affected the thermosphere during the study periods, and a baseline against which the actual observed structure and dynamics can be compared.

Case study of physiotherapeutic treatment of patient with diagnosis facial nerve peripheral palsy

OpenAIRE

Zahrádková, Tereza

2015-01-01

Title of Bachelorʼs thesis: Case study of physiotherapeutic treatment of patient with diagnosis facial nerve peripheral palsy. Aim of thesis: Summary of theoretical findings of patientʼs diagnosis, study metodology of physiotherapeutic care, treatment design, monitoring of treatment, and evaluate the effect of patient with diagnosis facial nerve peripheral palsy. Summary: This thesis comprehensively summarizes the findings of of peripheral facial nerve palsy and it's treatment with physiotera...

Net motion of acoustically levitating nano-particles: A theoretical analysis

Science.gov (United States)

Lippera, Kevin; Dauchot, Olivier; Benzaquen, Michael; Gulliver-LadHyX Collaboration

2017-11-01

A particle 2D-trapped in the nodal planed of a standing acoustic wave is prone to acoustic-phoretic motion as soon as its shape breaks polar or chiral symmetry. such a setup constitues an ideal system to study boundaryless 2D collective behavior with purely hydrodynamic long range interactions. Recent studies have indeed shown that quasi-spherical particles may undergo net propulsion, a feature partially understood theoretically in the particular case of infinite viscous boundary layers. We here extend the theoretical results of to any boundary layer thickness, by that meeting typical experimental conditions. In addition, we propose an explanation for the net spinning of the trapped particles, as observed in experiments.

Theoretical and experimental studies on electric field and confinement in helical systems

International Nuclear Information System (INIS)

Sanuki, H.; Itoh, K.; Todoroki, J.; Ida, K.; Idei, H.; Iguchi, H.; Yamada, H.

1994-06-01

The present study consists of two parts. The first part is oriented to a theoretical model of selfconsistent analysis to determine simultaneously the electric field and loss cone boundary in heliotron/torsatron configurations under the influence of nonclassical particle losses. The second part is referred to the analysis on NBI heated and ECH plasmas in Compact Helical System (CHS) device. A comparison is made between theoretical results and experimental observations. (author)

Theoretical Study of the Charge-Transfer State Separation within Marcus Theory: The C60-Anthracene Case Study.

Science.gov (United States)

Volpi, Riccardo; Nassau, Racine; Nørby, Morten Steen; Linares, Mathieu

2016-09-21

We study, within Marcus theory, the possibility of the charge-transfer (CT) state splitting at organic interfaces and a subsequent transport of the free charge carriers to the electrodes. As a case study we analyze model anthracene-C60 interfaces. Kinetic Monte Carlo (KMC) simulations on the cold CT state were performed at a range of applied electric fields, and with the fields applied at a range of angles to the interface to simulate the action of the electric field in a bulk heterojunction (BHJ) interface. The results show that the inclusion of polarization in our model increases CT state dissociation and charge collection. The effect of the electric field on CT state splitting and free charge carrier conduction is analyzed in detail with and without polarization. Also, depending on the relative orientation of the anthracene and C60 molecules at the interface, CT state splitting shows different behavior with respect to both applied field strength and applied field angle. The importance of the hot CT in helping the charge carrier dissociation is also analyzed in our scheme.

Theoretical Studies of Nanoclusters (Briefing Charts)

Science.gov (United States)

2015-07-23

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

Theoretical and experimental study of modes associated to ion cyclotron heating on TFR

International Nuclear Information System (INIS)

Pignol, L.

1985-05-01

In this work, the ion cyclotron wave evolution is followed thanks to a coherent scattering device using carbon dioxide laser radiation. A theoretical part presents the dispersion equation that obey the waves excited in the plasma by antenna emitting ion cyclotron frequency. Then measurements given by the diagnostic are given. Fast and slow waves evidenced theoretically, are experimentally observed. Two simple theoretical models allow to extract physical quantities characteristics of the two modes. These two modes are followed along the radial coordinate of the tore and their behavior through the hybrid curve is studied. measured spectra shape is shown to confirm the described numerical code validity. Time study of the slow wave shows of internal relaxation phenomenon of plasma [fr

Organizational Learning and Product Design Management: Towards a Theoretical Model.

Science.gov (United States)

Chiva-Gomez, Ricardo; Camison-Zornoza, Cesar; Lapiedra-Alcami, Rafael

2003-01-01

Case studies of four Spanish ceramics companies were used to construct a theoretical model of 14 factors essential to organizational learning. One set of factors is related to the conceptual-analytical phase of the product design process and the other to the creative-technical phase. All factors contributed to efficient product design management…

Impacts modeling using the SPH particulate method. Case study

International Nuclear Information System (INIS)

Debord, R.

1999-01-01

The aim of this study is the modeling of the impact of melted metal on the reactor vessel head in the case of a core-meltdown accident. Modeling using the classical finite-element method alone is not sufficient but requires a coupling with particulate methods in order to take into account the behaviour of the corium. After a general introduction about particulate methods, the Nabor and SPH (smoothed particle hydrodynamics) methods are described. Then, the theoretical and numerical reliability of the SPH method is determined using simple cases. In particular, the number of neighbours significantly influences the preciseness of calculations. Also, the mesh of the structure must be adapted to the mesh of the fluid in order to reduce the edge effects. Finally, this study has shown that the values of artificial velocity coefficients used in the simulation of the BERDA test performed by the FZK Karlsruhe (Germany) are not correct. The domain of use of these coefficients was precised during a low speed impact. (J.S.)

Exploring inductive risk case studies of values in science

CERN Document Server

Richards, Ted

2017-01-01

Science is the most reliable means available for understanding the world around us and our place in it. But, since science draws conclusions based on limited empirical evidence, there is always a chance that a scientific inference will be incorrect. That chance, known as inductive risk, is endemic to science. Though inductive risk has always been present in scientific practice, the role of values in responding to it has only recently gained extensive attention from philosophers, scientists, and policy-makers. Exploring Inductive Risk brings together a set of eleven concrete case studies with the goals of illustrating the pervasiveness of inductive risk, assisting scientists and policymakers in responding to it, and moving theoretical discussions of this phenomenon forward. The case studies range over a wide variety of scientific contexts, including the drug approval process, high energy particle physics, dual-use research, climate science, research on gender disparities in employment, clinical trials, and to...

The Effect of Teacher's Assistance on Malaysian Rural Learners' Writing Self-Efficacy: A Case Study

Science.gov (United States)

Jalaluddin, Ilyana; Yunus, Melor Md.; Yamat, Hamidah

2011-01-01

The purpose of the study is to explore the Malaysian rural learners' self-efficacy in writing after assistance given by a teacher. The social cognitive theory and socio-cultural theory are used as the theoretical framework to pursue the discussion on the effects of teacher's assistance on learners' writing self-efficacy. A case study approach is…

Theoretical study of catalytic hydrogenation of oxirane and its methyl ...

African Journals Online (AJOL)

C3H6O) is its methyl derivative. Theoretical studies on catalytic hydrogenation of both compounds, in presence of aluminium chloride (AlCl3) catalyst, are carried out. The products of reactions are ethanol and propan-1-ol from oxirane and ...

An experimental and theoretical study of reaction steps relevant to the methanol-to-hydrocarbons reaction

Energy Technology Data Exchange (ETDEWEB)

Svelle, Stian

2004-07-01

The primary objective of the present work is to obtain new insight into the reaction mechanism of the zeolite catalyzed methanol-to-hydrocarbons (MTH) reaction. It was decided to use both experimental and computational techniques to reach this goal. An investigation of the n-butene + methanol system was therefore initiated. Over time, it became apparent that it was possible to determine the rate for the methylation of n-butene by methanol. The ethene and propene systems were therefore reexamined in order to collect kinetic information also for those cases. With the development of user-friendly quantum chemistry programs such as the Gaussian suite of programs, the possibility of applying quantum chemical methods to many types of problems has become readily available even for non-experts. When performing mechanistic studies, there is quite often a considerable synergy effect when combining experimental and computational approaches. The methylation reactions mentioned above turned out to be an issue well suited for quantum chemical investigations. The incentive for examining the halomethane reactivity was the clear analogy to the MTH reaction system. Alkene dimerization was also a reaction readily examined with quantum chemistry. As discussed in the introduction of this thesis, polymethylbenzenes, or their cationic counterparts, are suspected to be key intermediates in the MTH reaction. It was therefore decided to investigate the intrinsic reactivity of these species in the gas-phase by employing sophisticated mass spectrometric (MS) techniques in collaboration with the MS group at the Department of Chemistry, University of Oslo The data thus obtained will also be compared with results from an ongoing computational study on gas phase polymethylbenzenium reactivity. 6 papers presenting various studies are included. The titles are: 1) A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites. 2) A Theoretical Investigation of the

Application of activity theory to analysis of human-related accidents: Method and case studies

International Nuclear Information System (INIS)

Yoon, Young Sik; Ham, Dong-Han; Yoon, Wan Chul

2016-01-01

This study proposes a new approach to human-related accident analysis based on activity theory. Most of the existing methods seem to be insufficient for comprehensive analysis of human activity-related contextual aspects of accidents when investigating the causes of human errors. Additionally, they identify causal factors and their interrelationships with a weak theoretical basis. We argue that activity theory offers useful concepts and insights to supplement existing methods. The proposed approach gives holistic contextual backgrounds for understanding and diagnosing human-related accidents. It also helps identify and organise causal factors in a consistent, systematic way. Two case studies in Korean nuclear power plants are presented to demonstrate the applicability of the proposed method. Human Factors Analysis and Classification System (HFACS) was also applied to the case studies. The results of using HFACS were then compared with those of using the proposed method. These case studies showed that the proposed approach could produce a meaningful set of human activity-related contextual factors, which cannot easily be obtained by using existing methods. It can be especially effective when analysts think it is important to diagnose accident situations with human activity-related contextual factors derived from a theoretically sound model and to identify accident-related contextual factors systematically. - Highlights: • This study proposes a new method for analysing human-related accidents. • The method was developed based on activity theory. • The concept of activity system model and contradiction was used in the method. • Two case studies in nuclear power plants are presented. • The method is helpful to consider causal factors systematically and comprehensively.

Investigating nurse practitioners in the private sector: a theoretically informed research protocol.

Science.gov (United States)

Adams, Margaret; Gardner, Glenn; Yates, Patsy

2017-06-01

To report a study protocol and the theoretical framework normalisation process theory that informs this protocol for a case study investigation of private sector nurse practitioners. Most research evaluating nurse practitioner service is focused on public, mainly acute care environments where nurse practitioner service is well established with strong structures for governance and sustainability. Conversely, there is lack of clarity in governance for emerging models in the private sector. In a climate of healthcare reform, nurse practitioner service is extending beyond the familiar public health sector. Further research is required to inform knowledge of the practice, operational framework and governance of new nurse practitioner models. The proposed research will use a multiple exploratory case study design to examine private sector nurse practitioner service. Data collection includes interviews, surveys and audits. A sequential mixed method approach to analysis of each case will be conducted. Findings from within-case analysis will lead to a meta-synthesis across all four cases to gain a holistic understanding of the cases under study, private sector nurse practitioner service. Normalisation process theory will be used to guide the research process, specifically coding and analysis of data using theory constructs and the relevant components associated with those constructs. This article provides a blueprint for the research and describes a theoretical framework, normalisation process theory in terms of its flexibility as an analytical framework. Consistent with the goals of best research practice, this study protocol will inform the research community in the field of primary health care about emerging research in this field. Publishing a study protocol ensures researcher fidelity to the analysis plan and supports research collaboration across teams. © 2016 John Wiley & Sons Ltd.

A theoretical case study of type I and type II beta-turns.

Science.gov (United States)

Czinki, Eszter; Császár, Attila G; Perczel, András

2003-03-03

NMR chemical shielding anisotropy tensors have been computed by employing a medium size basis set and the GIAO-DFT(B3LYP) formalism of electronic structure theory for all of the atoms of type I and type II beta-turn models. The models contain all possible combinations of the amino acid residues Gly, Ala, Val, and Ser, with all possible side-chain orientations where applicable in a dipeptide. The several hundred structures investigated contain either constrained or optimized phi, psi, and chi dihedral angles. A statistical analysis of the resulting large database was performed and multidimensional (2D and 3D) chemical-shift/chemical-shift plots were generated. The (1)H(alpha-13)C(alpha), (13)C(alpha-1)H(alpha-13)C(beta), and (13)C(alpha-1)H(alpha-13)C' 2D and 3D plots have the notable feature that the conformers clearly cluster in distinct regions. This allows straightforward identification of the backbone and side-chain conformations of the residues forming beta-turns. Chemical shift calculations on larger For-(L-Ala)(n)-NH(2) (n=4, 6, 8) models, containing a single type I or type II beta-turn, prove that the simple models employed are adequate. A limited number of chemical shift calculations performed at the highly correlated CCSD(T) level prove the adequacy of the computational method chosen. For all nuclei, statistically averaged theoretical and experimental shifts taken from the BioMagnetic Resonance Bank (BMRB) exhibit good correlation. These results confirm and extend our previous findings that chemical shift information from selected multiple-pulse NMR experiments could be employed directly to extract folding information for polypeptides and proteins.

Charging/discharging processes in nanocrystaline MOS structures - Theoretical study

International Nuclear Information System (INIS)

Tanous, D; Mazurak, A; Majkusiak, B

2016-01-01

We present the study of impact of some parameters of the metal-insulator-semiconductor structure with nanocrystals embedded in the insulator layer on the current-voltage and capacitance-voltage characteristics with the bias voltage ramp rate as a parameter. The developed model is used as a tool for theoretical understanding the physics behind charging and discharging processes in the considered structures. (paper)

Theoretical Studies in Elementary Particle Physics

Energy Technology Data Exchange (ETDEWEB)

Collins, John C.; Roiban, Radu S

2013-04-01

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

Anxiety or neurosis: case report study

Directory of Open Access Journals (Sweden)

Miloš Židanik

2005-11-01

Full Text Available Background: With the publication of the Diagnostic and Statistical Manual, Third Edition (DSM-III in 1980, anxiety disorder was first identified as a diagnostic entity. A new theoretical approach regarding aetiology of anxiety disorders came next into the view, far from Freud’s psychoanalytical pathways. The consequences were new therapeutic guidelines, including psychopharmacotherapy and the use of behavioural and cognitive psychotherapy.Methods: The paper presents a case report study of a patient with social phobia. The use of analytical oriented psychotherapy, which helped to resolve Axis I symptoms, is described.Conclusions: In spite of new therapeutic guidelines there is still a certain population of patients with the need for psychoanalytical oriented psychotherapy. If we are to surrender the Freud’s legacy to the medical history, we will weaken psychiatry as a science and will narrow our therapeutic field.

SOCIOLOGICAL UNDERSTANDING OF INTERNET: THEORETICAL APPROACHES TO THE NETWORK ANALYSIS

Directory of Open Access Journals (Sweden)

D. E. Dobrinskaya

2016-01-01

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

Branding Prince Edward County as a Gastronomic Niche Tourism Destination: A Case Study

OpenAIRE

Geneviève Brisson; Rocci Luppicini

2015-01-01

Increasingly, gastronomy is playing a role in people's motivation for travel, and destinations are making food and beverages their main attraction. This study explored the growing field of gastronomic tourism, a type of niche tourism, through the theoretical framework of destination branding theory. Using a qualitative case study research design, this research examined the branding of the emergent region of Prince Edward County, Ontario, Canada as a gastronomic niche tourism destination from ...

Micro sociological study of family relationships: heuristic potential theoretical principles

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O. P. Zolotnyik

2015-03-01

Full Text Available This article is devoted to demonstrate the heuristic potential of theoretical principles by microsoсiological analysis of one of the indicators of family – family relations. Theoretical analysis of the interaction experience is quite large, but there is the question about it’s possibility to describe the specifics of that relationship that arise in family interaction. The study of family relationships requires an integrated approach to the comprehension of many related components: system of spouses value orientations, family life cycle, socio­economic living conditions of couple. However, the accentuation exactly on action­behavioral aspect allows to make assumptions about correlations between: success of family interaction and microclimate in the family; satisfaction level of interpersonal interaction and overall satisfaction with marriage, familiarity of family interaction and density of childbearing, and so on. The presentation of microsoсiological theoretical achievements will be carried out of sociological schools, orientations and their members that are the most popular references in this area. this paper will presents the theory of exchange, supporters of symbolic interactionism, dramatic and etnometodological approach and family systems theory.

Theoretical study of the lowest-lying electronic states of Aluminium monoiodide

International Nuclear Information System (INIS)

Taher, F.; Kabbani, A.; Ani-El Houte, W.

2004-01-01

Full text.The spectroscopic study of Aluminium monohalides, especially the Aluminium monoiodide, is important for monitoring such species in high temperature fast-flow reactors. Theoretical calculations of AlI are not available, whereas several studies have been done for the other aluminium monohalides. In this work, CAS-SCF/MRCI calculations are performed for the lowest-lying electronic states of AlI in a range of internuclear distance between 2.30 A and 2.80 A. Ab-initio calculations have been effectuated by using the computational chemistry program Molpro. The basis set used in this study for aluminium atom is that used by Langhoff for aluminium monohalides, of contractions using atomic natural orbitals and a pseudopotential is used for iode. Accurate theoretical spectroscopic constants and potential curves are obtained for the ground state X 1 Σ + and the first excited states a 3 Π and A 1 Π. The calculated values of Te, ωe, ωexe and re of these states are compatible with the experimental results. An ordering of states is represented for the lowest five predicted singlet and lowest five predicted triplet states. These results provide a big support to determine the analogy in the ordering of the electronic states in AlF, AlBr and AlI respectively at lower energies. These theoretical results identify a set of electronic singlet and triplet states unobserved experimentally

Experimental, theoretical, and numerical studies of small scale combustion

Science.gov (United States)

Xu, Bo

to describe the competition between the mass transport in gas phase and the heat conduction in gas and solid phases was defined. Experimental observation and theoretical analysis suggested that the flame-wall coupling significantly increased the effective Lewis number and led to a new mechanism to promote the thermal diffusion instability. Due to the short flow residence time in small scale combustion, reactants, and oxidizers may not be able to be fully premixed before combustion. As such, non-premixed combustion plays an important role. Non-premixed mixing layer combustion within a constrained mesoscale channel was studied. Depending on the flow rate, it was found that there were two different flame regimes, an unsteady bimodal flame regime and a flame street regime with multiple stable triple flamelets. This multiple triple flame structure was identified experimentally for the first time. A scaling analytical model was developed to qualitatively explain the mechanism of flame streets. The effects of flow velocity, wall temperature, and Lewis number on the distance between flamelets and the diffusion flame length were also investigated. The results showed that the occurrence of flame street regimes was a combined effect of heat loss, curvature, diffusion, and dilution. To complete this thesis, experiments were conducted to measure the OH concentration using Planar Laser Induced Fluorescence (PLIF) in a confined mesoscale combustor. Some preliminary results have been obtained for the OH concentration of flamelets in a flame street. When the scale of the micro reactor is further reduced, the rarefied gas effect may become significant. In this thesis, a new concentration slip model to describe the rarefied gas effect on the species transport in microscale chemical reactors was obtained. The present model is general and recovers the existing models in the limiting cases. The analytical results showed the concentration slip was dominated by two different mechanisms, the

Experimental and theoretical study of steam condensation induced water hammer phenomena

International Nuclear Information System (INIS)

Barna, Imre Ferenc; Baranyai, Gabor; Ezsoel, Gyoergy

2009-01-01

We investigate steam condensation induced water hammer (waha) phenomena and present experimental and theoretical results. Some of the experiments were performed in the PMK-2 facility, which is a full-pressure thermohydraulic model of the nuclear power plant of VVER-440/312 type and located in the Atomic Energy Research Institute Budapest, Hungary. Other experiments were done in the ROSA facility in Japan. On the theoretical side waha is studied and analyzed with the WAHA3 model based on two-phase flow six first-order partial differential equations that present one dimensional, surface averaged mass, momentum and energy balances. A second order accurate high-resolution shock-capturing numerical scheme was applied with different kind of limiters in the numerical calculations. The applied two-fluid model shows some similarities to Relap5 which is widely used in the nuclear industry to simulate nuclear power plant accidents. Experimentally measured and theoretically calculated waha pressure peaks are in qualitative agreement. (author)

How to Create Business Value through Information Technology (A Case Study on Automotive Production

Directory of Open Access Journals (Sweden)

Kamran Feizi

2018-03-01

Full Text Available This study aimed at designing information technology business value model in order to explain the value of information technology in business and evaluate information technology contribution in organization function. For the purpose of a comprehensive analysis of the subject using qualitative data, the research method was set to be mixed method focusing on qualitative sequential design. The first stage of the research strategy was an exploratory single case study and for the second phase, the researchers used focus groups design. Saipa Corporation, one of the most famous firms in Iranian automotive industry, was selected as the case. The varied qualitative date were gathered through interview, document review and observation methods and were analyzed afterwards. Ultimately, the findings of the study highlighted the items and dimensions of information technology business value. This model is composed of the relationship between different dimensions of the theoretical models regarding and the share of information technology in building a business. In order to ensure research generalizability, the results of the research were compared with those in the literature review and the theoretic adequacy of the proposed framework was confirmed.

The pressure distribution for biharmonic transmitting array: theoretical study

Science.gov (United States)

Baranowska, A.

2005-03-01

The aim of the paper is theoretical analysis of the finite amplitude waves interaction problem for the biharmonic transmitting array. We assume that the array consists of 16 circular pistons of the same dimensions that regrouped in two sections. Two different arrangements of radiating elements were considered. In this situation the radiating surface is non-continuous without axial symmetry. The mathematical model was built on the basis of the Khokhlov - Zabolotskaya - Kuznetsov (KZK) equation. To solve the problem the finite-difference method was applied. On-axis pressure amplitude for different frequency waves as a function of distance from the source, transverse pressure distribution of these waves at fixed distances from the source and pressure amplitude distribution for them at fixed planes were examined. Especially changes of normalized pressure amplitude for difference frequency were studied. The paper presents mathematical model and some results of theoretical investigations obtained for different values of source parameters.

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....

Theoretical and experimental study of resonant inelastic X-ray scattering for NiO

International Nuclear Information System (INIS)

Kotani, A.; Matsubara, M.; Uozumi, T.; Ghiringhelli, G.; Fracassi, F.; Dallera, C.; Tagliaferri, A.; Brookes, N.B.; Braicovich, L.

2006-01-01

Resonant inelastic X-ray scattering (RIXS) spectra for Ni 2p to 3d excitation and 3d to 2p de-excitation of NiO are studied both theoretically and experimentally. Theoretical calculations with a single impurity Anderson model (SIAM) describe the charge transfer (CT) and d-d excitations in RIXS, and detailed study is made for the CT energy. High resolution RIXS measurements reveal the precise d-d excitation structure and its polarization dependence, and they are well reproduced by the SIAM calculation

THE NATURE OF USING VIRTUAL WORLDS BY A CHILD AS A LEARNING PLATFORM: A Case Study

Directory of Open Access Journals (Sweden)

Ahmet BAYTAK

2011-08-01

Full Text Available The development of new technologies is found inevitable and children interests toward online platforms and virtual worlds are rapidly growing. In addition, there is a consensus that use of technology for primary or secondary school education is effective for achievement and motivation. In research and practice there are many educational implementations of technology in classrooms that were found useful.Similar to most qualitative studies, the purpose of this study also cannot be narrowed down to a single sentence but the overarching aim of the study is to explore the nature of using virtual worlds as a learning platform during. The theoretical background of this study is rooted from the constructivism and constructionism learning approaches. Consisted with its theoretical framework, this study has followed a qualitative case study research method to explore the nature of the construct. The case is a bounded system that is narrowed to a single case (Merriam, 1988; Stake, 1995; Yin, 2003. There are various types of data collected within this system. Based on the data collected and the research-suggested case study data analysis approaches, the following themes were emerged; realty, learning by discovering, learning by design, scaffolding and chunking information, and real life desires.After using Whyville virtual platform, the aim of this study was expected to start new discussion on young children using more complex virtual worlds such as Second Life. Thus, the results of this study could be guidance for transmission process of children toward Second Life type of virtual worlds. Even though a further discussion may need about the nature of using the virtual worlds, the primary findings of these case studies suggest some practical implications for children’s education.

Theoretical Developments In Environmental Management Accounting And The Role And Importance Of MFCA

Directory of Open Access Journals (Sweden)

Doorasamy Mishelle

2015-06-01

Full Text Available Environmental Management Accounting (EMA is a broader concept of accounting which uses accounting tools and practices to support company-internal management decision making on environmental issues and its impact on company performance. Research on EMA can be divided into two broad categories: theoretical and empirical studies. The theoretical studies based on framework that aim to explain the nature of the relationship between economic and environmental performance and the adoption of Environmental Management Accounting in a business environment. The empirical studies follow two lines of research, instrumental studies aim to empirically test the relationships hypothesized in theoretical studies; descriptive studies are intended to examine the factors that encourage the adoption of EMA. This review paper examined the role of MFCA in identifying non-product output (waste and its impact on an organisations profitability. Various case studies are examined in this article that demonstrates MFCA to an important environmental management tool to ensure future sustainability of an organisation.

Theoretical Study on the Flow of Refilling Stage in a Safety Injection Tank

Energy Technology Data Exchange (ETDEWEB)

Park, Jun Sang [Halla Univ. Daejeon (Korea, Republic of)

2017-10-15

In this study, a theoretical analysis was performed to the flow of refilling stage in a safety injection tank, which is the core cooling system of nuclear power plant in an emergency. A theoretical model was proposed with a nonlinear governing equation defining on the flow of the refilling process of the coolant. Utilizing the Taylor-series expansion, the 1st - order approximation flow equation was obtained, along with its analytic solution of closed type, which could predict accurately the variations of free surface height and flow rate of the coolant. The availability of theoretical result was confirmed by comparing with previous experimental results.

Theoretical and experimental studies of elementary physics

International Nuclear Information System (INIS)

Bodek, A.; Ferbel, T.; Melissinos, A.C.; Slattery, P.; Tipton, P.; Das, A.; Hagen, C.R.; Rajeev, S.G.; Okubo, S.; Orr, L.

1993-01-01

The various components of the high-energy physics research program at the University of Rochester are presented. (I)Fixed-target experimentation at FNAL includes studies of direct photon production by p and π on H, Be, and Cu, and hybrid mesons and other physics issues in Coulomb excitation at high energies. (II)The status of the GEM (Gammas, Electrons, and Muons) Experiment at the SSC is given. (III)The D-Zero experiment at FNAL is reviewed. (IV)Deep inelastic lepton--nucleon scattering experiments are summarized: electron scattering experiments at SLAC, FNAL neutrino quad triplet runs, FNAL neutrino sign selected experiments, and SDC cosmic ray test and test beam calibration. (V)Studies of nonlinear QED at SLAC concentrated on a study of QED at critical field strength in intense laser--high-energy electron collisions. (VI)Development work on the Collider Detector at Fermilab (CDF) emphasized the CDF silicon vertex detector, the end plug calorimeter, and the SDC tile/fiber calorimetry. (VII)The theoretical physics effort is sketched

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

Electromagnetic nuclear life time - theoretical context

International Nuclear Information System (INIS)

Niez, J.J.

2000-01-01

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

Notes on the Altazor case (preceded by a theoretical drifting

Directory of Open Access Journals (Sweden)

Daniel Glaydson Ribeiro

2012-06-01

Full Text Available Precede by a brief theoretical drifting about the great poet and the conditions of its appearance (mythic and/or mythological - and also a differential hypothesis about the lyric and the epic -, this is an essay engaged in comprehending the narrative entitled Altazor, eighty years after its publication.

A theoretical study of rotatable renewable energy system for stratospheric airship

International Nuclear Information System (INIS)

Lv, Mingyun; Li, Jun; Zhu, Weiyu; Du, Huafei; Meng, Junhui; Sun, Kangwen

2017-01-01

Highlights: • A new rotatable renewable energy system is designed for stratospheric airship. • A theoretical model of optimal rotation angle and required area are studied. • The effects of latitude and date on output energy per day are investigated. • The advantages of the rotatable renewable energy system are studied. - Abstract: Renewable energy system is very critical for solving the energy problem of a long endurance stratospheric airship. Output performance of the traditional solar array fixed on the upper surface of the airship remains to be improved to reduce the area and weight of renewable energy system. Inspired by the solar tracking system and kirigami, a rotatable renewable energy system (mainly including solar array) is designed to improve the current status of the energy system. The advantages of the rotatable solar array are studied using a MATLAB computer program based on the theoretical model established in this paper. The improvements in output energy and required area of the solar array were compared between the traditional airship and improved one. Studies had shown that the rotatable renewable energy system made the total weight of energy system decreased by 1000 kg when the maximum design speed of the airship was greater than 22 m/s. The results demonstrate that the rotatable renewable energy system for the airship can be a good way to improve the output performance of solar array, and the conceptual design and theoretical model suggest a pathway towards solving the energy problem of a stratospheric airship.

Experimental studies of caesium iodide aerosol condensation: theoretical interpretation

International Nuclear Information System (INIS)

Beard, A.M.; Benson, C.G.; Horton, K.D.; Buckle, E.R.

1990-07-01

Caesium iodide is predicted to be a significant source of fission product aerosols during the course of a severe accident in a pressurised water reactor (PWR). The nucleation and growth of caesium iodide aerosols have been studied using a plume chamber and the results compared with theoretical values calculated using the approach developed by Buckle for aerosol nucleation. The morphology of the particles was studied using scanning electron microscopy (SEM) and transmission optical microscopy (TOM), whilst the particle size distributions were determined from differential mobility (DMPS) and aerodynamic (APS) measurements. (author)

THE TRAINING AND COMPETENCE CONSTRUCTION FOR THE EXECUTIVE SECRETARIES SKILLS AND PERFORMANCE - A STUDY OF CASE AT A ENTREPRENEURIAL COMPANY

Directory of Open Access Journals (Sweden)

Thays Ferreira Lima

2011-04-01

Full Text Available The Junior Companies exist to create bonds between the labor market and academic environment, providing the students the opportunity to apply their theoretical knowledge acquired during their classes, in order to support learning and enable these students to be complete professionals and prepared to join a corporate environment. However, the theoretical knowledge offered in the subjects during the undergraduate program are not always sufficient to enable the students to face the development of company activities. So, this paper has its content based on other researches, theoretical arguments and experiences acquired during the Trilingual Executive Secretariat undergraduate program, with the aim at studying the members´ competences required to develop their activities in a Trilingual Executive Secretariat Junior Company of a Paraná state university. This research was developed under the procedure of qualitative approach, using a case study. Through participant observation, the company data were collected. Examining the current course curriculum offered by the University analyzed and comparing it with those of other reputable universities that offer this same course and, considering the theoretical approach adopted, some subjects that have relevant theoretical content that are not present in this curriculum were identified and, according to this, some training courses to fill the gaps existing in the curriculum were suggested. This paper expands the available information to the Trilingual Executive Secretariat students, contributing to the evolution of studies in organizational environment, which are little researched, as is the case of Junior Companies.

Backward Dependencies and in-Situ wh-Questions as Test Cases on How to Approach Experimental Linguistics Research That Pursues Theoretical Linguistics Questions

Science.gov (United States)

Pablos, Leticia; Doetjes, Jenny; Cheng, Lisa L.-S.

2018-01-01

The empirical study of language is a young field in contemporary linguistics. This being the case, and following a natural development process, the field is currently at a stage where different research methods and experimental approaches are being put into question in terms of their validity. Without pretending to provide an answer with respect to the best way to conduct linguistics related experimental research, in this article we aim at examining the process that researchers follow in the design and implementation of experimental linguistics research with a goal to validate specific theoretical linguistic analyses. First, we discuss the general challenges that experimental work faces in finding a compromise between addressing theoretically relevant questions and being able to implement these questions in a specific controlled experimental paradigm. We discuss the Granularity Mismatch Problem (Poeppel and Embick, 2005) which addresses the challenges that research that is trying to bridge the representations and computations of language and their psycholinguistic/neurolinguistic evidence faces, and the basic assumptions that interdisciplinary research needs to consider due to the different conceptual granularity of the objects under study. To illustrate the practical implications of the points addressed, we compare two approaches to perform linguistic experimental research by reviewing a number of our own studies strongly grounded on theoretically informed questions. First, we show how linguistic phenomena similar at a conceptual level can be tested within the same language using measurement of event-related potentials (ERP) by discussing results from two ERP experiments on the processing of long-distance backward dependencies that involve coreference and negative polarity items respectively in Dutch. Second, we examine how the same linguistic phenomenon can be tested in different languages using reading time measures by discussing the outcome of four self

Backward Dependencies and in-Situ wh-Questions as Test Cases on How to Approach Experimental Linguistics Research That Pursues Theoretical Linguistics Questions.

Science.gov (United States)

Pablos, Leticia; Doetjes, Jenny; Cheng, Lisa L-S

2017-01-01

The empirical study of language is a young field in contemporary linguistics. This being the case, and following a natural development process, the field is currently at a stage where different research methods and experimental approaches are being put into question in terms of their validity. Without pretending to provide an answer with respect to the best way to conduct linguistics related experimental research, in this article we aim at examining the process that researchers follow in the design and implementation of experimental linguistics research with a goal to validate specific theoretical linguistic analyses. First, we discuss the general challenges that experimental work faces in finding a compromise between addressing theoretically relevant questions and being able to implement these questions in a specific controlled experimental paradigm. We discuss the Granularity Mismatch Problem (Poeppel and Embick, 2005) which addresses the challenges that research that is trying to bridge the representations and computations of language and their psycholinguistic/neurolinguistic evidence faces, and the basic assumptions that interdisciplinary research needs to consider due to the different conceptual granularity of the objects under study. To illustrate the practical implications of the points addressed, we compare two approaches to perform linguistic experimental research by reviewing a number of our own studies strongly grounded on theoretically informed questions. First, we show how linguistic phenomena similar at a conceptual level can be tested within the same language using measurement of event-related potentials (ERP) by discussing results from two ERP experiments on the processing of long-distance backward dependencies that involve coreference and negative polarity items respectively in Dutch. Second, we examine how the same linguistic phenomenon can be tested in different languages using reading time measures by discussing the outcome of four self

Backward Dependencies and in-Situ wh-Questions as Test Cases on How to Approach Experimental Linguistics Research That Pursues Theoretical Linguistics Questions

Directory of Open Access Journals (Sweden)

Leticia Pablos

2018-01-01

Full Text Available The empirical study of language is a young field in contemporary linguistics. This being the case, and following a natural development process, the field is currently at a stage where different research methods and experimental approaches are being put into question in terms of their validity. Without pretending to provide an answer with respect to the best way to conduct linguistics related experimental research, in this article we aim at examining the process that researchers follow in the design and implementation of experimental linguistics research with a goal to validate specific theoretical linguistic analyses. First, we discuss the general challenges that experimental work faces in finding a compromise between addressing theoretically relevant questions and being able to implement these questions in a specific controlled experimental paradigm. We discuss the Granularity Mismatch Problem (Poeppel and Embick, 2005 which addresses the challenges that research that is trying to bridge the representations and computations of language and their psycholinguistic/neurolinguistic evidence faces, and the basic assumptions that interdisciplinary research needs to consider due to the different conceptual granularity of the objects under study. To illustrate the practical implications of the points addressed, we compare two approaches to perform linguistic experimental research by reviewing a number of our own studies strongly grounded on theoretically informed questions. First, we show how linguistic phenomena similar at a conceptual level can be tested within the same language using measurement of event-related potentials (ERP by discussing results from two ERP experiments on the processing of long-distance backward dependencies that involve coreference and negative polarity items respectively in Dutch. Second, we examine how the same linguistic phenomenon can be tested in different languages using reading time measures by discussing the outcome of

Strong correlation effects in theoretical STM studies of magnetic adatoms

Science.gov (United States)

Dang, Hung T.; dos Santos Dias, Manuel; Liebsch, Ansgar; Lounis, Samir

2016-03-01

We present a theoretical study for the scanning tunneling microscopy (STM) spectra of surface-supported magnetic nanostructures, incorporating strong correlation effects. As concrete examples, we study Co and Mn adatoms on the Cu(111) surface, which are expected to represent the opposite limits of Kondo physics and local moment behavior, using a combination of density functional theory and both quantum Monte Carlo and exact diagonalization impurity solvers. We examine in detail the effects of temperature T , correlation strength U , and impurity d electron occupancy Nd on the local density of states. We also study the effective coherence energy scale, i.e., the Kondo temperature TK, which can be extracted from the STM spectra. Theoretical STM spectra are computed as a function of STM tip position relative to each adatom. Because of the multiorbital nature of the adatoms, the STM spectra are shown to consist of a complicated superposition of orbital contributions, with different orbital symmetries, self-energies, and Kondo temperatures. For a Mn adatom, which is close to half-filling, the STM spectra are featureless near the Fermi level. On the other hand, the quasiparticle peak for a Co adatom gives rise to strongly position-dependent Fano line shapes.

No Need to Wait for Superman: A Case Study of One Unique High School

Science.gov (United States)

Ratcliff, N. J.; Jones, C. R.; Costner, R. H.; Knight, C.; Disney, G.; Savage-Davis, E.; Sheehan, H.; Hunt, G. H.

2012-01-01

Based on a theoretical model developed by Schlechty, this case study focuses on a small high school, located on a college campus and designed to address the educational needs of gifted 9th- through 12th-grade students. Eight teachers who taught 9th- and 12th-grade classes and their 60 students were observed. Each teacher was observed during six…

Understanding the Impact of Business Cases on IT Investment Decisions

DEFF Research Database (Denmark)

Berghout, Egon; Tan, Chee-Wee

2013-01-01

This study synthesizes the extant literature to derive an integrative developmental framework for IT business cases that can be applied to diagnose the feasibility of technological investments. We then construct a theoretical model that postulates the impact of IT business case elements on the in......This study synthesizes the extant literature to derive an integrative developmental framework for IT business cases that can be applied to diagnose the feasibility of technological investments. We then construct a theoretical model that postulates the impact of IT business case elements...... on the initial cost estimates of technological investments. Subsequently, our theoretical model is subjected to empirical validation through content analysis of IT business cases developed for municipal e-government projects. Findings indicate that the richness of the richness of business cases translates...... to more initial costs being identified in technological investments, thereby conserving resources for the organization through informed investment decisions....

Theoretical and experimental study of radon measurement with designing and calibration domestic canister with active charcoal

International Nuclear Information System (INIS)

Urosevic, V.; Nikezic, D.; Zekic, R.

2005-01-01

Radon concentration in air may change significantly large variation due to atmospheric variation. Measurement with active charcoal can be inaccurate because the variation in radon concentration. We made model to simulate radon measurements with active charcoal in order to optimize and improve integration characteristic. A numerical method and computer code based on the method of finite elements is developed for the case of variable radon concentration in air. This program simulates radon adsorption by the activated charcoal bed, enabling determination of sensitivity. The dependence of sensitivity on different parameters, such as temperature, thickness of the charcoal, etc. was studied using this program. Using results of theoretical investigation we designed and calibrated our canister with active charcoal for radon measurements. (author)

Correction: Experimental and theoretical studies of nanofluid thermal conductivity enhancement: a review

Directory of Open Access Journals (Sweden)

Kleinstreuer Clement

2011-01-01

Full Text Available Abstract Correction to Kleinstreuer C, Feng Y: Experimental and theoretical studies of nanofluid thermal conductivity enhancement: a review. Nanoscale Research Letters 2011, 6:229.

Theoretical Studies of Strongly Interacting Fine Particle Systems

Science.gov (United States)

Fearon, Michael

Available from UMI in association with The British Library. A theoretical analysis of the time dependent behaviour of a system of fine magnetic particles as a function of applied field and temperature was carried out. The model used was based on a theory assuming Neel relaxation with a distribution of particle sizes. This theory predicted a linear variation of S_{max} with temperature and a finite intercept, which is not reflected by experimental observations. The remanence curves of strongly interacting fine-particle systems were also investigated theoretically. It was shown that the Henkel plot of the dc demagnetisation remanence vs the isothermal remanence is a useful representation of interactions. The form of the plot was found to be a reflection of the magnetic and physical microstructure of the material, which is consistent with experimental data. The relationship between the Henkel plot and the noise of a particulate recording medium, another property dependent on the microstructure, is also considered. The Interaction Field Factor (IFF), a single parameter characterising the non-linearity of the Henkel plot, is investigated. These results are consistent with a previous experimental study. Finally the results of the noise power spectral density for erased and saturated recording media are presented, so that characterisation of interparticle interactions may be carried out with greater accuracy.

Theoretical studies of transition metal complexes with nitriles and isocyanides

International Nuclear Information System (INIS)

Kuznetsov, Maksim L

2002-01-01

Theoretical studies of transition metal complexes with nitriles and isocyanides are reviewed. The electronic structures and the nature of coordination bonds in these complexes are discussed. The correlation between the electronic structures of transition metal complexes with nitriles and isocyanides and their structural properties, spectroscopic characteristics, and reactivities are considered. The bibliography includes 121 references.

Education-growth dynamics for Australia: A case study approach

Directory of Open Access Journals (Sweden)

Kunofiwa Tsaurai

2015-04-01

Full Text Available The main focus of this research is to establish the relevancy of the Keynesian theory in explaining education expenditure on the economy of Austria using a case study approach. Wagner (1890 and Keynes (1936 have been for a long time been the two major theorists on the relationship between education expenditure and economic growth. Both theoretical and empirical literature review concludes that the two variables relate to each other in two distinct ways, the popular one being that education boost the economy (Keynes view followed by the Wagner view that says it is the economy that is doing well that pushes investment in education. A case study review for Austria clearly shows that an increase in education expenditure does not only constitute a significant portion of the GDP per capita in Austria but also provided a positive influence on economic growth and development. The author recommends Austria policymakers and responsible authorities to up their education development programmes and budgets in order to lay a strong foundation for sustainable economic growth and prosperity.

An experimental and theoretical study of reaction steps relevant to the methanol-to-hydrocarbons reaction

Energy Technology Data Exchange (ETDEWEB)

Svelle, Stian

2004-07-01

The primary objective of the present work is to obtain new insight into the reaction mechanism of the zeolite catalyzed methanol-to-hydrocarbons (MTH) reaction. It was decided to use both experimental and computational techniques to reach this goal. An investigation of the n-butene + methanol system was therefore initiated. Over time, it became apparent that it was possible to determine the rate for the methylation of n-butene by methanol. The ethene and propene systems were therefore reexamined in order to collect kinetic information also for those cases. With the development of user-friendly quantum chemistry programs such as the Gaussian suite of programs, the possibility of applying quantum chemical methods to many types of problems has become readily available even for non-experts. When performing mechanistic studies, there is quite often a considerable synergy effect when combining experimental and computational approaches. The methylation reactions mentioned above turned out to be an issue well suited for quantum chemical investigations. The incentive for examining the halomethane reactivity was the clear analogy to the MTH reaction system. Alkene dimerization was also a reaction readily examined with quantum chemistry. As discussed in the introduction of this thesis, polymethylbenzenes, or their cationic counterparts, are suspected to be key intermediates in the MTH reaction. It was therefore decided to investigate the intrinsic reactivity of these species in the gas-phase by employing sophisticated mass spectrometric (MS) techniques in collaboration with the MS group at the Department of Chemistry, University of Oslo The data thus obtained will also be compared with results from an ongoing computational study on gas phase polymethylbenzenium reactivity. 6 papers presenting various studies are included. The titles are: 1) A Theoretical Investigation of the Methylation of Alkenes with Methanol over Acidic Zeolites. 2) A Theoretical Investigation of the

The generation of charge carriers in semi conductors – A theoretical study

CSIR Research Space (South Africa)

Kiarii, EM

2017-04-01

Full Text Available , vol. 678: 167-176 The generation of charge carriers in semi conductors – A theoretical study Kiarii EM Govender, Krishna K Ndungu PG Govender PG ABSTRACT: A systematic study of electronic and optical properties of titanium dioxide under...

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)

Theoretical study on loss of coolant accident of a research reactor

International Nuclear Information System (INIS)

Lee, Kwon-Yeong; Kim, Wan-Soo

2016-01-01

Highlights: • A theoretical model of siphon breaking phenomena was developed. • A general formula using Chisholm coefficient B was proposed. • The safety requirements regarding a loss of coolant accident of research reactors could be found out. - Abstract: Under the design conditions of a research reactor, the siphon phenomenon induced by pipe rupture can cause continuous efflux of water. In order to prevent water efflux, an additional facility is necessary. A siphon breaker is a type of safety facility that can resist the loss of coolant effectively. However, analysis of siphon breaking is complex since it comprises two-phase flow and there are many inputs to be considered. For this reason, we analyzed the experimental results to develop a theoretical model of siphon breaking phenomena. Developed model is based on fluid mechanics and Chisholm model. From Bernoulli’s equation, the velocity and quantity as well as undershooting height, water level, pressure, friction coefficient, and factors related to the two-phase flow could be calculated. The Chisholm model, which is able to analyze the two-phase flow, can predict the results in a manner similar to those obtained from a real-scale experiment, and a general formula using Chisholm coefficient B was proposed in this study. Also, we verified the theoretical model and concluded that it is possible to analyze the siphon breaking. Moreover, the design conditions that can satisfy the safety requirements regarding a loss of coolant accident of research reactors could be found out by using the theoretical model. In conclusion, we propose the theoretical model which can analyze the siphon breaking as real, and it is helpful not only to analyze but also to design the siphon breaker.

THEORETICAL AND EXPERIMENTAL STUDY OF STRUCTURES SUBJECTED TO EARTHQUAKES

Energy Technology Data Exchange (ETDEWEB)

Soubirou, A.

1967-12-31

The object of the study was the investigation of the behaviour of structures subject to earthquakes. After .describing and analysing seismic movements, useful concepts for earthquake-proofing structures are lintroduced. Then, the dynamic behaviour of systems with n degrees of freedom was studied in order to evolve the theoretical computation of seismic behaviour, a typical application being reticulated structures. The next stage was showing the computational procedure for seismic spectra and the natural frequencies of buildings, an attempt being made to define earthquake-proofing criteria for a special type of reinforced-concrete construction. . The last matter dealt with is elastoplastic behaviour of structures, a study of increasingly growing importance.

A theoretical study on interaction of proline with gold cluster

Indian Academy of Sciences (India)

with Au3 (Pakiari and Jamshidi 2007) and interaction of. ∗. Author for correspondence (harjinder.singh@iiit.ac.in) small gold clusters with xDNA base pairs (Sharma et al. 2009) have motivated us to carry out a theoretical study on interaction of proline with gold nanoparticles. Proline is unique among the natural amino acids ...

Box-Cox Test: the theoretical justification and US-China empirical study

Directory of Open Access Journals (Sweden)

Tam Bang Vu

2011-01-01

Full Text Available In econometrics, the derivation of a theoretical model leads sometimes to two econometric models, which can be considered justified based on their respective approximation approaches. Hence, the decision of choosing one between the two hinges on applied econometric tools. In this paper, the authors develop a theoretical econometrics consumer maximization model to measure the flow of durables’ expenditures where depreciation is added to former classical econometrics model. The proposed model was formulated in both linear and logarithmic forms. Box-Cox tests were used to choose the most appropriate one among them. The proposed model was then applied to the historical data from the U.S. and China for a comparative study and the results discussed.

Theoretical Foundations of Study of Cartography

Science.gov (United States)

Talhofer, Václav; Hošková-Mayerová, Šárka

2018-05-01

Cartography and geoinformatics are technical-based fields which deal with modelling and visualization of landscape in the form of a map. The theoretical foundation is necessary to obtain during study of cartography and geoinformatics based mainly on mathematics. For the given subjects, mathematics is necessary for understanding of many procedures that are connected to modelling of the Earth as a celestial body, to ways of its projection into a plane, to methods and procedures of modelling of landscape and phenomena in society and visualization of these models in the form of electronic as well as classic paper maps. Not only general mathematics, but also its extension of differential geometry of curves and surfaces, ways of approximation of lines and surfaces of functional surfaces, mathematical statistics and multi-criterial analyses seem to be suitable and necessary. Underestimation of the significance of mathematical education in cartography and geoinformatics is inappropriate and lowers competence of cartographers and professionals in geographic information science and technology to solve problems.

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.

Experimental and theoretical studies of manganite and magnetite compounds

International Nuclear Information System (INIS)

Srinitiwarawong, Chatchai

2002-01-01

In the recent years interest in the transition oxide compounds has renewed among researchers in the field of condensed matter physics. This thesis presents the studies of the two families of the transition oxides, the manganite and magnetite compounds. Manganite has regained the interest since the discovery of the large magnetoresistance around its Curie temperature in 1990s. Magnetite on the other hand is the oldest magnetic material known to man however some of its physical properties are still controversial. The experimental works address some basic properties of these compounds when fabricated in the form of thin films. These include the resistivity measurements and magnetic measurements as well as the Hall effect. The various models of transport mechanism have been compared. The magnetic field and the temperature dependence of magnetoresistance have also been studied. Simple devices such as an artificial grain boundary and bilayers thin film have been investigated. The second part of this thesis concentrates on the theoretical aspects of the fundamental physics behind these two compounds. The problem of electrons tunnelling between the magnetite electrodes has been addressed taking into account the surface effect with distortion. The last chapter presents a theoretical study of the spinless-Hubbard model which is the simplest approximation of the conduction electrons in magnetite and manganite. The results are obtained from the Hartree-Fock and the Hubbard-I approximations as well as the exact diagonalisation method. (author)

Positive Psychology and old age Psychology. Theoretical Intersections

OpenAIRE

Enrique Lombardo

2015-01-01

This article is a theoretical review of developments and research of the posi- tive psychology and of the psychology of aging. Some concepts that are in that intersection are: psychic capital, strengths, psychological wellbeing and emo- tional regulation. In all the cases they are positive psychic factors associated to the successful aging. Since the end of the 20th century, within the psychology of aging has been developing and achieved fundamental transformations in term of theoretical base...

Emerging Business Models in Education Provisioning: A Case Study on Providing Learning Support as Education-as-a-Service

Directory of Open Access Journals (Sweden)

Loina Prifti

2017-09-01

Full Text Available This study aims to give a deeper understanding on emerging business models in the context of education. Industry 4.0/the Industrial Internet in general and especially recent advances in cloud computing enable a new kind of service offering in the education sector and lead to new business models for education: Education-as-a-Service (EaaS. Within EaaS, learning, and teaching contents are delivered as services. By combining a literature review with a qualitative case study, this paper makes a three-fold contribution to the field of business models in education: First, we provide a theoretical definition for a common understanding of EaaS. Second, we present the state-of-the-art research on this new paradigm. Third, in the case study we describe a “best practices” business model of an existing EaaS provider. These insights build a theoretical foundation for further research in this area. The paper concludes with a research agenda for further research in this emerging field.

Case study as a means of evaluating the impact of early years leaders: Steps, paths and routes.

Science.gov (United States)

Hadfield, Mark; Jopling, Michael

2018-04-01

The paper argues that case study will need to play an increasingly important role in the evaluation of leadership development programmes as both formal and substantive theories of leadership place greater emphasis upon the role played by organizational context on leaders ability to bring about change. Prolonged engagement within a case study provides researchers with opportunities to capture the dynamics between leaders and their organisational contexts. However, adopting a case study approach is no substitute for inadequate theorization of the link between leadership approaches and leadership effects. The paper argues for the use of inclusive and expansive theoretical notions of leadership and its relationship to organisational context. The evaluation used to illustrate these arguments was based on a longitudinal multi-site case study methodology. The case studies ran over a three-year period and tracked the effect of 42 leaders on the quality of provision in some 30 early years settings. Both individual and collective theoires of leadership were used to trace leaders' steps, paths and routes to improvement. Three overlapping theoretical lenses were used to study the dynamics of these leaders interactions with a key aspect of their organisational contexts - the existing formal and informal leadership structures - and how these affected their attempts to improve the quality of provision of their settings. The analysis, and related findings, were tiered in order to provide progressively more detailed descriptions of the relationships between leaders' approaches and changes in their settings' quality of provision. Each layer of analysis operated with a causal logic that became gradually less general and linear and increasingly more 'local' and complex. Copyright © 2018 Elsevier Ltd. All rights reserved.

Theoretical Work for the Fast Zero-Power Reactor FR-0

Energy Technology Data Exchange (ETDEWEB)

Haeggblom, H

1965-08-15

The theoretical part of the fast reactor physics work in Sweden, has mainly been connected with the FR-0 reactor. The report describes the principal features of this reactor, evaluation of cross sections, calculations of critical masses, reactivity of the air gap and of control rods and calculations of neutron generation time and effective beta values. Carlson codes in spherical and in cylindrical geometry are used to evaluate critical masses and fluxes. In cases when reactivity changes are calculated, complementary methods are perturbation theory and variational calculus. The agreement with experiments is in some cases good, especially the determination of critical mass, but in other cases discrepancies are observed, e.g. the activation of U-238 in the reflector is much larger than the theoretical spectrum predicts.

Theoretical treatments of stimulated Raman scattering

International Nuclear Information System (INIS)

Uehara, Youichi; Sasaki, Wataru

1981-01-01

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

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

Directory of Open Access Journals (Sweden)

Xiaojin Li

2013-01-01

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

Theoretical and experimental study of thermoacoustic engines

Science.gov (United States)

Raspet, Richard; Bass, Henry E.; Arnott, W. P.

1992-12-01

A three year study of thermoacoustic engines operating as prime movers and refrigerators was completed. The major thrust of this effort was the use and theoretical description of ceramic honeycomb structures as the active element in thermoacoustic engines. An air-filled demonstration prime mover was constructed and demonstrated at Acoustical Society of America and IEE meetings. A helium-filled test prime mover was designed and built an is being employed in studies of the threshold of oscillation as a function of temperature difference and pressure. In addition, acoustically based theories of the thermoacoustic engine have been developed and tested for a parallel plate stack at the Naval Postgraduate School and for a honeycomb stack at the University of Mississippi. Most of this work is described in detail in the attached publications. In this report we will give an overview of the research completed to date and its relationship to work performed at the Naval Postgraduate School and to future work at the University of Mississippi.

Information-theoretical analysis of private content identification

NARCIS (Netherlands)

Voloshynovskiy, S.; Koval, O.; Beekhof, F.; Farhadzadeh, F.; Holotyak, T.

2010-01-01

In recent years, content identification based on digital fingerprinting attracts a lot of attention in different emerging applications. At the same time, the theoretical analysis of digital fingerprinting systems for finite length case remains an open issue. Additionally, privacy leaks caused by

STUDY ON THE MARKETING STRATEGY OF HIGHER EDUCATION INSTITUTION (CASE COMPANY SAMK INTERNATIONAL BUSINESS)

OpenAIRE

Khanal, Ichha; khanal, Ichha

2017-01-01

The purpose of conducting this thesis was to study on the marketing strategy of an educational institution. The aim of this thesis was to study on current marketing strategy and suggest the case company with new and effective ideas for marketing. The theoretical part of this thesis hold three main elements with basic knowledge of marketing. Along with marketing mix, this thesis also covered segmentation as well as marketing strategy. For the time being, SWOT approach was utilized to...

Theoretical aspects of antimatter and gravity.

Science.gov (United States)

Blas, Diego

2018-03-28

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

The Theoretical Research Article as a Reflection of Disciplinary Practices: The Case of Pure Mathematics

Science.gov (United States)

Kuteeva, Maria; McGrath, Lisa

2015-01-01

Recent years have seen an interest in the generic structure of empirical research articles across a variety of disciplines. However, significantly less attention has been given to theoretical articles. This study aims to begin to address this imbalance by presenting the results of an investigation into the organizational and rhetorical structure…

Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

Science.gov (United States)

Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

2012-10-01

This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph2Tz) and some oligomeric derivatives. Ph2Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV-Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

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...

Joint Experimental and Theoretical Study on Vibrational Excitation Cross Sections for Electron Collisions with Diacetylene

Czech Academy of Sciences Publication Activity Database

Čurík, Roman; Paidarová, Ivana; Allan, M.; Čársky, Petr

2014-01-01

Roč. 118, č. 41 (2014), s. 9734-9744 ISSN 1089-5639 R&D Projects: GA ČR GAP208/11/0452; GA MŠk LD14088 Institutional support: RVO:61388955 Keywords : diacetylenes * electron collision * theoretical study Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.693, year: 2014

Case Study Research Methodology

Directory of Open Access Journals (Sweden)

Mark Widdowson

2011-01-01

Full Text Available Commenting on the lack of case studies published in modern psychotherapy publications, the author reviews the strengths of case study methodology and responds to common criticisms, before providing a summary of types of case studies including clinical, experimental and naturalistic. Suggestions are included for developing systematic case studies and brief descriptions are given of a range of research resources relating to outcome and process measures. Examples of a pragmatic case study design and a hermeneutic single-case efficacy design are given and the paper concludes with some ethical considerations and an exhortation to the TA community to engage more widely in case study research.

Learning "Rules" of Practice within the Context of the Practicum Triad: A Case Study of Learning to Teach

Science.gov (United States)

Chalies, Sebastien; Escalie, Guillaume; Stefano, Bertone; Clarke, Anthony

2012-01-01

This case study sought to determine the professional development circumstances in which a preservice teacher learned rules of practice (Wittgenstein, 1996) on practicum while interacting with a cooperating teacher and university supervisor. Borrowing from a theoretical conceptualization of teacher professional development based on the postulates…

Project management case studies

CERN Document Server

Kerzner, Harold R

2013-01-01

A new edition of the most popular book of project management case studies, expanded to include more than 100 cases plus a ""super case"" on the Iridium Project Case studies are an important part of project management education and training. This Fourth Edition of Harold Kerzner''s Project Management Case Studies features a number of new cases covering value measurement in project management. Also included is the well-received ""super case,"" which covers all aspects of project management and may be used as a capstone for a course. This new edition:Contains 100-plus case studies drawn from re

Theoretical Study of the Compound Parabolic Trough Solar Collector

OpenAIRE

Dr. Subhi S. Mahammed; Dr. Hameed J. Khalaf; Tadahmun A. Yassen

2012-01-01

Theoretical design of compound parabolic trough solar collector (CPC) without tracking is presented in this work. The thermal efficiency is obtained by using FORTRAN 90 program. The thermal efficiency is between (60-67)% at mass flow rate between (0.02-0.03) kg/s at concentration ratio of (3.8) without need to tracking system.The total and diffused radiation is calculated for Tikrit city by using theoretical equations. Good agreement between present work and the previous work.

Theoretical and experimental studies on transient forced convection heat transfer of helium gas

International Nuclear Information System (INIS)

Liu, Qiusheng; Fukuda, Katsuya; Shibahara, Makoto

2008-01-01

Forced convection transient heat transfer for helium gas at various periods of exponential increase of heat input to a horizontal cylinder and a plate (ribbon) one was experimentally and theoretically studied. In the experimental studies, the authors measured heat flux, surface temperature, and transient heat transfer coefficients for forced convection flow of helium gas over a horizontal cylinder and a plate (ribbon) one under wide experimental conditions. Empirical correlations for quasi-steady-state heat transfer and transient heat transfer were obtained based on the experimental data. In the theoretical study, transient heat transfer was numerically solved based on a turbulent flow model. The values of numerical solution for surface temperature and heat flux were compared and discussed with authors' experimental data. (author)

Strategy of Fast Fashion Retailers in the Czech Republic - A Case Study Analysis of Three Chosen Retailers

OpenAIRE

Kučmašová, Hana

2009-01-01

The aim of this master thesis is to define fast fashion and fast fashion retailing, and describe specifics of their business activities with deep focus on the Czech market. The theoretical part reviews literature dealing with international strategy and management and fashion and fast fashion retailing. The empirical part then focuses on real-life business cases. In order to illustrate the behaviour of fast fashion retailers on the Czech market, a case study method is employed. The attention i...

Medication competency of nurses according to theoretical and drug calculation online exams: A descriptive correlational study.

Science.gov (United States)

Sneck, Sami; Saarnio, Reetta; Isola, Arja; Boigu, Risto

2016-01-01

Medication administration is an important task of registered nurses. According to previous studies, nurses lack theoretical knowledge and drug calculation skills and knowledge-based mistakes do occur in clinical practice. Finnish health care organizations started to develop a systematic verification processes for medication competence at the end of the last decade. No studies have yet been made of nurses' theoretical knowledge and drug calculation skills according to these online exams. The aim of this study was to describe the medication competence of Finnish nurses according to theoretical and drug calculation exams. A descriptive correlation design was adopted. Participants and settings All nurses who participated in the online exam in three Finnish hospitals between 1.1.2009 and 31.05.2014 were selected to the study (n=2479). Quantitative methods like Pearson's chi-squared tests, analysis of variance (ANOVA) with post hoc Tukey tests and Pearson's correlation coefficient were used to test the existence of relationships between dependent and independent variables. The majority of nurses mastered the theoretical knowledge needed in medication administration, but 5% of the nurses struggled with passing the drug calculation exam. Theoretical knowledge and drug calculation skills were better in acute care units than in the other units and younger nurses achieved better results in both exams than their older colleagues. The differences found in this study were statistically significant, but not high. Nevertheless, even the tiniest deficiency in theoretical knowledge and drug calculation skills should be focused on. It is important to identify the nurses who struggle in the exams and to plan targeted educational interventions for supporting them. The next step is to study if verification of medication competence has an effect on patient safety. Copyright © 2015 Elsevier Ltd. All rights reserved.

Theoretical study of reaction dynamics in radiation chemistry

International Nuclear Information System (INIS)

Tachiya, Masanori

2008-01-01

The period from late 1950's to early 1970's was golden age of radiation chemistry. During this period the hydrated electron was discovered, various new phenomena were found in ionic processes in liquid hydrocarbons, and the trapped electron and electron tunneling were discovered in organic glasses. In those days radiation chemistry was a vast treasure-house of theoretical problems. We could find not only problems special to radiation chemistry but also many problems interesting as general physical chemistry. In this review I explain how some theoretical problems discovered in the field of radiation chemistry have evolved into those of general physical chemistry, with special emphasis on my own work. (author)

Holistic stakeholder-oriented and case study-based risk analysis

Science.gov (United States)

Heisterkamp, Tobias

2013-04-01

Case studies of storm events in the Berlin conurbation demonstrate the chance of a holistic approach and its potential data sources. Data sets of population, but also data provided by insurance and transport companies, and operating data provided by fire brigades, are used. Various indicators for risk analysis are constructed to identify hot spots. These hot spots can be shortcomings or critical aspects in structure, communication, the warning chain, or even in the structure of potentially affected stakeholders or in the civil protection system itself. Due to increasing complexity of interactions and interdependencies in or between societies and nature, it is important to choose a holistic approach. For risk analyses like the storms in Berlin, it captures many important factors with their effects. For risk analyses, it is important to take potential users into concern: The analysis gets important due to its use later on. In addition to a theoretical background, a focus on the application should be set from the beginning on. To get usable results, it is helpful to complement the theoretical meta-level by a stakeholder-oriented level. An iterative investigation and combination of different layers for the risk analysis explores important influencing factors and allows a tailoring of results to different stakeholder groups. Layers are indicators, gained from data sets like losses from insurance data. Tailoring is important, because of different requirements e.g. by technical or medical assistance. Stakeholders' feedback in the iterative investigation also shows structural limitations for later applications, like special laws the fire brigades have to deal with. Additionally, using actors' perspectives offers the chance to convince practitioners of taking part in the analysis. Their participation is an essential component in applied science. They are important data suppliers, whose goodwill is needed to ensure good results. Based on their experience, they can also help

Theoretical studies of fusion physics. Volume I. Summary. Final report

International Nuclear Information System (INIS)

1983-01-01

Theoretical studies were performed on each of the following topics: (1) absorption of waves near the cyclotron frequency by relativistic electrons in EBT, (2) power balance in a stable, adiabatic hot electron annulus, (3) whistler instability in a relativistic electron annulus, (4) adiabatic limits on electron temperature in the EBT annulus, and (5) summary of a model of the EBT ring heating/loss process

Theoretical Tools for Relativistic Gravimetry, Gradiometry and Chronometric Geodesy and Application to a Parameterized Post-Newtonian Metric

Directory of Open Access Journals (Sweden)

Pacôme Delva

2017-03-01

Full Text Available An extensive review of past work on relativistic gravimetry, gradiometry and chronometric geodesy is given. Then, general theoretical tools are presented and applied for the case of a stationary parameterized post-Newtonian metric. The special case of a stationary clock on the surface of the Earth is studied.

THEORETICAL ANALYSIS STUDY OF FORMATION OF FUTURE LEGAL LAWYERS

Directory of Open Access Journals (Sweden)

Eugene Stepanovich Shevlakov

2015-09-01

Full Text Available The article deals with topical issues of formation of legal consciousness of future lawyers in high school. Obtained kinds of legal consciousness of future lawyers, determined its structure. Dedicated components of justice are mutually reinforcing, and provide an opportunity for further development of the personality of the future specialist, their personal growth.The purpose: to carry out theoretical analysis of the problem of formation of legal consciousness of future lawyers.The novelty is based. On the analysis of theoretical appro-aches of pedagogy, psychology, law, the notion of «lawfulness of the future of the law student», which is regarded as a form of social consciousness, which is a set of legal views and feelings, expressing the attitude to the law and legal phenomena that have regulatory in character and which includes know-ledge of legal phenomena and their evaluation from the point of view of fairness and justice, formed in the process of studying in the University.Results: this article analyzes different approaches to understanding the content and essence of the concept of legal consciousness of the legal profession. Define the types and structure of legal consciousness of future lawyers.

EEC-sponsored theoretical studies of gas cloud explosion pressure loadings

International Nuclear Information System (INIS)

Briscoe, F.; Curtress, N.; Farmer, C.L.; Fogg, G.J.; Vaughan, G.J.

1979-01-01

Estimates of the pressure loadings produced by unconfined gas cloud explosions on the surface of structures are required to assist the design of strong secondary containments in countries where the protection of nuclear installations against these events is considered to be necessary. At the present time, one difficulty in the specification of occurate pressure loadings arises from our lack of knowledge concerning the interaction between the incident pressure waves produced by unconfined gas cloud explosions and large structures. Preliminary theoretical studies include (i) general theoretical considerations, especially with regard to scaling (ii) investigations of the deflagration wave interaction with a wall based on an analytic solution for situations with planar symmetry and the application of an SRD gas cloud explosion code (GASEX 1) for situations with planar and spherical symmetry, and (iii) investigations of the interaction between shock waves and structures for situations with two-dimensional symmetry based on the application of another SRD gas cloud explosion code (GASEX 2)

Non-commutative cryptography and complexity of group-theoretic problems

CERN Document Server

Myasnikov, Alexei; Ushakov, Alexander

2011-01-01

This book is about relations between three different areas of mathematics and theoretical computer science: combinatorial group theory, cryptography, and complexity theory. It explores how non-commutative (infinite) groups, which are typically studied in combinatorial group theory, can be used in public-key cryptography. It also shows that there is remarkable feedback from cryptography to combinatorial group theory because some of the problems motivated by cryptography appear to be new to group theory, and they open many interesting research avenues within group theory. In particular, a lot of emphasis in the book is put on studying search problems, as compared to decision problems traditionally studied in combinatorial group theory. Then, complexity theory, notably generic-case complexity of algorithms, is employed for cryptanalysis of various cryptographic protocols based on infinite groups, and the ideas and machinery from the theory of generic-case complexity are used to study asymptotically dominant prop...

Theoretical Models, Assessment Frameworks and Test Construction.

Science.gov (United States)

Chalhoub-Deville, Micheline

1997-01-01

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

Theoretical Study of the Compound Parabolic Trough Solar Collector

Directory of Open Access Journals (Sweden)

Dr. Subhi S. Mahammed

2012-06-01

Full Text Available Theoretical design of compound parabolic trough solar collector (CPC without tracking is presented in this work. The thermal efficiency is obtained by using FORTRAN 90 program. The thermal efficiency is between (60-67% at mass flow rate between (0.02-0.03 kg/s at concentration ratio of (3.8 without need to tracking system.The total and diffused radiation is calculated for Tikrit city by using theoretical equations. Good agreement between present work and the previous work.

Factors Affecting Women Enrolment In Technical Institutions In Tanzania A Case Study Of Arusha Technical College

OpenAIRE

Glory B. Kaaya; Dr. Esther Waiganjo

2015-01-01

Abstract The purpose of this study was to investigate the factors affecting women enrolment in Technical Institutions in Tanzania by focusing on the women. The study examined in detail the factors affecting women enrolment in Technical institutions and Arusha Technical College in particular as well as exploring sexual dynamics within Technical Institutions. Moreover a number of theoretical frameworks were concerned basing on the objectives a case study design was employed involving both qua...

Explaining the Evolution of Performance Measures - A Dual Case-Study Approach

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Mohammed Salloum

2013-07-01

Full Text Available Few empirical studies have examined how performance measures change in practice and the driving forces behind this change. The existing body of literature has taken a prescriptive approach to how managers and organisations ought to manage change in performance measures without any concern for studying the phenomenon itself and thus a theoretical gap exists. With this gap in mind, the purpose of this paper is to outline how and why the performance measures have changed at two case companies over the time period 2008-2011. In order to fulfil the purpose of this paper two case studies at two different case companies have been conducted. The choice of data collection method is justified by the ambition to attain an in-depth and holistic understanding of the phenomenon. For each case, the data collection was based on four components: an interview study, analysis of archived data, documentation and direct observations. In total, 28 interviews were conducted, 14 at each case company. The empirical findings exhibit that the performance measures are exposed to continuous and considerable change from several perspectives. The measurement scopes at both case companies are steadily expanding, the individual performance measures are constantly replaced and their characteristics are continuously altered. An array of change triggers has been identified in the empirical findings. In contrast to what is advocated in literature, the findings illustrate that the most frequent reason for change is the will to improve the performance measures, the measurement process and the overall performance rather than changing internal and external environments. There are several challenges that need to be addressed in the future research agenda.

Theoretical and experimental studies on critical heat flux in subcooled boiling and vertical flow geometry

International Nuclear Information System (INIS)

Staron, E.

1996-01-01

Critical Heat Flux is a very important subject of interest due to design, operation and safety analysis of nuclear power plants. Every new design of the core must be thoroughly checked. Experimental studies have been performed using freon as a working fluid. The possibility of transferring of results into water equivalents has been proved. The experimental study covers vertical flow, annular geometry over a wide range of pressure, mass flow and temperature at inlet of test section. Theoretical models of Critical Heat Flux have been presented but only those which cover DNB. Computer programs allowing for numerical calculations using theoretical models have been developed. A validation of the theoretical models has been performed in accordance with experimental results. (author). 83 refs, 32 figs, 4 tabs

Marketing Plan for a New Product : A Study for a Case Company

OpenAIRE

Saari, Tomi

2015-01-01

This Bachelor’s thesis was conducted as a commission for a case company operating in the electrotechnical manufacturing and wholesale industry. The purpose of this thesis is to provide the case company some new marketing insights in order to penetrate a market with a new product faster. The theoretical framework aims at analyzing the case company’s macro environment through a PESTEL analysis, as well as the internal and external factors for success with the company SWOT analysis. The prod...

The classification problem in machine learning: an overview with study cases in emotion recognition and music-speech differentiation

OpenAIRE

Rodríguez Cadavid, Santiago

2015-01-01

This work addresses the well-known classification problem in machine learning -- The goal of this study is to approach the reader to the methodological aspects of the feature extraction, feature selection and classifier performance through simple and understandable theoretical aspects and two study cases -- Finally, a very good classification performance was obtained for the emotion recognition from speech

The logic of counterfactual analysis in case-study explanation.

Science.gov (United States)

Mahoney, James; Barrenechea, Rodrigo

2017-12-19

In this paper, we develop a set-theoretic and possible worlds approach to counterfactual analysis in case-study explanation. Using this approach, we first consider four kinds of counterfactuals: necessary condition counterfactuals, SUIN condition counterfactuals, sufficient condition counterfactuals, and INUS condition counterfactuals. We explore the distinctive causal claims entailed in each, and conclude that necessary condition and SUIN condition counterfactuals are the most useful types for hypothesis assessment in case-study research. We then turn attention to the development of a rigorous understanding of the 'minimal-rewrite' rule, linking this rule to insights from set theory about the relative importance of necessary conditions. We show why, logically speaking, a comparative analysis of two necessary condition counterfactuals will tend to favour small events and contingent happenings. A third section then presents new tools for specifying the level of generality of the events in a counterfactual. We show why and how the goals of formulating empirically important versus empirically plausible counterfactuals stand in tension with one another. Finally, we use our framework to link counterfactual analysis to causal sequences, which in turn provides advantages for conducting counterfactual projections. © London School of Economics and Political Science 2017.

Theoretical and experimental study of an energy-reinforced braking radiation photon beam

International Nuclear Information System (INIS)

Bertin, Pierre-Yves

1966-01-01

This research thesis reports the theoretical study of a photon beam raised towards high energies, its experimental implementation, the definition of a gamma spectrometry method which aimed at checking various hypotheses used in the beam theoretical study. After a presentation of the theory of phenomena of electron braking radiation, of materialisation of photons into positon-negaton pair, and of issues related to multiple Coulomb diffusion, the author reports the study of the different solutions which allow a photon beam to be obtained. A braking radiation of mono-kinetic electron has been used. This braking radiation is reinforced by absorption of low energy protons in a column of lithium hydride. The author describes how the beam is built up, and the experimental approach. He describes how raw data are processed to get rid of the influence of the multiple Coulomb diffusion and of the braking radiation. Experimental results are compared with those obtained by convolution of photon spectra and differential cross section

[Case and studies].

Science.gov (United States)

Schubert, András

2015-11-15

Case studies and case reports form an important and ever growing part of scientific and scholarly literature. The paper deals with the share and citation rate of these publication types on different fields of research. In general, evidence seems to support the opinion that an excessive number of such publications may negatively influence the impact factor of the journal. In the literature of scientometrics, case studies (at least the presence of the term "case study" in the titles of the papers) have a moderate share, but their citation rate is practically equal to that of other publication types.

A review of theoretical and experimental studies underlying the thermal-hydraulic design of fast reactor fuel elements

International Nuclear Information System (INIS)

McAreavey, C.G.; Betts, C.

1979-01-01

The economic performance of fast reactors is closely linked to the achievable burn-up of heavy atoms, that is to the endurance life of the fuel pins. The safety case must also be concerned with the integrity of the cladding, since this is the primary containment envelope for fission products. It is thus important to ensure that cladding temperatures during reactor operation are limited to levels which incur no serious impairment of mechanical properties. The function of thermal-hydraulic analysis is to provide fuel element designers with the means of achieving this objective. This paper reviews the theoretical approaches which have been developed and applied in the UK in the design of LMFBR fuel and breeder sub-assemblies, control rods and experimental clusters. It also presents results of experimental studies undertaken to develop a better understanding of coolant flow distribution and mixing problems in these components, and to provide essential data for computer codes. Problem areas in this field are highlighted, particularly the difficulties arising due to irradiation induced distortions. Reference is made to the experimental and theoretical developments which are in progress, or may be required, to provide adequate predictions of fuel pin temperatures at high burn-up. (author)

The theoretical shear strength of fcc crystals under superimposed triaxial stress

Energy Technology Data Exchange (ETDEWEB)

Cerny, M., E-mail: cerny.m@fme.vutbr.cz [Institute of Engineering Physics, Faculty of Mechanical Engineering, Brno University of Technology, Technicka 2, CZ-616 69 Brno (Czech Republic); Pokluda, J. [Institute of Engineering Physics, Faculty of Mechanical Engineering, Brno University of Technology, Technicka 2, CZ-616 69 Brno (Czech Republic)

2010-05-15

The influence of a triaxial stress applied normally to shear planes and shear direction during affine shear deformation of face-centered cubic crystals on the theoretical shear strength is studied for the <112-bar >{l_brace}111{r_brace} shear system using first-principles methods. The applied relaxation procedure guarantees that the modeled system is subjected to a superposition of shear, normal and in-plane stresses with individually adjustable in-plane and normal stress values. The theoretical shear strengths of individual elements prove to be qualitatively different functions of the superimposed stresses. In the special case of hydrostatic loading, however, these functions are qualitatively uniform. This behavior is discussed in terms of the electronic structure.

Training Post-9/11 Police Officers with a Counter-Terrorism Reality-Based Training Model: A Case Study

Science.gov (United States)

Biddle, Christopher J.

2013-01-01

The purpose of this qualitative holistic multiple-case study was to identify the optimal theoretical approach for a Counter-Terrorism Reality-Based Training (CTRBT) model to train post-9/11 police officers to perform effectively in their counter-terrorism assignments. Post-9/11 police officers assigned to counter-terrorism duties are not trained…

Theoretical study on the first kind of density wave instabilities

Energy Technology Data Exchange (ETDEWEB)

Zuying, Gao; Jincai, Li; Baocheng, Xu; Zuoyi, Zhang; Cheng, Gao [Institute of Nuclear Energy and Technology, Tsingua Univ., Beijing (China)

1997-09-01

The present paper summarizes the theoretical studies carried out by INET (Institute of Nuclear Energy Technology) of Tsinghua University on the first kind of density wave instabilities (DWIs) of natural circulation systems. The analysis methods of DWI and mathematical models of drift flux are presented. Based on the general excess entropy production criterion of non-equilibrium thermodynamics, an energy principle of DWI is established. (author). 10 refs, 16 figs.

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.

Building theories from case study research: the progressive case study

NARCIS (Netherlands)

Steenhuis, H.J.; de Bruijn, E.J.

2006-01-01

Meredith (1998) argues for more case and field research studies in the field of operations management. Based on a literature review, we discuss several existing approaches to case studies and their characteristics. These approaches include; the Grounded Theory approach which proposes no prior

Theoretical study of excitonic complexes in semiconductors quantum wells

International Nuclear Information System (INIS)

Dacal, Luis Carlos Ogando

2001-08-01

A physical system where indistinguishable particles interact with each other creates the possibility of studying correlation and exchange effect. The simplest system is that one with only two indistinguishable particles. In condensed matter physics, these complexes are represented by charged excitons, donors and acceptors. In quantum wells, the valence band is not parabolic, therefore, the negatively charged excitons and donors are theoretically described in a simpler way. Despite the fact that the stability of charged excitons (trions) is known since the late 50s, the first experimental observation occurred only at the early 90s in quantum well samples, where their binding energies are one order of magnitude larger due to the one dimensional carriers confinement. After this, these complexes became the subject of an intense research because the intrinsic screening of electrical interactions in semiconductor materials allows that magnetic fields that are usual in laboratories have strong effects on the trion binding energy. Another rich possibility is the study of trions as an intermediate state between the neutral exciton and the Fermi edge singularity when the excess of doping carriers is increased. In this thesis, we present a theoretical study of charged excitons and negatively charged donors in GaAs/Al 0.3 Ga 0.7 As quantum wells considering the effects of external electric and magnetic fields. We use a simple, accurate and physically clear method to describe these systems in contrast with the few and complex treatments s available in the literature. Our results show that the QW interface defects have an important role in the trion dynamics. This is in agreement with some experimental works, but it disagrees with other ones. (author)

Learning from New York City : a case study of public health policy practice in the Bloomberg administration.

Science.gov (United States)

Isett, Kimberley Roussin; Laugesen, Miriam J; Cloud, David H

2015-01-01

To ascertain any lessons learned about how public health reforms undertaken in New York City during the Bloomberg Administration were shepherded through the public policy and administration gauntlet. The question is, how feasible is this approach and would it work outside of New York City? Using a theoretically grounded case study approach, 3 initiatives were examined that were proposed and/or implemented during a 10-year period of the Mayoralty of Michael Bloomberg (2002-2011): transfats restrictions, clean bus transportation policies, and a sugar-sweetened beverages tax (as a counterfactual). The investigation began by performing a comprehensive public documents search and was followed with interviews of 27 individuals involved in the selected policy initiatives. Interviews were coded in Nvivo using an iterative, grounded methodology. Using a theoretical lens, the case study illustrates that the multifaceted role of leadership was not confined to the executives in the City or the Agency. Instead, leadership extended to other administrative officials within the agency and the Board of Health. Second, New York City used reorganization and coordinative mechanisms strategically to ensure achievement of their goals. This included creation of new departments/bureaus and coordinating structures across the City. Evidence of the explicit use of incentives, as initially anticipated from the theoretical framework, was not found. While some aspects of this case study are unique to the context of New York City, 2 approaches used in New York City are feasible for other jurisdictions: harnessing the full scope and breadth of authority of the agency and its associated boards and commissions, and remobilizing existing workforce to explicitly focus on and coordinate targeted policies for issues of concern. Questions for further consideration are posed at the conclusion of the article.

Theoretical and experimental study of collectrons for epithermal neutron flux in reactors

International Nuclear Information System (INIS)

Agu, M.N.

1986-01-01

A theoretical study of nuclear reactions and electric charge displacements arising in sensitivity to thermal and epithermal neutrons in collectrons allowed a computer code conception. Collectrons in Rhodium, Silver, Cobalt, Hafnium, Erbium, Gadolinium and Holmium have been tested in different radiation fields given by neutron or gamma filters irradiated in different places of Melusine and Siloe reactors. Some emitters were covered with different steel, nickel or zircaloy thicknesses. Theoretical and experimental results are consistent; that validate the computer code and show possibilities and necessity of covering collectron emitters to reduce or cancel the gamma sensitivity and to improve response instantaneity. A selective measurement of epithermal neutron flux can by this way, made by associating two types of collectrons [fr

Beyond the Four Ps: A Theoretical Explication and Research Agenda for Social Marketing.

Science.gov (United States)

Sego, Trina

Advocates of social marketing in the 1970s rarely went beyond discussion of the marketing 4Ps (product, place, promotion, and price) and their application to case studies. After two decades of research on social marketing, some misunderstanding of the approach persists, and a substantial theoretical base for social marketing has not been…

A theoretical-experimental study of backup bearings

DEFF Research Database (Denmark)

Lampe Linhares da Fonseca, Cesar Augusto

of two types of backup bearings, which are investigated experimentally and theoretically. The first type is a conventional ball bearing commonly used in industrial applications. The second is an unconventional bearing that, which contains pins inside the clearance for the rotor to impact on. The main...... both types of bearings for further investigation. Also, a full failure of the control and a rotor drop on the ball bearing as backup bearing is investigated by removing the magnetic forces. The nonlinear features of the dynamics of the rotor are assessed for different levels of unbalance. It has been...... radial forces. Remaining in this condition, it may lead to permanent damage or total failure of the machine. This is why the backup bearing design has to be carefully planned and investigated as to whether it helps to protect the integrity of the machine. This PhD thesis provides a comprehensive study...

Five Principles for MOOC Design: With a Case Study

Directory of Open Access Journals (Sweden)

John R. Drake

2015-05-01

Full Text Available New web technologies have enabled online education to take on a massive scale, prompting many universities to create massively open online courses (MOOCs that take advantage of these technologies in a seemingly effortless manner. Designing a MOOC, however, is anything but trivial. It involves developing content, learning activities, and assessments to accommodate both the massiveness and openness of the course. To design an effective MOOC, instructors need to integrate both pedagogical and information systems theory. In this paper, we present a case study of a MOOC grant and a series of decisions made in its development. These decisions, when paired with the theoretical framework, suggest five principles – meaningful, engaging, measurable, accessible, and scalable – may be applicable to future MOOC development projects.

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...

A Case Study of Prior Knowledge, Learning Approach and Conceptual Change in an Introductory College Chemistry Tutorial Program.

Science.gov (United States)

Braathen, Per Christian; Hewson, Peter W.

This paper presents a case study involving a small group of students enrolled in a tutorial program learning introductory college chemistry. The underlying theoretical framework of this investigation was a constructivist view of learning, but more specifically it was based on Ausubel's theory of meaningful learning. The findings of this…

A Case Study to Evaluate Balance Training with Movement Test Items and through Teaching Observation: Beyond Specificity and Transfer of Learning

Science.gov (United States)

Kluwe, Margret; Miyahara, Motohide; Heveldt, Kate

2012-01-01

Background: Specificity and transfer of learning have been examined in experimental studies. However, their findings may not be relevant to practitioners because of the difference between the experiment conditions and teaching situations. This case study investigates the theoretical issue of specificity vs. transfer of learning by conducting…

Theoretical studies in elementary particle physics

International Nuclear Information System (INIS)

Collins, J.

1994-01-01

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

Use value innovation to create competitive advantages in Blue Ocean : A case study of IKEA in Nanjing

OpenAIRE

Lu, Chaoren; Thawatthatree, Apinya

2011-01-01

This present thesis aims to contribute to a better understand about how to use value innovation to get competitive advantages and get leading position in the market.   This theoretical approach is supported by an empirical case study about IKEA in Nanjing, China. This case is based on a qualitative research method of in-depth interviews with the local customers, co-workers and managers. The outcome is IKEA uses a unique strategy execution in Nanjing, and it fits Nanjing’s market very well.   ...

Experimental and theoretical studies of the energy level structure of multiply charged many-electron ions

International Nuclear Information System (INIS)

Redfors, A.

1991-01-01

Magnesiumlike and aluminumlike spectra of the elements calcium - germanium have been obtained through the use of laser-produced plasmas (LPP) and a 3 m normal incidence vacuum spectrograph. The spectral analyses were mainly based on isoelectronic regularities. Intermediate ionization stages of cerium (Ce V) and silicon (SI VI) have also been studied. The light sources in these cases were a sliding spark and a modified version of the LPP. The Eagle spectrograph at the National Institute of Standards and Technology, Gaitherburg, Maryland was used to record the cerium spectrum. Ab initio calculations and least-squares fits of the Slater energy parameters to the experimental energy levels are reported for all investigated spectra. Theoretical predictions of oscillator strengths for Y III and Zr III in the region 1150-3200 AA are presented. The oscillator strengths are needed for abundance determinations of Y 2+ and Zr 2+ in chemically peculiar stars, Cp stars. (65 refs.)

Theoretical study of incoherent φ photoproduction on a deuteron target

International Nuclear Information System (INIS)

Sekihara, T.; Martinez Torres, A.; Jido, D.; Oset, E.

2012-01-01

We study the photoproduction of φ mesons in deuteron, paying attention to the modification of the cross-section from bound protons to the free ones. For this purpose we take into account Fermi motion in single scattering and rescattering of φ to account for φ absorption on a second nucleon as well as the rescattering of the proton on the neutron. We find that the contribution of the double scattering for φ is much smaller than the typical cross-section of γp→φp in free space, which implies a very small screening of the φ production in deuteron. The contribution from the proton rescattering, on the other hand, is found to be not negligible compared to the cross-section of γp→φp in free space, and leads to a moderate reduction of the φ photoproduction cross-section on a deuteron at forward angles if the LEPS set-up is taken into account. The Fermi motion allows contribution of the single scattering in regions forbidden by phase-space in the free case. In particular, we find that for momentum transfer squared close to the maximum value, the Fermi motion changes drastically the shape of dσ/dt, to the point that the ratio of this cross-section to the free one becomes very sensitive to the precise value of t chosen, or the size of the bin used in an experimental analysis. Hence, this particular region of t does not seem to be the most indicated to find effects of a possible φ absorption in the deuteron. This reaction is studied theoretically as a function of t and the results are contrasted with recent experiments at LEPS and Jefferson Lab. The effect of the experimental angular cuts at LEPS is also discussed, providing guidelines for future experimental analyses of the reaction. (orig.)

TMX tandem-mirror experiments and thermal-barrier theoretical studies

International Nuclear Information System (INIS)

Simonen, T.C.; Baldwin, D.E.; Allen, S.L.

1982-01-01

This paper describes recent analysis of energy confinement in the Tandem Mirror Experiment (TMX). TMX data also indicates that warm plasma limits the amplitude of the anisotropy driven Alfven ion cyclotron (AIC) mode. Theoretical calculations show strong AIC stabilization with off-normal beam injection as planned in TMX-U and MFTF-B. This paper reports results of theoretical analysis of hot electrons in thermal barriers including electron heating calculations by Monte Carlo and Fokker-Planck codes and analysis of hot electron MHD and microinstability. Initial results from the TMX-U experiment are presented which show the presence of sloshing ions

An experimental and theoretical vibrational study of interaction of adenine and thymine with artificial seawaters: A prebiotic chemistry experiment.

Science.gov (United States)

Anizelli, Pedro R; Baú, João P T; Nabeshima, Henrique S; da Costa, Marcello F; de Santana, Henrique; Zaia, Dimas A M

2014-05-21

Nucleic acid bases play important roles in living beings. Thus, their interaction with salts the prebiotic Earth could be an important issue for the understanding of origin of life. In this study, the effect of pH and artificial seawaters on the structure of adenine and thymine was studied via parallel determinations using FT-IR, Raman spectroscopy and theoretical calculations. Thymine and adenine lyophilized in solutions at basic and acidic conditions showed characteristic bands of the enol-imino tautomer due to the deprotonation and the hydrochloride form due to protonation, respectively. The interaction of thymine and adenine with different seawaters representative of different geological periods on Earth was also studied. In the case of thymine a strong interaction with Sr(2+) promoted changes in the Raman and infrared spectra. For adenine changes in infrared and Raman spectra were observed in the presence of salts from all seawaters tested. The experimental results were compared to theoretical calculations, which showed structural changes due to the presence of ions Na(+), Mg(2+), Ca(2+) and Sr(2+) of artificial seawaters. For thymine the bands arising from C4=C5 and C6=O stretching were shifted to lower values, and for adenine, a new band at 1310cm(-1) was observed. The reactivity of adenine and thymine was studied by comparing changes in nucleophilicity and energy of the HOMO orbital. Copyright © 2014 Elsevier B.V. All rights reserved.

The social processes of production and validation of knowledge in particle physics: Preliminary theoretical and methodological observations

OpenAIRE

Bellotti, Elisa

2011-01-01

This paper explores the complementarities and differences between Bourdieu's Field Theory and Social Network Analysis from both a theoretical and methodological perspective. The argument is applied to a case study about the social production and validation of knowledge in particle physics in Italy. The methodological choices that have lead the research project are presented and justified, and provide a good example about the strengths and the weaknesses of the two theoretical perspectives com...

Transport at basin scales: 1. Theoretical framework

Directory of Open Access Journals (Sweden)

A. Rinaldo

2006-01-01

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

A case study of strategic planning IFB

Directory of Open Access Journals (Sweden)

Pedro Henrique Rodrigues de Camargo Dias

2018-03-01

Full Text Available The purpose of this article is to identify and characterize the initial stage of the IFB strategic planning, based on the perception of top management and planning team. The case study adopts a qualitative approach supported by bibliographic research techniques, to build a theoretical foundation, allied to the semistructure interview for later, application of the content analysis. As a result, we can identify that the institution opted to first define the strategic references, based on the construction of the mission, vision and values, and later, analysis of the organizational diagnosis, based on the Balanced Scorecard methodology. It was verified that the tool of strategic planning and its use are points that need to be better understood by the managers and technical planning team. The predominant characteristics of strategic planning are composed of a programmatic tool for projecting medium and long term goals and actions, of legal compliance, as it integrates and operationalizes the Institutional Development Plan (PDI.

Theoretical and Experimental Investigation of the Nonlinear Behavior of an Electrostatically Actuated In-Plane MEMS Arch

KAUST Repository

Ramini, Abdallah; Al Hennawi, Qais M.; Younis, Mohammad I.

2016-01-01

We present theoretical and experimental investigation of the nonlinear behavior of a clamped-clamped in-plane MEMS arch when excited by a DC electrostatic load superimposed to an AC harmonic load. Experimentally, a case study of in-plane silicon

Theoretical and experimental study of carburisation and decarburisation of a meta-stable austenitic steel

Directory of Open Access Journals (Sweden)

Charles West

2005-12-01

Full Text Available Metastable austenitic stainless steels are known to undergo a partial transformation of austenite to martensite as a consequence of plastic deformation. In the case of cyclic loading, a certain level of plastic strain must be exceeded, and phase formation takes place after an incubation period, during which the necessary amount of plastic deformation is accumulated. The susceptibility of the austenitic phase to deformation-induced martensite formation is strongly affected by the temperature of loading and the stability of austenite, which itself depends on the chemical composition. A key element in this regard is carbon which stabilizes the austenitic phase. It is shown in this study that the carbon concentration can be analysed systematically and reproducible by means of annealing treatments, if the parameters of these treatments are carefully defined on the basis of advanced theoretical thermodynamic and kinetic considerations. First results on the effect of carbon concentration and temperature of fatigue testing on the austenite/martensite transformation are presented, in order to illustrate the significance of these parameters on the martensite formation rate.

The Influence of the Pedagogical Content Knowledge Theoretical Framework on Research on Preservice Teacher Education

Science.gov (United States)

Mecoli, Storey

2013-01-01

Pedagogical Content Knowledge, Lee S. Shulman's theoretical framework, has had a substantial influence on research in preservice teacher education, and consequently, schools of education. This review builds from Grossman's case studies that concluded that beginning teachers provided with excellent teacher education developed more substantial PCK…

Mapping For Literature Conceptual And Theoretical Framework And Methodology Case Of Hot Deep Mining Ventilation Engineering Evaluation And Design

Directory of Open Access Journals (Sweden)

Peter M. Lukonde

2017-09-01

Full Text Available The paper reports the layout of a mapping process for literature theoretical and conceptual framework and methodology for mining ventilation engineering evaluation design and methodology for a hot deep mine. The purpose of mine ventilation is to provide suitable environmental conditions in working places that promote comfort and efficiency as well as the safety and health of underground personnel. The objectives addressed in this paper include a evaluation of a current mine ventilation system for a hot deep-level mine taking into account the existing ventilation system infrastructure for building of a mine ventilation baseline parametric database for subsequent end of life mine ventilation design and b design of the extension end of mine life ventilation system taking into account increased production high geothermic gradient and subsequent increase in depth of mining. The methodology used in evaluating an existing underground mine ventilation system and designing the extension end of mine life ventilation system employed three stages i Literature mapping to identify authors titles and technical papers at global regional and nationaldistrict scales relevant to the research ii Conceptual and theoretical framework mapping to extract a kernel or core of concepts hypotheses and theories from the literature map to drive the formation of methods of implementation and iii Methodology and implementation mapping to direct and control the processes of data collection analysis and interpretation. A sample case study of a deep-level underground mine has been used in this paper to provide examples of data collection data analysis and interpretation key findings and results discussion and what is new conclusions and recommendations when the proposed mapping process is employed.

Expert knowledge maps for knowledge management: a case study in Traditional Chinese Medicine research.

Science.gov (United States)

Cui, Meng; Yang, Shuo; Yu, Tong; Yang, Ce; Gao, Yonghong; Zhu, Haiyan

2013-10-01

To design a model to capture information on the state and trends of knowledge creation, at both an individual and an organizational level, in order to enhance knowledge management. We designed a graph-theoretic knowledge model, the expert knowledge map (EKM), based on literature-based annotation. A case study in the domain of Traditional Chinese Medicine research was used to illustrate the usefulness of the model. The EKM successfully captured various aspects of knowledge and enhanced knowledge management within the case-study organization through the provision of knowledge graphs, expert graphs, and expert-knowledge biography. Our model could help to reveal the hot topics, trends, and products of the research done by an organization. It can potentially be used to facilitate knowledge learning, sharing and decision-making among researchers, academicians, students, and administrators of organizations.

Mechanical Behaviour of 3D Multi-layer Braided Composites: Experimental, Numerical and Theoretical Study

Science.gov (United States)

Deng, Jian; Zhou, Guangming; Ji, Le; Wang, Xiaopei

2017-12-01

Mechanical properties and failure mechanisms of a newly designed 3D multi-layer braided composites are evaluated by experimental, numerical and theoretical studies. The microstructure of the composites is introduced. The unit cell technique is employed to address the periodic arrangement of the structure. The volume averaging method is used in theoretical solutions while FEM with reasonable periodic boundary conditions and meshing technique in numerical simulations. Experimental studies are also conducted to verify the feasibility of the proposed models. Predicted elastic properties agree well with the experimental data, indicating the feasibility of the proposed models. Numerical evaluation is more accurate than theoretical assessment. Deformations and stress distributions of the unit cell under tension shows displacement and traction continuity, guaranteeing the rationality of the applied periodic boundary conditions. Although compression and tension modulus are close, the compressive strength only reaches 70% of the tension strength. This indicates that the composites can be weakened in compressive loading. Additionally, by analysing the micrograph of fracture faces and strain-stress curves, a brittle failure mechanism is observed both in composites under tension and compression.

Theoretical and experimental NMR studies on muscimol from fly agaric mushroom (Amanita muscaria)

Science.gov (United States)

Kupka, Teobald; Wieczorek, Piotr P.

2016-01-01

In this article we report results of combined theoretical and experimental NMR studies on muscimol, the bioactive alkaloid from fly agaric mushroom (Amanita muscaria). The assignment of 1H and 13C NMR spectra of muscimol in DMSO-d6 was supported by additional two-dimensional heteronuclear correlated spectra (2D NMR) and gauge independent atomic orbital (GIAO) NMR calculations using density functional theory (DFT). The effect of solvent in theoretical calculations was included via polarized continuum model (PCM) and the hybrid three-parameter B3LYP density functional in combination with 6-311++G(3df,2pd) basis set enabled calculation of reliable structures of non-ionized (neutral) molecule and its NH and zwitterionic forms in the gas phase, chloroform, DMSO and water. GIAO NMR calculations, using equilibrium and rovibrationally averaged geometry, at B3LYP/6-31G* and B3LYP/aug-cc-pVTZ-J levels of theory provided muscimol nuclear magnetic shieldings. The theoretical proton and carbon chemical shifts were critically compared with experimental NMR spectra measured in DMSO. Our results provide useful information on its structure in solution. We believe that such data could improve the understanding of basic features of muscimol at atomistic level and provide another tool in studies related to GABA analogs.

A Theoretical Framework for Studying Adolescent Contraceptive Use.

Science.gov (United States)

Urberg, Kathryn A.

1982-01-01

Presents a theoretical framework for viewing adolescent contraceptive usage. The problem-solving process is used for developmentally examining the competencies that must be present for effective contraceptive use, including: problem recognition, motivation, generation of alternatives, decision making and implementation. Each aspect is discussed…

Theoretical analysis of Sloshing effect on Pitch Angel to optimize quick dive on litoral submarine 22 M

Science.gov (United States)

Sinaga, L. T. P.

2016-11-01

This study considers the analytic theoretical model. The Submarine was considered to be rigid body are free sailing model with various angle of attack to be quick dive as pitching motion. By using Floating Body Mechanism supported by analytic model to describe the theoretical model analisys test. For the case of fluid level on 30% of the front balast tank and various angle of pitch. The paper describes a study on Analytic theoretical and modeling in CFD (Computational Fluid Dynamics). For Analyzing at special care of sloshing on free surce ballast tank after peak and fore peak were taken into consideration. In general, both methods (analytic model and CFD model) demonstrated such a good agreement, particularly in the consistent trend of RAO.

A Case Study Examining the Influence of Dual Enrollment and High School Advising on Student Persistence in College

Science.gov (United States)

Raia-Taylor, Maureen

2012-01-01

This qualitative,descriptive single case study describes the problem of student persistence in college through the theoretical lens of Alexander Astin's Theory of Student Involvement, and Vincent Tinto's Theory of Student Departure. The decline in the college retention rate in the United States over the last twenty years and the high…

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.

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

Vertical Relationships on the Workplace and their Influence on Employee's Work Motivation: Sociology Case Study

OpenAIRE

Krösslová, Gabriela

2014-01-01

Subject of this bachelor's thesis is "Vertical relationships at the workplace and theirs influence on employee's work motivation". In the theoretical part, I defined key words, such as: Motivation, vertical and horizontal relationships, work sociology etc. I also stated concepts, related to work sociology and motivation. Practical part deals with the qualitative research (case study), which relates to vertical relationships on workplace as one of the key points of work motivation. That resear...

Adsorption of uranium composites onto saltrock oxides - experimental and theoretical study.

Science.gov (United States)

Ivanova, Bojidarka; Spiteller, Michael

2014-09-01

The study encompassed experimental mass spectrometric and theoretical quantum chemical studies on adsorption of uranium species in different oxidation states of the metal ion, and oxides of UxOy(n+) type, where x = 1 or 3, y = 2 or 8, and n = 0, 1 or 2 onto nanosize-particles of saltrock oxides MO (M = Mg(II), Ca(II), Ni(II), Co(II), Sr(II) or Ba(II)), M2Oy (M = Au(III) or Ag(I), y = 3 or 1) silicates 3Al2O3.2SiO2, natural kaolinite (Al2O2·2SiO2·2H2O), illite (K0.78Ca0.02Na0.02(Mg0.34Al1.69Fe(III)0.02)[Si3.35Al0.65]O10(OH)2·nH2O), CaSiO3, 3MgO·4SiO2,H2O, and M(1)M(2)(SiO4)X2 (M(1) = M(2) = Al or M(1) = K, M(2) = Al, X = F or Cl), respectively. The UV-MALDI-Orbitrap mass spectrometry was utilized in solid-state and semi-liquid colloidal state, involving the laser ablation at λex = 337.2 nm. The theoretical modeling and experimental design was based on chemical-, physico-chemical, physical and biological processes involving uranium species under environmental conditions. Therefore, the results reported are crucial for quality control and monitoring programs for assessment of radionuclide migration. They impact significantly the methodology for evaluation of human health risk from radioactive contamination. The study has importance for understanding the coordination and red-ox chemistry of uranium compounds as well. Due to the double nature of uranium between rare element and superconductivity like materials as well as variety of oxidation states ∈ (+1)-(+6), the there remain challenging areas for theoretical and experimental research, which are of significant importance for management of nuclear fuel cycles and waste storage. Copyright © 2014 Elsevier Ltd. All rights reserved.

Using Mathematics, Mathematical Applications, Mathematical Modelling, and Mathematical Literacy: A Theoretical Study

Science.gov (United States)

Mumcu, Hayal Yavuz

2016-01-01

The purpose of this theoretical study is to explore the relationships between the concepts of using mathematics in the daily life, mathematical applications, mathematical modelling, and mathematical literacy. As these concepts are generally taken as independent concepts in the related literature, they are confused with each other and it becomes…

Studies of the tautomeric equilibrium of 1,3-thiazolidine-2-thione: Theoretical and experimental approaches

Energy Technology Data Exchange (ETDEWEB)

Abbehausen, Camilla; Paiva, Raphael E.F. de [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil); Formiga, Andre L.B., E-mail: formiga@iqm.unicamp.br [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil); Corbi, Pedro P. [Institute of Chemistry, University of Campinas - UNICAMP, P.O. Box 6154, 13083-970 Campinas, SP (Brazil)

2012-10-26

Highlights: Black-Right-Pointing-Pointer Tautomeric equilibrium in solution. Black-Right-Pointing-Pointer Spectroscopic and theoretical studies. Black-Right-Pointing-Pointer UV-Vis theoretical and experimental spectra. Black-Right-Pointing-Pointer {sup 1}H NMR theoretical and experimental spectra. -- Abstract: The tautomeric equilibrium of the thione/thiol forms of 1,3-thiazolidine-2-thione was studied by nuclear magnetic resonance, infrared and ultraviolet-visible spectroscopies. Density functional theory was used to support the experimental data and indicates the predominance of the thione tautomer in the solid state, being in agreement with previously reported crystallographic data. In solution, the tautomeric equilibrium was evaluated using {sup 1}H NMR at different temperatures in four deuterated solvents acetonitrile, dimethylsulfoxide, chloroform and methanol. The equilibrium constants, K = (thiol)/(thione), and free Gibbs energies were obtained by integration of N bonded hydrogen signals at each temperature for each solvent, excluding methanol. The endothermic tautomerization is entropy-driven and the combined effect of solvent and temperature can be used to achieve almost 50% thiol concentrations in solution. The nature of the electronic transitions was investigated theoretically and the assignment of the bands was made using time-dependent DFT as well as the influence of solvent on the energy of the most important bands of the spectra.

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

Science.gov (United States)

Liu, Yingmei; Wang, Hongwei; Wang, Gang

2004-04-01

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

Exploratory experimental and theoretical studies of cyclone gasification of wood powder

Energy Technology Data Exchange (ETDEWEB)

Fredriksson, Christian

1999-11-01

This thesis describes an exploratory experimental and theoretical study of gasification of wood powder in a cyclone gasifier. The generated gas could be used to operate a gas turbine in a combined cycle power plant. The objective has been to develop the understanding of cyclone gasification by experimental studies of the performance of a cyclone designed in principle as a separation cyclone and by comparisons between the experimental results and theoretical predictions. The experiments were carried out with commercial Swedish wood powder fuels, injected with air or steam/air mixture through two diametrically opposite tangential inlets and gasified at atmospheric pressure in cyclones of two different configurations with a volume of about 0.034 m{sup 3}. The studies show that stable gasification of this fuel can be obtained for a specific fuel feeding rate of about 5 MW/m{sup 3} cyclone volume for equivalence ratios above 0.15 and that the equivalence ratio had to be kept below about 0.4 in order to avoid material temperatures above 950 deg C. A cyclone with a short outlet pipe, designed as a conventional separation cyclone was found to give lower char conversion than a modified cyclone with a long outlet pipe. The heating value of the gas was found to be approximately 4.5 MJ/kg. The dust load in the product gas was measured to between 1000 and 2500 mg/Nm{sup 3}. It was possible to separate at least 40-60% of the potassium and 60-90% of the sodium supplied with the wood. The alkali that left the cyclone with the product gas appear to be in solid or melted phase in the unseparated char particles and consequently not vaporised during gasification. As the K and Na were assumed to remain within the particles during gasification, it was concluded that to reduce the amount of alkali metals in the product gas it would be necessary to improve the particle separation efficiency. The results of the theoretical modelling, using the existing models in the commercial software CFX

Theoretical Study of Irradiation Effects in Close Binaries

Directory of Open Access Journals (Sweden)

Srinivasa Rao, M.

2009-06-01

Full Text Available The effect of irradiation is studied in a close binary systemassuming that the secondary component is a point source, moving in a circularorbit. The irradiation effects are calculatedon the atmosphere of the primary component in a 3-dimensional Cartesiancoordinate geometry. In treating the reflection effect theoretically, the totalradiation $(S_mathrm{T}$ is obtained as the sum of the radiation of 1 the effect ofirradiation on the primary component which is calculated by using onedimensional rod model $(S_mathrm{r}$ and 2 the self radiation of the primarycomponent which is calculated by using the solution of radiative transferequation in spherical symmetry $(S_mathrm{s}$. The radiation field is estimated alongthe line of sight of the observer at infinity. It is shown how the radiationfield changes depending on the position of the secondary component.

Theoretical study of the ionization of B2H5

International Nuclear Information System (INIS)

Curtiss, L.A.; Pople, J.A.

1989-01-01

Ab initio molecular orbital calculations at the G1 level of theory have been carried out on neutral B 2 H 5 radical, doubly bridged B 2 H + 5 cation, and the first triplet excited state of B 2 H + 5 . Singly bridged B 2 H 5 is 4.0 kcal/mol (without zero-point energies) more stable than doubly bridged B 2 H 5 . Based on this work and previous theoretical work on triply bridged B 2 H + 5 , ionization potentials (vertical and adiabatic) are determined for B 2 H 5 . The adiabatic ionization potentials of the two B 2 H 5 structures are 6.94 eV (singly bridged) and 7.53 eV (doubly bridged). A very large difference is found between the vertical and adiabatic ionization potentials (3.37 eV) of the singly bridged B 2 H 5 structure. The first triplet state of B 2 H + 5 is found to be 4.55 eV higher in energy than the lowest energy B 2 H + 5 cation (triply bridged). The results of this theoretical study support the interpretation of Ruscic, Schwarz, and Berkowitz of their recent photoionization measurements on B 2 H 5

Theoretical study of defect properties in metals

International Nuclear Information System (INIS)

Sindzingre, P.

1987-01-01

Several characteristic properties (formation and migration enthalpies and volumes, dipole tensors, effects on shear elastic constants) of several point defects (vacancy, divacancy, interstitial, di-interstitial) in different metals: f.c.c. metals (Al, Cu, Ag, Au), h.c.p. metals (Be, Mg, Zn, Cd, Na, Co, Ti, Zr), b.c.c. metals (Li, Na, K, Rb, Cs) have been calculated. The calculated properties are evaluated from static computations performed with pair potentials derived from pseudo-potential theory (for simple or noble metals) or deduced empirically. Results are compared with available experimental data with previous theoretical works. The first part of this work where we have studied point defects properties in f.c.c. metals lead us to suggest a more convincing interpretation of X-ray scattering and elastic relation measurements concerning interstitials in Al and Cu, and a new interpretation for X-ray scattering measurements concerning di-interstitials in Al. In the second part, devoted to h.c.p. metals we are brought to propose for each studied metal the interstitial configurations which yield the best agreement with experimental results. The third part, devoted to the study of point defects in alkalin b.c.c. metals lead us to interpret self-diffusion in these metals with the assumption of a simultaneous contribution of monovacancies, divacancies and interstitials [fr

Theoretical study on the ultra-narrow bandwidth tunable atomic filter with electromagnetically induced transparency

Science.gov (United States)

Liu, Yang; Li, Shu-qing; Feng, Zhong-ying; Liu, Xiao-fei; Gao, Jin-yue

2016-12-01

To obtain the weak signal light detection from the high background noise, we present a theoretical study on the ultra-narrow bandwidth tunable atomic filter with electromagnetically induced transparency. In a three-level Λ -type atomic system in the rubidium D1 line, the bandwidth of the EIT atomic filter is narrowed to ~6.5 \\text{MHz} . And the single peak transmission of the filter can be up to 86% . Moreover, the transmission wavelength can be tuned by changing the coupling light frequency. This theoretical scheme can also be applied to other alkali atomic systems.

Research by design: honouring the Stolen Generation a theoretical anti-memorial

OpenAIRE

Sue-Anne Ware

1999-01-01

This paper discusses theoretical design frameworks and research methods for contemporary memorial design. It is a case study for research by design, an expanding area of design discourse, which offers an alternative to quantitative research practices and 'scientific' methodologies. It expands upon a design research studio, which explored formal design outcomes for an anti-memorial to The Stolen Generation. This essay focuses on ideas about progressive memorial design which prompts multiple re...

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

Czech Academy of Sciences Publication Activity Database

Czernek, Jiří; Brus, Jiří

2013-01-01

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

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

Indian Academy of Sciences (India)

MITESH CHAKRABORTY

2017-11-28

Nov 28, 2017 ... 2Laser and Spectroscopy Laboratory, Department of Applied Physics, Indian Institute of ... The aim of the present paper is to employ theoretical methods to investigate the zero field splitting .... using quantum chemistry computational models has ..... The authors are grateful to the Science and Engineer-.

Prediction of the theoretical capacity of non-aqueous lithium-air batteries

International Nuclear Information System (INIS)

Tan, Peng; Wei, Zhaohuan; Shyy, W.; Zhao, T.S.

2013-01-01

Highlights: • The theoretical capacity of non-aqueous lithium-air batteries is predicted. • Key battery design parameters are defined and considered. • The theoretical battery capacity is about 10% of the lithium capacity. • The battery mass and volume changes after discharge are also studied. - Abstract: In attempt to realistically assess the high-capacity feature of emerging lithium-air batteries, a model is developed for predicting the theoretical capacity of non-aqueous lithium-air batteries. Unlike previous models that were formulated by assuming that the active materials and electrolyte are perfectly balanced according to the electrochemical reaction, the present model takes account of the fraction of the reaction products (Li 2 O 2 and Li 2 O), the utilization of the onboard lithium metal, the utilization of the void volume of the porous cathode, and the onboard excess electrolyte. Results show that the gravimetric capacity increases from 1033 to 1334 mA h/g when the reaction product varies from pure Li 2 O 2 to pure Li 2 O. It is further demonstrated that the capacity declines drastically from 1080 to 307 mA h/g when the case of full utilization of the onboard lithium is altered to that only 10% of the metal is utilized. Similarly, the capacity declines from 1080 to 144 mA h/g when the case of full occupation of the cathode void volume by the reaction products is varied to that only 10% of the void volume is occupied. In general, the theoretical gravimetric capacity of typical non-aqueous lithium-air batteries falls in the range of 380–450 mA h/g, which is about 10–12% of the gravimetric capacity calculated based on the energy density of the lithium metal. The present model also facilitates the study of the effects of different parameters on the mass and volume change of non-aqueous lithium-air batteries

Public private partnerships in tourism - a case study of Kerala Travel Mart

Directory of Open Access Journals (Sweden)

Shobha Menon

2014-01-01

Full Text Available This paper highlights the public private partnership nature of the Kerala Travel Mart ( KTM , a tourism trade show held in Kerala,India. The objective is to apply the theoretical framework from literature to analyse the effectiveness of the public private participatory nature of KTM. A case study approach has been adopted based on secondary data from Government records and from data compiled from KTM. KTM has been found to be a successful model for Public Private Partnership although there are some areas for improvement. This is the first such research study on the PPP nature of a collaborative venture in a destination which can be replicated by other destinations.

Theoretical and Experimental Study on Electromechanical Coupling Properties of Multihammer Synchronous Vibration System

Directory of Open Access Journals (Sweden)

Xin Lai

2016-01-01

Full Text Available Industrial simulation of real external load using multiple exciting points or increasing exciting force by synchronizing multiple exciting forces requires multiple vibration hammers to be coordinated and work together. Multihammer vibration system which consists of several hammers is a complex electromechanical system with complex electromechanical coupling. In this paper, electromechanical coupling properties of such a multihammer vibration system were studied in detail using theoretical derivation, numerical simulation, and experiment. A kinetic model of multihammer synchronous vibration system was established, and approximate expressions for electromechanical coupling strength were solved using a small parameter periodic averaging method. Basic coupling rules and reasons were obtained. Self-synchronization and frequency hopping phenomenon were also analyzed. Subsequently, numerical simulations were carried out and electromechanical coupling process was obtained for different parameters. Simulation results verify correctness of the proposed model and results. Finally, experiments were carried out, self-synchronization and frequency hopping phenomenon were both observed, and results agree well with theoretical deduction and simulation results. These results provide theoretical foundations for multihammer synchronous vibration system and its synchronous control.

Theoretical studies on sRNA-mediated regulation in bacteria

Science.gov (United States)

Chang, Xiao-Xue; Xu, Liu-Fang; Shi, Hua-Lin

2015-12-01

Small RNA(sRNA)-mediated post-transcriptional regulation differs from protein-mediated regulation. Through base-pairing, sRNA can regulate the target mRNA in a catalytic or stoichiometric manner. Some theoretical models were built for comparison of the protein-mediated and sRNA-mediated modes in the steady-state behaviors and noise properties. Many experiments demonstrated that a single sRNA can regulate several mRNAs, which causes crosstalk between the targets. Here, we focus on some models in which two target mRNAs are silenced by the same sRNA to discuss their crosstalk features. Additionally, the sequence-function relationship of sRNA and its role in the kinetic process of base-pairing have been highlighted in model building. Project supported by the National Basic Research Program of China (Grant No. 2013CB834100), the National Natural Science Foundation of China (Grant Nos. 11121403 and 11274320), the Open Project Program of State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, China (Grant No. Y4KF171CJ1), the National Natural Science Foundation for Young Scholar of China (Grant No. 11304115), and the China Postdoctoral Science Foundation (Grant No. 2013M541282).

Final report on case studies

DEFF Research Database (Denmark)

Ljungberg, Daniel; McKelvey, Maureen; Lassen, Astrid Heidemann

2012-01-01

Case study as a research design means investigating a single or multiple instance(s) or setting(s) (i.e. a case) and its entire context to explain a phenomenon and its processes. This is achieved through detailed understanding, usually comprised of multiple sources of information. In this way, case...... studies attempt to provide as a complete an understanding of a (complex) phenomenon as possible. Within the AEGIS project, survey and case study research are complementary. They are complementary in the sense that the former can provide more generalizable evidence on a phenomenon in terms of cross......-sectional data, while the latter can provide more in-depth (qualitative) understanding on specific issues. In systematically examining the case studies, however, this report goes beyond a typical single case study. Here we provide a synthesis of 86 case studies. Multiple case studies, following similar focus...

External Validity in the Study of Human Development: Theoretical and Methodological Issues

Science.gov (United States)

Hultsch, David F.; Hickey, Tom

1978-01-01

An examination of the concept of external validity from two theoretical perspectives: a traditional mechanistic approach and a dialectical organismic approach. Examines the theoretical and methodological implications of these perspectives. (BD)

A theoretical framework to study variations in workplace violence experienced by emergency responders

NARCIS (Netherlands)

L. van Reemst (Lisa)

2016-01-01

markdownabstractEmergency responders are often sent to the front line and are often confronted with aggression and violence in interaction with citizens. According to previous studies, some professionals experience more workplace violence than others. In this article, the theoretical framework to

An Information-Theoretic Approach to PMU Placement in Electric Power Systems

OpenAIRE

Li, Qiao; Cui, Tao; Weng, Yang; Negi, Rohit; Franchetti, Franz; Ilic, Marija D.

2012-01-01

This paper presents an information-theoretic approach to address the phasor measurement unit (PMU) placement problem in electric power systems. Different from the conventional 'topological observability' based approaches, this paper advocates a much more refined, information-theoretic criterion, namely the mutual information (MI) between the PMU measurements and the power system states. The proposed MI criterion can not only include the full system observability as a special case, but also ca...

Experimental and Theoretical Study for the Assessment of the Conformational Stability of Polymethylene-Bridged Heteroaromatic Dimers: A Case of Unprecedented Folding

Czech Academy of Sciences Publication Activity Database

Rai, S. K.; Singh, P.; Kumar, R.; Tewari, A. K.; Hostaš, Jiří; Gnanasekaran, Ramachandran; Hobza, Pavel

2016-01-01

Roč. 16, č. 3 (2016), s. 1176-1180 ISSN 1528-7483 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : Leonard linker compounds * central bond length * crystallographic evidence Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.055, year: 2016

Absorption coefficients of silicon: A theoretical treatment

Science.gov (United States)

Tsai, Chin-Yi

2018-05-01

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

Double Exponential Relativity Theory Coupled Theoretically with Quantum Theory?

International Nuclear Information System (INIS)

Montero Garcia, Jose de la Luz; Novoa Blanco, Jesus Francisco

2007-01-01

Here the problem of special relativity is analyzed into the context of a new theoretical formulation: the Double Exponential Theory of Special Relativity with respect to which the current Special or Restricted Theory of Relativity (STR) turns to be a particular case only

Theoretical Studies in Heterogenous Catalysis: Towards a Rational Design of Novel Catalysts for Hydrodesulfurization and Hydrogen Production

Energy Technology Data Exchange (ETDEWEB)

Rodriguez,J.A.; Liu, P.

2008-10-01

Traditionally, knowledge in heterogeneous catalysis has come through empirical research. Nowadays, there is a clear interest to change this since millions of dollars in products are generated every year in the chemical and petrochemical industries through catalytic processes. To obtain a fundamental knowledge of the factors that determine the activity of heterogeneous catalysts is a challenge for modern science since many of these systems are very complex in nature. In principle, when a molecule adsorbs on the surface of a heterogeneous catalyst, it can interact with a large number of bonding sites. It is known that the chemical properties of these bonding sites depend strongly on the chemical environment around them. Thus, there can be big variations in chemical reactivity when going from one region to another in the surface of a heterogeneous catalyst. A main objective is to understand how the structural and electronic properties of a surface affect the energetics for adsorption processes and the paths for dissociation and chemical reactions. In recent years, advances in instrumentation and experimental procedures have allowed a large series of detailed works on the surface chemistry of heterogeneous catalysts. In many cases, these experimental studies have shown interesting and unique phenomena. Theory is needed to unravel the basic interactions behind these phenomena and to provide a general framework for the interpretation of experimental results. Ideally, theoretical calculations based on density-functional theory have evolved to the point that one should be able to predict patterns in the activity of catalytic surfaces. As in the case of experimental techniques, no single theoretical approach is able to address the large diversity of phenomena occurring on a catalyst. Catalytic surfaces are usually modeled using either a finite cluster or a two-dimensionally periodic slab. Many articles have been published comparing the results of these two approaches. An

A Theoretical Framework to Study Variations in Workplace Violence Experienced by Emergency Responders

NARCIS (Netherlands)

L. van Reemst (Lisa)

2016-01-01

textabstractEmergency responders are often sent to the front line and are often confronted with aggression and violence in inter- action with citizens. According to previous studies, some professionals experience more workplace violence than others. In this article, the theoretical framework to

Theoretical study of the structure and the reactivity of lanthanides and actinides complexes: Activation of small molecules

International Nuclear Information System (INIS)

Castro, Ludovic

2012-01-01

This PhD thesis presents a theoretical study of the structure and the reactivity of organometallic complexes of lanthanides and actinides at the DFT level. After a general introduction of the methods of theoretical chemistry used for the modelling of organometallic reactivity, a study of the participation of 5f electrons in uranium(IV) reactivity is presented. The results show that the large core ECP can be used safely in order to treat the actinide and so that 5f electrons can be treated implicitly. Then, the reactivity of uranium(III) complexes with CO 2 and other analogous molecules is studied via multiple examples from the literature. These studies show that the steric nature of the ligands is very important and controls the reactivity. This study is then extended to samarium(II) complex. Eventually, the reactivity of a hydride complex of cerium(III) with MeOSO 2 Me is investigated and theoretical results are compared with experimental observations. (author) [fr

[Case-non case studies: Principles, methods, bias and interpretation].

Science.gov (United States)

Faillie, Jean-Luc

2017-10-31

Case-non case studies belongs to the methods assessing drug safety by analyzing the disproportionality of notifications of adverse drug reactions in pharmacovigilance databases. Used for the first time in the 1980s, the last few decades have seen a significant increase in the use of this design. The principle of the case-non case study is to compare drug exposure in cases of a studied adverse reaction with that of cases of other reported adverse reactions and called "non cases". Results are presented in the form of a reporting odds ratio (ROR), the interpretation of which makes it possible to identify drug safety signals. This article describes the principle of the case-non case study, the method of calculating the ROR and its confidence interval, the different modalities of analysis and how to interpret its results with regard to the advantages and limitations of this design. Copyright © 2017 Société française de pharmacologie et de thérapeutique. Published by Elsevier Masson SAS. All rights reserved.

Theoretical studies of oxides relevant to the combustion of fossil fuels

Science.gov (United States)

Hicks, Jason Michael

Anthropogenic pollution has greatly increased since the industrial revolution and continues to increase as more of the world becomes dependent upon fossil fuels for important applications like transportation and power production. In a general case, whenever a fossil fuel is consumed, a primary product of a complete combustion reaction is carbon dioxide. In a more specific case, the collection, processing and combustion of coal for power production are one of the primary ways by which trace elements, such as arsenic and selenium, are released into the environment. All of these pollutants are known to have harmful effects, whether on the environment, human health or power production itself. Because of this there has been an increasing interest in studies related to combating these pollutants. Concerning CO2 emissions, recently there has been a significant amount of work related to CO2 capture. A promising method involves the encapsulation of CO2 into isoreticular metal-organic frameworks (IRMOFs). The effectiveness of IMROFs greatly depends on the choice of both metal and organic parts. Molecular simulations have been used in the past to aid in the design and characterization of new MOFs, in particular by generating an adsorption isotherm. However, these traditional simulation methods have several drawbacks. The method used in this thesis, namely expanded Wang-Landau, not only overcomes these drawbacks but provides access to all the thermodynamic properties relevant to the adsorption process through a solution thermodynamics approach. This is greatly beneficial, since an excellent way to characterize the performance of various MOFs is by comparing their desorption free energy, i.e., the energy it takes to regenerate a saturated MOF to prepare it for the next adsorption cycle. Expanded WL was used in the study of CO 2 adsorption into IRMOF-1, 8 and 10 at eight temperatures, spanning both the subcritical and supercritical regimes and the following were obtained

Dark matter: Theoretical perspectives

International Nuclear Information System (INIS)

Turner, M.S.

1993-01-01

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

Factors Affecting the Adoption of Cloud Computing in the Government Sector: A Case Study of Saudi Arabia

OpenAIRE

Majed alsanea; Jennifer Barth

2015-01-01

Cloud computing technology can play an important role in the public sector organisations since it decreases the cost of using information technology (IT) services and also has several other benefits. This paper aims to examine a range of factors affecting the cloud computing adoption by governments. In a case study of Saudi government organasations, a survey was conducted and four Saudi organisations participated in the study. The survey was theoretically designed based on the literature. An ...

EUROPEAN UNION DEMOCRATIC GOVERNANCE: A CASE STUDY OF THE EUROPEAN CITIZENS’ INITIATIVE

Directory of Open Access Journals (Sweden)

Andrei MORARU

2016-12-01

Full Text Available Despite significant optimism surrounding the European Citizens’ Initiative (ECI, its success between April 2012 and December 2015 has been limited. This paper aims to determine why the ECI has had limited success and how it can be improved. Using a case study methodology composed of semi-structured qualitative interviews with ECI organizers and document analysis, it identified two sets of causes through the lens of governance theory: (i legal, practical and logistical and (ii theoretical. While the former are more technical in nature and thus might be easier to solve, the latter reveal structural limitations, especially linked to the ECI’s priorities. The research reveals contradiction into how these objectives are interpreted by different actors and how the underlying power structure of the community method remains unchanged despite the narrative of innovation. I outline two alternative models to the ECI, the participative and deliberative initiative by drawing on David Held’s theoretical models of democracy. They outline improvements to the ECI by suggesting clearer priorities: citizen inclusion in the decision-making process or continent-wide public deliberation on EU issues.

Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

KAUST Repository

Kalligiannaki, Evangelia

2015-01-07

We study the application of information theoretic tools for model reduction in the case of systems driven by stochastic dynamics out of equilibrium. The model/dimension reduction is considered by proposing parametrized coarse grained dynamics and finding the optimal parameter set for which the relative entropy rate with respect to the atomistic dynamics is minimized. The minimization problem leads to a generalization of the force matching methods to non equilibrium systems. A multiplicative noise example reveals the importance of the diffusion coefficient in the optimization problem.

Theoretical study of the interparticle interaction of nanoparticles randomly dispersed on a substrate

International Nuclear Information System (INIS)

Horikoshi, S.; Kato, T.

2015-01-01

Metal nanoparticles exhibit the phenomenon of localized surface plasmon resonance (LSPR) due to the collective oscillation of their conduction electrons, which is induced by external electromagnetic radiation. The finite-differential time-domain (FDTD) method is widely used as an electromagnetic field analysis tool for nanoparticles. Although the influence of interparticle interactions is taken into consideration in the FDTD calculation for the plural particles configuration, the FDTD calculation of a random configuration is very difficult, particularly in the case of non-spherical particles. In this study, a theoretical calculation method incorporating interparticle interactions on a substrate with various particle shapes and sizes on a subwavelength scale is developed. The interparticle interaction is incorporated following FDTD calculation with an isolated single particle. This is explained systematically using a signal flow graph. Moreover, the mirror image effect of the substrate and the retardation effect are also taken into account in this method. The validity of this method is verified by calculations for simple arrangements of nanoparticles. In addition, it is confirmed that the method can improve the accuracy of predicted experimental results for Au nanoparticles prepared by the sputtering method, in terms of the plasmon peak wavelength. This method may enable the design of LSPR devices by controlling nanoparticle characteristics, such as the size, shape, and distribution density

Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

International Nuclear Information System (INIS)

Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

2012-01-01

Highlights: ► We study properties of Ph 2 Tz and (PhTz) n Ph as candidates for organic electronics. ► The synthesis of Ph 2 Tz was performed through a modified Pinner-type reaction. ► IR/Raman spectra allowed to conclude that Ph 2 Tz is nearly planar in liquid phase. ► Electronic structure was studied by UV–Vis/TD-DFT methods in different solvents. ► Bandgap, E LUMO , electron mobility predict some n-type character for limit polymer. -- Abstract: This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph 2 Tz) and some oligomeric derivatives. Ph 2 Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV–Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

Theoretical studies of ionic conductivity of crosslinked chitosan membranes

Energy Technology Data Exchange (ETDEWEB)

Chavez, Ernesto Lopez [Programa de Ingenieria Molecular y Nuevos Materiales, Universidad Autonoma de la Ciudad de Mexico, Fray Servando Teresa de Mier 92, 1er. Piso, Col Centro, Mexico D.F. CP 06080 (Mexico); Oviedo-Roa, R.; Contreras-Perez, Gustavo; Martinez-Magadan, Jose Manuel [Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas Norte 152, Col. San Bartolo Atepehuacan, CP 07730 Mexico D.F. (Mexico); Castillo-Alvarado, F.L. [Escuela Superior de Fisica y Matematicas del Instituto Politecnico Nacional, Edificio 9 de la UPALM, Colonia Lindavista, Mexico D.F. CP 07738 (Mexico)

2010-11-15

Ionic conductivity of crosslinked chitosan membranes was studied using techniques of molecular modeling and simulation. The COMPASS force field was used. The simulation allows the description of the mechanism of ionic conductivity along the polymer matrix. The theoretical results obtained are compared with experimental results for chitosan membranes. The analysis suggests that the conduction mechanism is portrayed by the overlapping large Polaron tunneling model. In addition, when the chitosan membrane was crosslinked with an appropriate degree of crosslinking its ionic conductivity, at room temperature, was increased by about one order of magnitude. The chitosan membranes can be used as electrolytes in solid state batteries, electric double layer capacitors and fuel cells. (author)

Coulomb drag in anisotropic systems: a theoretical study on a double-layer phosphorene

NARCIS (Netherlands)

Saberi-Pouya, S.; Vazifehshenas, T.; Farmanbar Gelepordsari, M.; Salavati-Fard, T.

2016-01-01

We theoretically study the Coulomb drag resistivity in a double-layer electron system with highly anisotropic parabolic band structure using Boltzmann transport theory. As an example, we consider a double-layer phosphorene on which we apply our formalism. This approach, in principle, can be tuned

Interactive 3D visualization for theoretical virtual observatories

Science.gov (United States)

Dykes, T.; Hassan, A.; Gheller, C.; Croton, D.; Krokos, M.

2018-06-01

Virtual observatories (VOs) are online hubs of scientific knowledge. They encompass a collection of platforms dedicated to the storage and dissemination of astronomical data, from simple data archives to e-research platforms offering advanced tools for data exploration and analysis. Whilst the more mature platforms within VOs primarily serve the observational community, there are also services fulfilling a similar role for theoretical data. Scientific visualization can be an effective tool for analysis and exploration of data sets made accessible through web platforms for theoretical data, which often contain spatial dimensions and properties inherently suitable for visualization via e.g. mock imaging in 2D or volume rendering in 3D. We analyse the current state of 3D visualization for big theoretical astronomical data sets through scientific web portals and virtual observatory services. We discuss some of the challenges for interactive 3D visualization and how it can augment the workflow of users in a virtual observatory context. Finally we showcase a lightweight client-server visualization tool for particle-based data sets, allowing quantitative visualization via data filtering, highlighting two example use cases within the Theoretical Astrophysical Observatory.

Interactive 3D Visualization for Theoretical Virtual Observatories

Science.gov (United States)

Dykes, Tim; Hassan, A.; Gheller, C.; Croton, D.; Krokos, M.

2018-04-01

Virtual Observatories (VOs) are online hubs of scientific knowledge. They encompass a collection of platforms dedicated to the storage and dissemination of astronomical data, from simple data archives to e-research platforms offering advanced tools for data exploration and analysis. Whilst the more mature platforms within VOs primarily serve the observational community, there are also services fulfilling a similar role for theoretical data. Scientific visualization can be an effective tool for analysis and exploration of datasets made accessible through web platforms for theoretical data, which often contain spatial dimensions and properties inherently suitable for visualization via e.g. mock imaging in 2d or volume rendering in 3d. We analyze the current state of 3d visualization for big theoretical astronomical datasets through scientific web portals and virtual observatory services. We discuss some of the challenges for interactive 3d visualization and how it can augment the workflow of users in a virtual observatory context. Finally we showcase a lightweight client-server visualization tool for particle-based datasets allowing quantitative visualization via data filtering, highlighting two example use cases within the Theoretical Astrophysical Observatory.

A theoretical study on the photoionization of the valence orbitals of phosphine

Directory of Open Access Journals (Sweden)

Nascimento Edmar M.

2006-01-01

Full Text Available We report a theoretical study on the photoionization of phosphine in the static-exchange level and frozen core approximation, using the method of continued fractions. The main subject of the present study is to investigate in which extent the Hartree-Fock description of the target applied to molecular photoionization is valid. Also, the role played by multichannel coupling is analysed. Our study shows that single-channel Hartree-Fock calculations can provide reliable results except for photon energies near the photoionization threshold.

Coordination to transition metal surfaces : a theoretical study

NARCIS (Netherlands)

Santen, van R.A.

1985-01-01

A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due

Theoretical study of electronic absorption spectroscopy of propadienylidene molecule vis-â-vis the observed diffuse interstellar bands

International Nuclear Information System (INIS)

Reddy, Samala Nagaprasad; Mahapatra, S.

2012-01-01

Highlights: ► Theoretical study of spectroscopy and dynamics of electronically excited l-C 3 H 2 . ► Construction of ab initio electronic potential energy and diabatic coupling surfaces. ► First principles study of nuclear dynamics on excited electronic states. ► Findings reveal l-C 3 H 2 is a potential molecular carrier of diffuse interstellar bands. ► Electronically excited l-C 3 H 2 decays by ultrafast nonradiative internal conversion. -- Abstract: Observation of broad and diffuse interstellar bands (DIBs) at 4881 Å and 5440 Å assigned to the optical absorption spectrum of Y-shaped propadienylidene (H 2 C=C=C:) molecule is theoretically examined in this paper. This molecule apparently absorbs in the same wavelength region as the observed DIBs and was suggested to be a potential carrier of these DIBs. This assignment mostly relied on the experimental data from radioastronomy and laboratory measurements. Motivated by these available experimental data we attempt here a theoretical study and investigate the detailed electronic structure and nuclear dynamics underlying the electronic absorption bands of propadienylidene molecule. Our results show that this molecule indeed absorbs in the wavelength region of the recorded DIBs. Strong nonadiabatic coupling between its energetically low-lying electronic states plays major role, initiates ultrafast internal conversion and contributes to the spectral broadening. Theoretical findings are finally compared with the available experimental and theoretical data and discussed in connection with the recorded DIBs.

Theoretical study on the inverse modeling of deep body temperature measurement

International Nuclear Information System (INIS)

Huang, Ming; Chen, Wenxi

2012-01-01

We evaluated the theoretical aspects of monitoring the deep body temperature distribution with the inverse modeling method. A two-dimensional model was built based on anatomical structure to simulate the human abdomen. By integrating biophysical and physiological information, the deep body temperature distribution was estimated from cutaneous surface temperature measurements using an inverse quasilinear method. Simulations were conducted with and without the heat effect of blood perfusion in the muscle and skin layers. The results of the simulations showed consistently that the noise characteristics and arrangement of the temperature sensors were the major factors affecting the accuracy of the inverse solution. With temperature sensors of 0.05 °C systematic error and an optimized 16-sensor arrangement, the inverse method could estimate the deep body temperature distribution with an average absolute error of less than 0.20 °C. The results of this theoretical study suggest that it is possible to reconstruct the deep body temperature distribution with the inverse method and that this approach merits further investigation. (paper)

Theoretical foundations of international migration process studies: analysis of key migration theories development

Directory of Open Access Journals (Sweden)

Shymanska K.V.

2017-03-01

Full Text Available The need for transformation of Ukraine's migration policy based on globalized world development trends and in response to the challenges of European integration transformations causes the need of researching the theoretical and methodological basis of migration studies, and the regulations of existing theories of international migration. The bibliometric analysis of scientific publications on international migration in cites indexes found that the recent researches on these problems acquire interdisciplinary character. It necessitates the transformation of migration study approaches basing on economic, social, institutional theories and concepts synthesis. The article is devoted to the study of theoretical regulations of existing international migration theories in the context of the evolution of scientists’ views on this phenomenon. The author found that the existing theories of international migration should be divided into three categories (microeconomic, macroeconomic, globalizational that contributes to their understanding in the context of implementation possibilities in migrational public administration practice. It allows to determine the theories which should be used for Ukrainian state migration policy constructing and eliminating or reducing the external migration negative effects.

Annual Report 2013-2014: Theoretical Studies of Nerve Agents Adsorbed on Surfaces

Science.gov (United States)

2014-07-08

magnesium oxide. Journal of Physical Chemistry B 2004, 108, 5294-5303. 7. Michalkova, A.; Paukku, Y.; Majumdar, D.; Leszczynski, J., Theoretical study...M.; Hyre, A. M., Ultraviolet Raman Spectra and Cross-Sections of the G-series Nerve Agents. Applied Spectroscopy 2008, 62, 1078-1083. 12. DaBell...mol) 24 2.3 Raman and DFT study of pyrocarbonate 2.3.1 In-situ Raman spectroscopic investigation The Li2CO3 and Na2CO3 eutectic mixture (52:48

Bringing the (disabled) body to personality psychology: A case study of Samantha.

Science.gov (United States)

Adler, Jonathan M

2017-12-09

Personality psychology has largely ignored the experiences of people with disabilities. This article strives to bring the thriving, interdisciplinary field of disability studies to personality psychology via a case study of Samantha (N = 1). Samantha feels that she grew up as a hearing person who could not hear and is now a deaf person who can hear. Narrative identity provides the theoretical, methodological, and analytical framework for the rich, qualitative examination of Samantha's life story, interwoven with approaches from disability studies and intersectionality theory. Two Life Story Interviews (McAdams, 2008), conducted 2 weeks prior to Samantha's cochlear implant surgery and again 7 weeks after the surgery, provide the foundation for this case study and are interpreted alongside additional self-report measures. Grounded theory methods were used to interpret Samantha's narrative identity. Samantha's story demonstrates the ways in which narrative identity can serve as a foundation for meaning and psychological well-being, as well as a demonstration of the ways in which the study of identity can be enriched by perspectives from disability studies. As an initial effort at integrating personality psychology and disability studies, this article sought to approach this task by privileging ethical representation over generalizability. © 2017 Wiley Periodicals, Inc.

Experimental and theoretical studies on a novel helical architecture ...

Indian Academy of Sciences (India)

aKey Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory ... bInstitute for Computation in Molecular and Material Science, School of Chemical Engineering, Nanjing ... mental and theoretical points of view is still largely.

The structure, vibrational spectra and nonlinear optical properties of the L-lysine × tartaric acid complex—Theoretical studies

Science.gov (United States)

Drozd, M.; Marchewka, M. K.

2006-05-01

The room temperature X-ray studies of L-lysine × tartaric acid complex are not unambiguous. The disorder of three atoms of carbon in L-lysine molecule is observed. These X-ray studies are ambiguous. The theoretical geometry study performed by DFT methods explain the most doubts which are connected with crystallographic measurements. The theoretical vibrational frequencies and potential energy distribution (PED) of L-lysine × tartaric acid were calculated by B3LYP method. The calculated frequencies were compared with experimental measured IR spectra. The complete assignment of the bands has been made on the basis of the calculated PED. The restricted Hartee-Fock (RHF) methods were used for calculation of the hyperpolarizability for investigated compound. The theoretical results are compared with experimental value of β.

Theoretical studies on the α decay half-lives of hyper and normal ...

Indian Academy of Sciences (India)

The α decay half-lives of hyper and normal isotopes of Po nuclei are studied in the present work. The inclusion of Λ – N interaction changes the half-life for α decay. The theoretical predictions on the α decay half-lives of normal Po isotopes are compared with experimental results and are seen to be matching well with each ...

Reactor oscillator project - Theoretical study; operation problems; choice of the ionization chamber

International Nuclear Information System (INIS)

Lolic, B.; Markovic, V.

1961-01-01

Theoretical study of the reactor operator covers methods of the danger coefficient and the method based on measuring the phase angle. Operation with the reactor oscillator describes measurement of the cross section and resonance integral, measurement of the fissionable materials properties, measurement of impurities in the graphite sample. A separate chapter is devoted to the choice of the appropriate ionization chamber

Case-control studies in neurosurgery.

Science.gov (United States)

Nesvick, Cody L; Thompson, Clinton J; Boop, Frederick A; Klimo, Paul

2014-08-01

Observational studies, such as cohort and case-control studies, are valuable instruments in evidence-based medicine. Case-control studies, in particular, are becoming increasingly popular in the neurosurgical literature due to their low cost and relative ease of execution; however, no one has yet systematically assessed these types of studies for quality in methodology and reporting. The authors performed a literature search using PubMed/MEDLINE to identify all studies that explicitly identified themselves as "case-control" and were published in the JNS Publishing Group journals (Journal of Neurosurgery, Journal of Neurosurgery: Pediatrics, Journal of Neurosurgery: Spine, and Neurosurgical Focus) or Neurosurgery. Each paper was evaluated for 22 descriptive variables and then categorized as having either met or missed the basic definition of a case-control study. All studies that evaluated risk factors for a well-defined outcome were considered true case-control studies. The authors sought to identify key features or phrases that were or were not predictive of a true case-control study. Those papers that satisfied the definition were further evaluated using the Strengthening the Reporting of Observational Studies in Epidemiology (STROBE) checklist. The search detected 67 papers that met the inclusion criteria, of which 32 (48%) represented true case-control studies. The frequency of true case-control studies has not changed with time. Use of odds ratios (ORs) and logistic regression (LR) analysis were strong positive predictors of true case-control studies (for odds ratios, OR 15.33 and 95% CI 4.52-51.97; for logistic regression analysis, OR 8.77 and 95% CI 2.69-28.56). Conversely, negative predictors included focus on a procedure/intervention (OR 0.35, 95% CI 0.13-0.998) and use of the word "outcome" in the Results section (OR 0.23, 95% CI 0.082-0.65). After exclusion of nested case-control studies, the negative correlation between focus on a procedure

Theoretical study on device efficiency of pulsed liquid jet pump

International Nuclear Information System (INIS)

Gao Chuanchang; Lu Hongqi; Wang Shicheng; Cheng Mingchuan

2001-01-01

The influence of the main factors on device efficiency of pulsed liquid jet pump with gas-liquid piston is analysed, the theoretical equation and its time-averaged solution of pulsed liquid jet pump device efficiency are derived. The theoretical and experimental results show that the efficiency of transmission of energy and mass to use pulsed jet is greatly raised, compared with steady jet, in the same device of liquid jet pump. The calculating results of time-averaged efficiency of pulsed liquid jet pump are approximately in agreement with the experimental results in our and foreign countries

The social embeddedness of media use - Action theoretical contributions to the study of TV use in everyday life

NARCIS (Netherlands)

Westerik, H.

2009-01-01

Scholars in the field of communication research have extensively studied television viewing in general and watching television news in particular. The book looks at the subject from an integrative theoretical perspective. Based on Schutzean sociology and action theoretical approaches to media use,

Theoretical study of structure of electric field in helical toroidal plasmas

International Nuclear Information System (INIS)

Toda, S.; Itoh, K.

2001-06-01

A set of transport equations is analyzed, including the bifurcation of the electric field. The structure of the electric field is studied by use of the theoretical model for the anomalous transport diffusivities. The steep gradient of the electric field is obtained at the electric domain. The suppression of the anomalous transport diffusivity is studied in the presence of the strong shear of the electric field. The hard transition with the multiple ambipolar solutions is examined in the structure of the radial electric field. The details of the structure of the electric domain interface are investigated. (author)

A game-theoretic approach to real-time system testing

DEFF Research Database (Denmark)

David, Alexandre; Larsen, Kim Guldstrand; Li, Shuhao

2008-01-01

This paper presents a game-theoretic approach to the testing of uncontrollable real-time systems. By modelling the systems with Timed I/O Game Automata and specifying the test purposes as Timed CTL formulas, we employ a recently developed timed game solver UPPAAL-TIGA to synthesize winning...... strategies, and then use these strategies to conduct black-box conformance testing of the systems. The testing process is proved to be sound and complete with respect to the given test purposes. Case study and preliminary experimental results indicate that this is a viable approach to uncontrollable timed...... system testing....

Exploring How Globalization Shapes Education: Methodology and Theoretical Framework

Science.gov (United States)

Pan, Su-Yan

2010-01-01

This is a commentary on some major issues raised in Carter and Dediwalage's "Globalisation and science education: The case of "Sustainability by the bay"" (this issue), particularly their methodology and theoretical framework for understanding how globalisation shapes education (including science education). While acknowledging the authors'…

Strategic Orientation Towards Sustainable Innovation: A Case Study in a Brazilian University

Directory of Open Access Journals (Sweden)

Mauri Leodir Löbler

2012-07-01

Full Text Available The technological development that results from innovation can lead to considerable environmental impact. Yet, companies and other stakeholders have not done enough to develop strategies for minimizing waste management. The present study contributes to research in this area, by empirically examining the link between the management of technological innovation and sustainability. A case study was carried out to examine the extent to which there is strategic orientation towards both technological innovation and sustainability in a large public university in Brazil. The results show the importance of integrating sustainability activities within the organisation’s corporate strategy: although the researched organisation had sufficient theoretical knowledge about waste management, the lack of an integrated strategy led to uncoordinated attempts at recycling within the university.

Theoretical and observational studies of stellar activity

International Nuclear Information System (INIS)

Schmitt, J.H.M.M.

1984-01-01

In the theoretical part of this thesis, doubly-diffusive MHD instabilities are studied as a means of breaking up a diffuse magnetic field at the bottom of the solar convection zone. The analysis is linear and local, and assumes short meridional wavelengths; the effects of rotation and diffusion of vorticity, magnetic fields and heat are included. Results show that the instability depends sensitively on the temperature stratification, but rather insensitively on the assumed magnetic field configuration; instability time scales considerably less than the solar cycle period can be easily obtained. In the observational part of the thesis, results are reported of a survey of the x-ray emission of stars with shallow connection zones to study the onset of convection and dynamo activity along the main sequence. Complications arising from stellar multiplicity are discussed extensively; it is demonstrated that binaries have statistically higher x-ray luminosities; and it is shown that physical parameters can only be deduced from single stars. It is further shown that the x-ray luminosities of stars with spectral type in the color range 0.1 less than or equal to B. V less than or equal to 0.5 increase rapidly, whereas stars with B. V approx. 0.0 appear to have no intrinsic x-ray emission at presently detectable levels

Monitoring progression of clinical reasoning skills during health sciences education using the case method - a qualitative observational study.

Science.gov (United States)

Orban, Kristina; Ekelin, Maria; Edgren, Gudrun; Sandgren, Olof; Hovbrandt, Pia; Persson, Eva K

2017-09-11

Outcome- or competency-based education is well established in medical and health sciences education. Curricula are based on courses where students develop their competences and assessment is also usually course-based. Clinical reasoning is an important competence, and the aim of this study was to monitor and describe students' progression in professional clinical reasoning skills during health sciences education using observations of group discussions following the case method. In this qualitative study students from three different health education programmes were observed while discussing clinical cases in a modified Harvard case method session. A rubric with four dimensions - problem-solving process, disciplinary knowledge, character of discussion and communication - was used as an observational tool to identify clinical reasoning. A deductive content analysis was performed. The results revealed the students' transition over time from reasoning based strictly on theoretical knowledge to reasoning ability characterized by clinical considerations and experiences. Students who were approaching the end of their education immediately identified the most important problem and then focused on this in their discussion. Practice knowledge increased over time, which was seen as progression in the use of professional language, concepts, terms and the use of prior clinical experience. The character of the discussion evolved from theoretical considerations early in the education to clinical reasoning in later years. Communication within the groups was supportive and conducted with a professional tone. Our observations revealed progression in several aspects of students' clinical reasoning skills on a group level in their discussions of clinical cases. We suggest that the case method can be a useful tool in assessing quality in health sciences education.

Role of information theoretic uncertainty relations in quantum theory

International Nuclear Information System (INIS)

Jizba, Petr; Dunningham, Jacob A.; Joo, Jaewoo

2015-01-01

Uncertainty relations based on information theory for both discrete and continuous distribution functions are briefly reviewed. We extend these results to account for (differential) Rényi entropy and its related entropy power. This allows us to find a new class of information-theoretic uncertainty relations (ITURs). The potency of such uncertainty relations in quantum mechanics is illustrated with a simple two-energy-level model where they outperform both the usual Robertson–Schrödinger uncertainty relation and Shannon entropy based uncertainty relation. In the continuous case the ensuing entropy power uncertainty relations are discussed in the context of heavy tailed wave functions and Schrödinger cat states. Again, improvement over both the Robertson–Schrödinger uncertainty principle and Shannon ITUR is demonstrated in these cases. Further salient issues such as the proof of a generalized entropy power inequality and a geometric picture of information-theoretic uncertainty relations are also discussed

Role of information theoretic uncertainty relations in quantum theory

Energy Technology Data Exchange (ETDEWEB)

Jizba, Petr, E-mail: p.jizba@fjfi.cvut.cz [FNSPE, Czech Technical University in Prague, Břehová 7, 115 19 Praha 1 (Czech Republic); ITP, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin (Germany); Dunningham, Jacob A., E-mail: J.Dunningham@sussex.ac.uk [Department of Physics and Astronomy, University of Sussex, Falmer, Brighton, BN1 9QH (United Kingdom); Joo, Jaewoo, E-mail: j.joo@surrey.ac.uk [Advanced Technology Institute and Department of Physics, University of Surrey, Guildford, GU2 7XH (United Kingdom)

2015-04-15

Uncertainty relations based on information theory for both discrete and continuous distribution functions are briefly reviewed. We extend these results to account for (differential) Rényi entropy and its related entropy power. This allows us to find a new class of information-theoretic uncertainty relations (ITURs). The potency of such uncertainty relations in quantum mechanics is illustrated with a simple two-energy-level model where they outperform both the usual Robertson–Schrödinger uncertainty relation and Shannon entropy based uncertainty relation. In the continuous case the ensuing entropy power uncertainty relations are discussed in the context of heavy tailed wave functions and Schrödinger cat states. Again, improvement over both the Robertson–Schrödinger uncertainty principle and Shannon ITUR is demonstrated in these cases. Further salient issues such as the proof of a generalized entropy power inequality and a geometric picture of information-theoretic uncertainty relations are also discussed.

Acculturation Strategy, Integration Paradoxes and Educational Adaptation--A Case Study of Chinese Visiting Scholar's Family in the United States

Science.gov (United States)

Weidong, Li; Chen, Sisi

2017-01-01

In this case study, we developed a theoretical framework for examining the relationship between acculturation strategy and educational adaptation. By interviews and observations of one Chinese visiting scholar's family in the United States, we found that the family utilized "integration" as the acculturation strategy to adapt to the US…

A unified theoretical and experimental study of anisotropic hardening

International Nuclear Information System (INIS)

Boehler, J.P.; Raclin, J.

1981-01-01

The purpose of this work is to develop a consistent formulation of the constitutive relations regarding anisotropic hardening materials. Attention is focused on the appearance and the evolution of mechanical anisotropies during irreversible processes, such as plastic forming and inelastic deformation of structures. The representation theorems for anisotropic tensor functions constitute a theoretical basis, allowing to reduce arbitrariness and to obtain a unified formulation of anisotropic hardening. In this approach, a general three-dimensional constitutive law is developed for prestrained initially orthotropic materials. Introduction of the plastic behavior results in the general forms of both the flow-law and the yield criterion. The developed theory is then specialized for the case of plane stress and different modes of anisotropic hardening are analyzed. A new generalization of the Von Mises criterion is proposed, in considering a homogeneous form of order two in stress and employing the simplest combinations of the basic invariants entering the general form of the yield condition. The proposed criterion involves specific terms accounting for the initial anisotropy, the deformation induced anisotropy and correlative terms between initial and induced anisotropy. The effects of prestrainings result in both isotropic and anisotropic hardening. An adequate experimental program, consisting of uniaxial tensile tests on oriented specimens of prestrained sheet-metal, was performed, in order to determine the specific form and the evolution of the anisotropic failure criterion for soft-steel subjected to different irreversible prestrainings. (orig.)

Safety Management. An Introduction to a Frame of Reference Exemplified with Case Studies from Non-Nuclear Contexts

Energy Technology Data Exchange (ETDEWEB)

Svensson, Ola (Risk Analysis, Social and Decision Research Unit, Dept. of Psychology, Stockholm Univ., Stockholm (Sweden)); Salo, Ilkka (Dept. of Psychology, Lund Univ., Lund (Sweden))

2004-11-15

A systems perspective on safety management is introduced followed by two briefly presented case studies of safety management in non-nuclear contexts. The first study concerns a car manufacturer and the second study a road traffic tunnel system. The risks of a car accident in the first case study are evident. The great exposure generates many incidents and accidents. In the second study, the rather low traffic intensity through the tunnel produces few incidents and accidents and only a few fatal accidents over the years. Yet, the risk of the individual traveler is much greater in the tunnel than on the average road. The case studies are presented in a systems perspective with emphasis on information feedback about the risks of the systems. The first case study illustrates high quality safety management, while the second case study shows many weaknesses of the safety management in the tunnel system. Some differences in safety management between the case studies are noted. The last part of the study presents an organizational perspective on safety management and offers alternative theoretical perspectives on the concept of safety management. The report shows that further studies are needed both (1) to develop a frame of reference for describing safety management across industries and activities and (2) to collect data illustrating of good and poor safety management. Then, the results can be used to strengthen and/or improving safety management in the nuclear power industry and its regulators

Safety Management. An Introduction to a Frame of Reference Exemplified with Case Studies from Non-Nuclear Contexts

International Nuclear Information System (INIS)

Svensson, Ola; Salo, Ilkka

2004-11-01

A systems perspective on safety management is introduced followed by two briefly presented case studies of safety management in non-nuclear contexts. The first study concerns a car manufacturer and the second study a road traffic tunnel system. The risks of a car accident in the first case study are evident. The great exposure generates many incidents and accidents. In the second study, the rather low traffic intensity through the tunnel produces few incidents and accidents and only a few fatal accidents over the years. Yet, the risk of the individual traveler is much greater in the tunnel than on the average road. The case studies are presented in a systems perspective with emphasis on information feedback about the risks of the systems. The first case study illustrates high quality safety management, while the second case study shows many weaknesses of the safety management in the tunnel system. Some differences in safety management between the case studies are noted. The last part of the study presents an organizational perspective on safety management and offers alternative theoretical perspectives on the concept of safety management. The report shows that further studies are needed both (1) to develop a frame of reference for describing safety management across industries and activities and (2) to collect data illustrating of good and poor safety management. Then, the results can be used to strengthen and/or improving safety management in the nuclear power industry and its regulators

Computational assessment of hemodynamics-based diagnostic tools using a database of virtual subjects: Application to three case studies.

Science.gov (United States)

Willemet, Marie; Vennin, Samuel; Alastruey, Jordi

2016-12-08

Many physiological indexes and algorithms based on pulse wave analysis have been suggested in order to better assess cardiovascular function. Because these tools are often computed from in-vivo hemodynamic measurements, their validation is time-consuming, challenging, and biased by measurement errors. Recently, a new methodology has been suggested to assess theoretically these computed tools: a database of virtual subjects generated using numerical 1D-0D modeling of arterial hemodynamics. The generated set of simulations encloses a wide selection of healthy cases that could be encountered in a clinical study. We applied this new methodology to three different case studies that demonstrate the potential of our new tool, and illustrated each of them with a clinically relevant example: (i) we assessed the accuracy of indexes estimating pulse wave velocity; (ii) we validated and refined an algorithm that computes central blood pressure; and (iii) we investigated theoretical mechanisms behind the augmentation index. Our database of virtual subjects is a new tool to assist the clinician: it provides insight into the physical mechanisms underlying the correlations observed in clinical practice. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Theoretical Study of the Diastereofacial Isomers of Aldrin and Dieldrin

Directory of Open Access Journals (Sweden)

Zoran Zdravkovski

2006-02-01

Full Text Available The Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene givesaldrin but theoretically three other diastereofacial isomers are possible. On oxidation theseisomers can generate eight adducts one of which is known as dieldrin. All these, as well asthe corresponding reactions with hexafluorocyclopenadiene were studied by semiempirical(AM1 and PM3 and hybrid density functional (B3LYP methods. Besides the energy levels,the transition states were calculated for the reactions leading to the diastereofacial isomers ofaldrin, which indicate that aldrin is the favored product of the reaction both fromthermodynamic and kinetic point of view.

Theoretical disagreement about law

Directory of Open Access Journals (Sweden)

Zdravković Miloš

2014-01-01

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

Optical and theoretical studies of giant clouds in spiral galaxies

International Nuclear Information System (INIS)

Elmegreen, B.G.; Elmegreen, D.M.

1980-01-01

An optical study of four spiral galaxies, combined with radiative transfer models for transmitted and scattered light, has led to a determination of the opacities and masses of numerous dark patches and dust lanes that outline spiral structure. The observed compression factors for the spiral-like dust lanes are in accord with expectations from the theory of gas flow in spiral density waves. Several low density (10 2 cm -3 ) clouds containing 10 6 to 10 7 solar masses were also studied. These results are discussed in terms of recent theoretical models of cloud and star formation in spiral galaxies. The long-term evolution of giant molecular clouds is shown to have important consequences for the positions and ages of star formation sites in spiral arms. (Auth.)

Glycolate adsorption at gold and platinum electrodes: A theoretical and in situ spectroelectrochemical study

International Nuclear Information System (INIS)

Delgado, Jose Manuel; Blanco, Raquel; Orts, Jose Manuel; Perez, Juan Manuel; Rodes, Antonio

2010-01-01

The adsorption of glycolate anions at sputtered gold thin-film electrodes was studied in perchloric acid solutions by cyclic voltammetry experiments combined with in situ Surface Enhanced Raman Scattering (SERS) and Surface Enhanced Infrared Reflection Absorption Spectroscopy under attenuated total reflection conditions (ATR-SEIRAS). Theoretical harmonic vibrational frequencies and band intensities obtained from B3LYP/LANL2DZ,6-31+G(d) calculations for glycolate species adsorbed on Au clusters with (1 1 1) orientation were used to interpret the experimental spectra. Vibrational data confirm the bidentate bonding of glycolate anions through the oxygen atoms of the carboxylate group, in a bridge configuration with the OCO plane perpendicular to the metal surface. The DFT calculations show no significant effect of the total charge of the metal cluster-adsorbate adduct on the vibrational frequencies of adsorbed glycolate species. The infrared experimental study is extended to platinum films electrochemically deposited onto sputtered gold thin-film electrodes showing the potential-dependent formation of adsorbed CO upon dissociative adsorption of glycolate anions. As in the case of gold, the reversible adsorption of glycolate anions takes place in a bidentate configuration as predicted by DFT calculations for glycolate adsorbed on Pt(1 1 1) clusters. At low glycolic acid concentration, the in situ ATR-SEIRA spectra evidence the formation of adsorbed oxalate as reaction intermediate.

[Participatory education and the development of critical reading in teachers theoretical texts. Multicenter study].

Science.gov (United States)

Leyva-González, Félix Arturo; Leo-Amador, Guillermo Enrique; Viniegra-Velázquez, Leonardo; Degollado-Bardales, Lilia; Zavala-Arenas, Jesús Arturo; González-Cobos, Roberto Palemón; Valencia-Sánchez, Jesús Salvador; Leyva-Salas, César Arturo; Angulo-Bernal, Sonia Elizabeth; Gómez-Arteaga, Gress Marissell

2010-01-01

Determine what the relationship between participation in classroom of students attending courses at the Educational Research and Teacher Education (CIEFD's) and the development of proficiency in critical reading of theoretical texts in education. Intervention study, multicenter students (medical specialist) level Diploma in teaching methodology (DMDN) 1 and 2 (n=46 n=29) of the six CIEFD's (DF Siglo XXI, Mexico City La Raza, Nuevo Leon, Sonora, Puebla and Veracruz), period: March to August 2007 and a Masters in education (n=9, generation 2007-2008). Two instruments were constructed that evaluated the participation variables and critical reading of theoretical texts in education, conceptual validity; content and reliability were assessed by experts in education research. The educational intervention was in the form of seminars (three times a week in DMDN 1 and twice weekly in DMDN 2 and Masters). Participation was assessed halfway through the course and on completion, critical reading at the beginning as well as the end. Statistically significant associations were observed in DMDN 1 (four Centers) and the Masters, but not DMDN 2. In this investigation some of the theoretical proposals of the participatory education were recreated, starting from the analysis of our results. In some centers and in the masters, strengthening participation in this educational intervention is related to the development of critical reading of theoretical texts in education.

A theoretical approach to artificial intelligence systems in medicine.

Science.gov (United States)

Spyropoulos, B; Papagounos, G

1995-10-01

The various theoretical models of disease, the nosology which is accepted by the medical community and the prevalent logic of diagnosis determine both the medical approach as well as the development of the relevant technology including the structure and function of the A.I. systems involved. A.I. systems in medicine, in addition to the specific parameters which enable them to reach a diagnostic and/or therapeutic proposal, entail implicitly theoretical assumptions and socio-cultural attitudes which prejudice the orientation and the final outcome of the procedure. The various models -causal, probabilistic, case-based etc. -are critically examined and their ethical and methodological limitations are brought to light. The lack of a self-consistent theoretical framework in medicine, the multi-faceted character of the human organism as well as the non-explicit nature of the theoretical assumptions involved in A.I. systems restrict them to the role of decision supporting "instruments" rather than regarding them as decision making "devices". This supporting role and, especially, the important function which A.I. systems should have in the structure, the methods and the content of medical education underscore the need of further research in the theoretical aspects and the actual development of such systems.

Innovation and Business Model: a case study about integration of Innovation Funnel and Business Model Canvas

Directory of Open Access Journals (Sweden)

Fábio Luiz Zandoval Bonazzi

2014-12-01

Full Text Available Unlike the past, currently, thinking about innovation refers to a reflection of value cocreation through strategic alliances, customer approach and adoption of different business models. Thus, this study analyzed and described the innovation process of company DSM, connecting it to concepts of organizational development strategies and the theory of business model. This is a basic interpretive qualitative research, developed by means of a single case study conducted through interviews and documentary analysis. This study enabled us to categorize the company business model as an open, unbundled and innovative model, which makes innovation a dependent variable of this internal configuration of value creation and value capture. As a theoretical contribution, we highlight the convergence and complementarity of the “Business Model Canvas” tool and “Innovation Funnel,” used here, to analyze the empirical case.

Development of theoretical methodology for large molecules

International Nuclear Information System (INIS)

Maggiora, G.M.; Christoffersen, R.E.; Yoffe, J.A.; Petke, J.D.

1981-01-01

A major advantage of the use of floating spherical Gaussian or vitals (FSGO) is the extreme rapidity with which the necessary quantum mechanical integrals can be evaluated. This advantage has been exploited in several quantum mechanical procedures for molecular electronic structure calculations, as described below. Several other properties of these functions have also been exploited, and have led to the development of semiclassical point charge and harmonic oscillator models capable of describing first and second order electromagnetic properties and intermolecular forces with reasonable accuracy in all cases and with considerably better accuracy than much more elaborate theoretical procedures in some cases. These applications are also described below. The primary intent of the current paper is to present an overview of some of the uses of FSGOs in the study of molecular electronic structure and properties and to indicate possible directions for future applications. No attempt will be made to include all possible applications. Rather, those applications of interest to the authors have been stressed. Hopefully, this paper will further stimulate the development of additional uses of these remarkable functions

Electronic properties of diphenyl-s-tetrazine and some related oligomers. An spectroscopic and theoretical study

Energy Technology Data Exchange (ETDEWEB)

Moral, Monica; Garcia, Gregorio [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Penas, Antonio [Departamento de Quimica Inorganica y Organica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Garzon, Andres; Granadino-Roldan, Jose M. [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Melguizo, Manuel [Departamento de Quimica Inorganica y Organica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain); Fernandez-Gomez, Manuel, E-mail: mfg@ujaen.es [Departamento de Quimica Fisica y Analitica, Facultad de Ciencias Experimentales, Universidad de Jaen, Campus las Lagunillas, E23071 Jaen (Spain)

2012-10-26

Highlights: Black-Right-Pointing-Pointer We study properties of Ph{sub 2}Tz and (PhTz){sub n}Ph as candidates for organic electronics. Black-Right-Pointing-Pointer The synthesis of Ph{sub 2}Tz was performed through a modified Pinner-type reaction. Black-Right-Pointing-Pointer IR/Raman spectra allowed to conclude that Ph{sub 2}Tz is nearly planar in liquid phase. Black-Right-Pointing-Pointer Electronic structure was studied by UV-Vis/TD-DFT methods in different solvents. Black-Right-Pointing-Pointer Bandgap, E{sub LUMO}, electron mobility predict some n-type character for limit polymer. -- Abstract: This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph{sub 2}Tz) and some oligomeric derivatives. Ph{sub 2}Tz was synthesized through a variation of Pinner-type reaction which uses N-acetylcysteine as catalyst. Insight into the structure and electronic properties of the title compound was obtained through IR, Raman, UV-Vis spectra in different solvents, and theoretical calculations. Theoretical studies have been extended to different n-mers derivatives up to an ideal molecular wire through the oligomeric approximation, predicting this way electronic properties such as LUMO energy levels, electron affinity and reorganization energy in order to assess their possible applications in molecular electronics.

Connecting single cell to collective cell behavior in a unified theoretical framework

Science.gov (United States)

George, Mishel; Bullo, Francesco; Campàs, Otger

Collective cell behavior is an essential part of tissue and organ morphogenesis during embryonic development, as well as of various disease processes, such as cancer. In contrast to many in vitro studies of collective cell migration, most cases of in vivo collective cell migration involve rather small groups of cells, with large sheets of migrating cells being less common. The vast majority of theoretical descriptions of collective cell behavior focus on large numbers of cells, but fail to accurately capture the dynamics of small groups of cells. Here we introduce a low-dimensional theoretical description that successfully captures single cell migration, cell collisions, collective dynamics in small groups of cells, and force propagation during sheet expansion, all within a common theoretical framework. Our description is derived from first principles and also includes key phenomenological aspects of cell migration that control the dynamics of traction forces. Among other results, we explain the counter-intuitive observations that pairs of cells repel each other upon collision while they behave in a coordinated manner within larger clusters.

Case Study: Mini-Case Studies: Small Infusions of Active Learning for Large-Lecture Courses

Science.gov (United States)

Carloye, Lisa

2017-01-01

In this article, the author introduces the usage of case studies to be an excellent method for engaging students through stories. The author notes she developed a series of mini-case studies that can be implemented, with a little advance preparation, within a 10- to 15-minute window during lecture. What makes them "mini" case studies?…

BioFleet case studies

International Nuclear Information System (INIS)

2007-01-01

These six case studies examined the use of different biodiesel blends as fuel supply sources for businesses in British Columbia (BC). In the first case study, 6 municipalities participated in a pilot program designed to compare the performance of biodiesel and diesel fuels. Each municipality operated 2 base vehicles running on conventional diesel along with 2 similar vehicles which used biodiesel. Real time emissions tests and analyses of the vehicles using biodiesel were also conducted by 2 of the participating municipalities. All municipalities participating in the study agreed to purchase significant volumes of biodiesel. The second case study described a pilot study conducted by the City of Vancouver's equipment services branch in 2004. As a result of the study, the city now has over 530 types of equipment that use biodiesel. The third case study described a program designed by TSI Terminals in Vancouver to assess the emission reduction impact of using biodiesel at its port facility. Six different pieces of equipment were used to confirm that biodiesel could be used throughout the terminal. Test results confirmed that biodiesel blends could be used to reduce emissions. Overall emissions were reduced by 30 per cent. The fourth case study described a waste renderer that used a fleet of 36 trucks to deliver raw products to its plants. The company made the decision to use only biodiesel for its entire fleet of trucks. Since July 2005, the company has logged over 1.7 million km using biodiesel blends. The fifth case study described a salmon hatchery that switched from diesel to biodiesel in order to reduce emissions. The biodiesel blends are used to fuel the hatchery's 2 diesel generators. The hatchery has reduced emissions of greenhouse gases (GHGs) by an estimated 1800 tonnes annually. The sixth case study described how the Township of Langley has started using biodiesel for its entire fleet of of approximately 250 pieces of equipment. The township has not

An experimental and theoretical study of reaction mechanisms between nitriles and hydroxylamine.

Science.gov (United States)

Vörös, Attila; Mucsi, Zoltán; Baán, Zoltán; Timári, Géza; Hermecz, István; Mizsey, Péter; Finta, Zoltán

2014-10-28

The industrially relevant reaction between nitriles and hydroxylamine yielding amidoximes was studied in different molecular solvents and in ionic liquids. In industry, this procedure is carried out on the ton scale in alcohol solutions and the above transformation produces a significant amount of unexpected amide by-product, depending on the nature of the nitrile, which can cause further analytical and purification issues. Although there were earlier attempts to propose mechanisms for this transformation, the real reaction pathway is still under discussion. A new detailed reaction mechanistic explanation, based on theoretical and experimental proof, is given to augment the former mechanisms, which allowed us to find a more efficient, side-product free procedure. Interpreting the theoretical results obtained, it was shown that the application of specific imidazolium, phosphonium and quaternary ammonium based ionic liquids could decrease simultaneously the reaction time while eliminating the amide side-product, leading to the targeted product selectively. This robust and economic procedure now affords a fast, selective amide free synthesis of amidoximes.

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...

Collaboration and patient safety at an emergency department - a qualitative case study.

Science.gov (United States)

Pedersen, Anna Helene Meldgaard; Rasmussen, Kurt; Grytnes, Regine; Nielsen, Kent Jacob

2018-03-19

Purpose The purpose of this paper is to examine how conflicts about collaboration between staff at different departments arose during the establishment of a new emergency department and how these conflicts affected the daily work and ultimately patient safety at the emergency department. Design/methodology/approach This qualitative single case study draws on qualitative semi-structured interviews and participant observation. The theoretical concepts "availability" and "receptiveness" as antecedents for collaboration will be applied in the analysis. Findings Close collaboration between departments was an essential precondition for the functioning of the new emergency department. The study shows how a lack of antecedents for collaboration affected the working relation and communication between employees and departments, which spurred negative feelings and reproduced conflicts. This situation was seen as a potential threat for the safety of the emergency patients. Research limitations/implications This study presents a single case study, at a specific point in time, and should be used as an illustrative example of how contextual and situational factors affect the working environment and through that patient safety. Originality/value Few studies provide an in-depth investigation of what actually takes place when collaboration between professional groups goes wrong and escalates, and how problems in collaboration may affect patient safety.

A Combined Theoretical and Experimental Study for Silver Electroplating

Science.gov (United States)

Liu, Anmin; Ren, Xuefeng; An, Maozhong; Zhang, Jinqiu; Yang, Peixia; Wang, Bo; Zhu, Yongming; Wang, Chong

2014-01-01

A novel method combined theoretical and experimental study for environmental friendly silver electroplating was introduced. Quantum chemical calculations and molecular dynamic (MD) simulations were employed for predicting the behaviour and function of the complexing agents. Electronic properties, orbital information, and single point energies of the 5,5-dimethylhydantoin (DMH), nicotinic acid (NA), as well as their silver(I)-complexes were provided by quantum chemical calculations based on density functional theory (DFT). Adsorption behaviors of the agents on copper and silver surfaces were investigated using MD simulations. Basing on the data of quantum chemical calculations and MD simulations, we believed that DMH and NA could be the promising complexing agents for silver electroplating. The experimental results, including of electrochemical measurement and silver electroplating, further confirmed the above prediction. This efficient and versatile method thus opens a new window to study or design complexing agents for generalized metal electroplating and will vigorously promote the level of this research region.

A Combined Theoretical and Experimental Study for Silver Electroplating

Science.gov (United States)

Liu, Anmin; Ren, Xuefeng; An, Maozhong; Zhang, Jinqiu; Yang, Peixia; Wang, Bo; Zhu, Yongming; Wang, Chong

2014-01-01

A novel method combined theoretical and experimental study for environmental friendly silver electroplating was introduced. Quantum chemical calculations and molecular dynamic (MD) simulations were employed for predicting the behaviour and function of the complexing agents. Electronic properties, orbital information, and single point energies of the 5,5-dimethylhydantoin (DMH), nicotinic acid (NA), as well as their silver(I)-complexes were provided by quantum chemical calculations based on density functional theory (DFT). Adsorption behaviors of the agents on copper and silver surfaces were investigated using MD simulations. Basing on the data of quantum chemical calculations and MD simulations, we believed that DMH and NA could be the promising complexing agents for silver electroplating. The experimental results, including of electrochemical measurement and silver electroplating, further confirmed the above prediction. This efficient and versatile method thus opens a new window to study or design complexing agents for generalized metal electroplating and will vigorously promote the level of this research region. PMID:24452389

Electrochemistry of chlorogenic acid: experimental and theoretical studies

Energy Technology Data Exchange (ETDEWEB)

Namazian, Mansoor [Department of Chemistry, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)]. E-mail: namazian@yazduni.ac.ir; Zare, Hamid R. [Department of Chemistry, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)

2005-08-10

Cyclic voltammetry, chronoamperometry and rotating disk electrode voltammetry as well as quantum chemical methods, are used for electrochemical study of chlorogenic acid, as an important biological molecule. The standard formal potential, diffusion coefficient, and heterogeneous electron transfer rate constant of chlorogenic acid in aqueous solution are investigated. Acidic dissociation constant of chlorogenic acid is also obtained. Quantum mechanical calculations on oxidation of chlorogenic acid in aqueous solution, using density functional theory are presented. The change of Gibbs free energy and entropy of oxidation of chlorogenic acid are calculated using thermochemistry calculations. The calculations in aqueous solution are carried out with the use of polarizable continuum solvation method. Theoretical standard electrode potential of chlorogenic acid is achieved to be 0.580 V versus standard calomel electrode (SCE) which is in agreement with the experimental value of 0.617 V obtained experimentally in this work. The difference is consistent with the values we previously reported for other quinone derivatives.

An Experimental and Theoretical Study on Cavitating Propellers.

Science.gov (United States)

1982-10-01

34 And Identfyp eV &to" nMeeJ cascade flow theoretical supercavitating flow performance prediction method partially cavitating flow supercavitating ...the present work was to develop an analytical tool for predicting the off-design performance of supercavitating propellers over a wide range of...operating conditions. Due to the complex nature of the flow phenomena, a lifting line theory sirply combined with the two-dimensional supercavitating

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

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.

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.

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

Studies in Theoretical and Applied Statistics

CERN Document Server

Pratesi, Monica; Ruiz-Gazen, Anne

2018-01-01

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

Describing Case Study Method and Identifying the Factors that Contribute to the Successful Conduct of Case Studies

OpenAIRE

Ahmad H. Juma'h; Mustafa Cavus

2001-01-01

This article has attempted to describe case study, the limitations and critiques on case study methodology and how the proponents have responded to these. Our special focus have been on the debate on theory building from case study research, and a framework for conducting case study research as well as the factors for a successful case study research. The overall conclusion is that the case study has been inappropriately used to generate theories.

[Social determinants of odontalgia in epidemiological studies: theoretical review and proposed conceptual model].

Science.gov (United States)

Bastos, João Luiz Dornelles; Gigante, Denise Petrucci; Peres, Karen Glazer; Nedel, Fúlvio Borges

2007-01-01

The epidemiological literature has been limited by the absence of a theoretical framework reflecting the complexity of causal mechanisms for the occurrence of health phenomena / disease conditions. In the field of oral epidemiology, such lack of theory also prevails, since dental caries the leading topic in oral research has been often studied through a biological and reductionist viewpoint. One of the most important consequences of dental caries is dental pain (odontalgia), which has received little attention in studies with sophisticated theoretical models and powerful designs to establish causal relationships. The purpose of this study is to review the scientific literature on the determinants of odontalgia and to discuss theories proposed for the explanation of the phenomenon. Conceptual models and emerging theories on the social determinants of oral health are revised, in an attempt to build up links with the bio-psychosocial pain model, proposing a more elaborate causal model for odontalgia. The framework suggests causal pathways between social structure and oral health through material, psychosocial and behavioral pathways. Aspects of the social structure are highlighted in order to relate them to odontalgia, stressing their importance in discussions of causal relationships in oral health research.

Plasmon holographic experiments: theoretical framework

International Nuclear Information System (INIS)

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

2005-01-01

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

Theoretical aspects and the experience of studying spectra of low-frequency microseisms

Science.gov (United States)

Birialtsev, E.; Vildanov, A.; Eronina, E.; Rizhov, D.; Rizhov, V.; Sharapov, I.

2009-04-01

The appearance of low-frequency spectral anomalies in natural microseismic noise over oil and gas deposits is observed since 1989 in different oil and gas regions (S. Arutunov, S. Dangel, G. Goloshubin). Several methods of prospecting and exploration of oil and gas deposits based on this effect (NTK ANCHAR, Spectraseis AG). There are several points of view (S. Arutunov, E. Birialtsev, Y. Podladchikov) about the physical model of effect which are based on fundamentally different geophysical mechanisms. One of them is based on the hypothesis of generation of the microseismic noise in to an oil and gas reservoir. Another point of view is based on the mechanism of the filtering microseismic noise in the geological medium where oil and gas reservoir is the contrast layer. For the first hypothesis an adequate quantity physical-mathematical model is absent. Second hypothesis has a discrepancy of distribution energy on theoretical calculated frequencies of waveguides «ground surface - oil deposit» eigenmodes. The fundamental frequency (less than 1 Hz for most cases) should have a highest amplitude as opposed to the regular observation range is 1-10 Hz. During 2005-2008 years by specialists of «Gradient» JSC were processed microsesmic signals from more 50 geological objects. The parameters of low-frequency anomalies were compared with medium properties (porosity, saturation and viscosity) defined according to drilling, allowed to carry out a statistical analysis and to establish some correlation. This paper presents results of theoretical calculation of spectra of microseisms in the zone of oil and gas deposits by mathematical modeling of propagation of seismic waves and comparing spectra of model microseisms with actually observed. Mathematical modeling of microseismic vibrations spectra showed good correlation of theoretical spectra and observed in practice. This is proof the applicability of microseismic methods of exploration for oil and gas. Correlation between

SOCIOLOGICAL UNDERSTANDING OF INTERNET: THEORETICAL APPROACHES TO THE NETWORK ANALYSIS

Directory of Open Access Journals (Sweden)

D. E. Dobrinskaya

2016-01-01

Full Text Available Internet studies are carried out by various scientific disciplines and in different research perspectives. Sociological studies of the Internet deal with a new technology, a revolutionary means of mass communication and a social space. There is a set of research difficulties associated with the Internet. Firstly, the high speed and wide spread of Internet technologies’ development. Secondly, the collection and filtration of materials concerning with Internet studies. Lastly, the development of new conceptual categories, which are able to reflect the impact of the Internet development in contemporary world. In that regard the question of the “network” category use is essential. Network is the base of Internet functioning, on the one hand. On the other hand, network is the ground for almost all social interactions in modern society. So such society is called network society. Three theoretical network approaches in the Internet research case are the most relevant: network society theory, social network analysis and actor-network theory. Each of these theoretical approaches contributes to the study of the Internet. They shape various images of interactions between human beings in their entity and dynamics. All these approaches also provide information about the nature of these interactions. 

Theoretical and experimental studies on the daily accumulative heat gain from cool roofs

International Nuclear Information System (INIS)

Qin, Yinghong; Zhang, Mingyi; Hiller, Jacob E.

2017-01-01

Cool roofs are gaining popularity as passive building cooling techniques, but the correlation between energy savings and rooftop albedo has not been understood completely. Here we theoretically model the daily accumulative inward heat (DAIH) from building roofs with different albedo values, correlating the heat gain of the building roof to both the rooftop albedo and the incident solar radiation. According to this model, the DAIH increases linearly with the daily zenith solar radiation, but decreases linearly with the rooftop albedo. A small building cell was constructed to monitor the heat gain of the building under the conditions of non-insulated and insulated roofs. The observational DAIH is highly coincident with the theoretical one, validating the theoretical model. It was found that insulating the roof, increasing the rooftop albedo, or both options can effectively curtail the heat gain in buildings during the summer season. The proposed theoretical model would be a powerful tool for evaluating the heat gain of the buildings and estimating the energy savings potential of high-reflective cool roofs. - Highlights: • Daily accumulative heat gain from a building roof is theoretically modeled. • Daily accumulative heat gain from a building roof increases linearly with rooftop absorptivity. • Increasing the roof insulation tapers the effect of the rooftop absorptivity. • The theoretical model is powerful for estimating energy savings of reflective roofs.

How To Set Up Your Own Small Business. Service Company Case Study. Manufacturing Firm Case Study. Retail Store Case Study.

Science.gov (United States)

Fallek, Max

This collection of case studies is intended for use in a course in setting up a small business. The first, a case study of the process of setting up a service company, covers analyzing the pros and cons of starting one's own business, assessing the competition and local market, and selecting a site for and financing the business. The principal…

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,…

Theoretical underpinnings of transformation: a case study | Blunt ...

African Journals Online (AJOL)

Encouraged by this information, the Faculty moved quickly towards creating viable new Programmes presented by multi disciplinary teams using innovative modes of delivery. The new strategy met with immediate success in some respects, less so in others. The article traces the ways in which the Faculty has continued to ...

Geometry and quadratic nonlinearity of charge transfer complexes in solution: A theoretical study

International Nuclear Information System (INIS)

Mukhopadhyay, S.; Ramasesha, S.; Pandey, Ravindra; Das, Puspendu K.

2011-01-01

In this paper, we have computed the quadratic nonlinear optical (NLO) properties of a class of weak charge transfer (CT) complexes. These weak complexes are formed when the methyl substituted benzenes (donors) are added to strong acceptors like chloranil (CHL) or di-chloro-di-cyano benzoquinone (DDQ) in chloroform or in dichloromethane. The formation of such complexes is manifested by the presence of a broad absorption maximum in the visible range of the spectrum where neither the donor nor the acceptor absorbs. The appearance of this visible band is due to CT interactions, which result in strong NLO responses. We have employed the semiempirical intermediate neglect of differential overlap (INDO/S) Hamiltonian to calculate the energy levels of these CT complexes using single and double configuration interaction (SDCI). The solvent effects are taken into account by using the self-consistent reaction field (SCRF) scheme. The geometry of the complex is obtained by exploring different relative molecular geometries by rotating the acceptor with respect to the fixed donor about three different axes. The theoretical geometry that best fits the experimental energy gaps, β HRS and macroscopic depolarization ratios is taken to be the most probable geometry of the complex. Our studies show that the most probable geometry of these complexes in solution is the parallel displaced structure with a significant twist in some cases.

Theoretical study on perylene derivatives as fluorescent sensors for amines

Science.gov (United States)

Lathiotakis, Nektarios N.; Kerkines, Ioannis S. K.; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.

2018-01-01

A theoretical study is presented on perylene diimide (PDI) and perylene monoimide (PMI) and their action as sensors of amines in solution. Density functional theory (DFT) and Time dependent DFT (TDDFT) calculations are carried out on complexes of PDI and PMI with aniline in THF solution. The optimized geometries for the complexes have aniline lying parallel above the perylene at 3.15 Å and with binding energy of 0.53 eV in the ground state. The results on the excited states are consistent with a photoinduced electron transfer (PET) mechanism. The effective aniline-perylene distance resulting from a Mulliken's approach is 3.61 Å.

Theory Testing Using Case Studies

DEFF Research Database (Denmark)

Møller, Ann-Kristina Løkke; Dissing Sørensen, Pernille

2014-01-01

The appropriateness of case studies as a tool for theory testing is still a controversial issue, and discussions about the weaknesses of such research designs have previously taken precedence over those about its strengths. The purpose of the paper is to examine and revive the approach of theory...... testing using case studies, including the associated research goal, analysis, and generalisability. We argue that research designs for theory testing using case studies differ from theorybuilding case study research designs because different research projects serve different purposes and follow different...... research paths....

Experimental and theoretical study of the energy loss of C and O in Zn

Energy Technology Data Exchange (ETDEWEB)

Cantero, E. D.; Lantschner, G. H.; Arista, N. R. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica, 8400 San Carlos de Bariloche (Argentina); Montanari, C. C.; Miraglia, J. E. [Instituto de Astronomia y Fisica del Espacio (CONICET-UBA), Buenos Aires (Argentina); Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Behar, M.; Fadanelli, R. C. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, Porto Alegre-RS (Brazil)

2011-07-15

We present a combined experimental-theoretical study of the energy loss of C and O ions in Zn in the energy range 50-1000 keV/amu. This contribution has a double purpose, experimental and theoretical. On the experimental side, we present stopping power measurements that fill a gap in the literature for these projectile-target combinations and cover an extended energy range, including the stopping maximum. On the theoretical side, we make a quantitative test on the applicability of various theoretical approaches to calculate the energy loss of heavy swift ions in solids. The description is performed using different models for valence and inner-shell electrons: a nonperturbative scattering calculation based on the transport cross section formalism to describe the Zn valence electron contribution, and two different models for the inner-shell contribution: the shellwise local plasma approximation (SLPA) and the convolution approximation for swift particles (CasP). The experimental results indicate that C is the limit for the applicability of the SLPA approach, which previously was successfully applied to projectiles from H to B. We find that this model clearly overestimates the stopping data for O ions. The origin of these discrepancies is related to the perturbative approximation involved in the SLPA. This shortcoming has been solved by using the nonperturbative CasP results to describe the inner-shell contribution, which yields a very good agreement with the experiments for both C and O ions.

Studies in theoretical high energy particle physics

International Nuclear Information System (INIS)

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

1993-01-01

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

One hundred years: A collective case study of climate change education in Georgia

Science.gov (United States)

Bloch, Leonard Mark

This collective case study examined how five K-12 science teachers taught about climate change during Fall 2013, and asked how the University of Georgia can support climate change education. The participants were all experienced teachers, and included: three high school teachers, a middle school teacher, and an elementary school teacher. 'Postcarbonism', an emerging theoretical framework, shaped the research and guided the analysis. The teachers varied in their teaching practices and in their conceptions of 'climate change', but they were united in: 1) their focus on mitigation over adaptation, and 2) presenting climate change as a remote problem with simple solutions. The teachers drew on varied resources, but in all cases, their most valuable resources were their own skills, knowledge and personality. The University of Georgia can support climate change education by developing locally relevant educational resources. Curriculum developers might consider building upon the work of outstanding teach.

Theoretical study of heat transfer with moving phase-change interface in thawing of frozen food

International Nuclear Information System (INIS)

Leung, M; Ching, W H; Leung, D Y C; Lam, G C K

2005-01-01

A theoretical solution was obtained for a transient phase-change heat transfer problem in thawing of frozen food. In the physical model, a sphere originally at a uniform temperature below the phase-change temperature is suddenly immersed in a fluid at a temperature above the phase-change temperature. As the body temperature increases, the phase-change interface will be first formed on the surface. Subsequently, the interface will absorb the latent heat and move towards the centre until the whole body undergoes complete phase change. In the mathematical formulation, the nonhomogeneous problem arises from the moving phase-change interface. The solution in terms of the time-dependent temperature field was obtained by use of Green's function. A one-step Newton-Raphson method was specially designed to solve for the position of the moving interface to satisfy the interface condition. The theoretical results were compared with numerical results generated by a finite difference model and experimental measurements collected from a cold water thawing process. As a good agreement was found, the theoretical solution developed in this study was verified numerically and experimentally. Besides thawing of frozen food, there are many other practical applications of the theoretical solution, such as food freezing, soil freezing/thawing, metal casting and bath quenching heat treatment, among others

Theoretical study of heat transfer with moving phase-change interface in thawing of frozen food

Science.gov (United States)

Leung, M.; Ching, W. H.; Leung, D. Y. C.; Lam, G. C. K.

2005-02-01

A theoretical solution was obtained for a transient phase-change heat transfer problem in thawing of frozen food. In the physical model, a sphere originally at a uniform temperature below the phase-change temperature is suddenly immersed in a fluid at a temperature above the phase-change temperature. As the body temperature increases, the phase-change interface will be first formed on the surface. Subsequently, the interface will absorb the latent heat and move towards the centre until the whole body undergoes complete phase change. In the mathematical formulation, the nonhomogeneous problem arises from the moving phase-change interface. The solution in terms of the time-dependent temperature field was obtained by use of Green's function. A one-step Newton-Raphson method was specially designed to solve for the position of the moving interface to satisfy the interface condition. The theoretical results were compared with numerical results generated by a finite difference model and experimental measurements collected from a cold water thawing process. As a good agreement was found, the theoretical solution developed in this study was verified numerically and experimentally. Besides thawing of frozen food, there are many other practical applications of the theoretical solution, such as food freezing, soil freezing/thawing, metal casting and bath quenching heat treatment, among others.

Experimental and theoretical studies of near-ground acoustic radiation propagation in the atmosphere

Science.gov (United States)

Belov, Vladimir V.; Burkatovskaya, Yuliya B.; Krasnenko, Nikolai P.; Rakov, Aleksandr S.; Rakov, Denis S.; Shamanaeva, Liudmila G.

2017-11-01

Results of experimental and theoretical studies of the process of near-ground propagation of monochromatic acoustic radiation on atmospheric paths from a source to a receiver taking into account the contribution of multiple scattering on fluctuations of atmospheric temperature and wind velocity, refraction of sound on the wind velocity and temperature gradients, and its reflection by the underlying surface for different models of the atmosphere depending the sound frequency, coefficient of reflection from the underlying surface, propagation distance, and source and receiver altitudes are presented. Calculations were performed by the Monte Carlo method using the local estimation algorithm by the computer program developed by the authors. Results of experimental investigations under controllable conditions are compared with theoretical estimates and results of analytical calculations for the Delany-Bazley impedance model. Satisfactory agreement of the data obtained confirms the correctness of the suggested computer program.

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.

Overview. Department of Theoretical Physics. Section 4

Energy Technology Data Exchange (ETDEWEB)

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

1996-12-31

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

Overview. Department of Theoretical Physics. Section 4

International Nuclear Information System (INIS)

Kwiecinski, J.

1995-01-01

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

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

African Journals Online (AJOL)

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

Theoretical study of the flow in a fluid damper containing high viscosity silicone oil: Effects of shear-thinning and viscoelasticity

Science.gov (United States)

Syrakos, Alexandros; Dimakopoulos, Yannis; Tsamopoulos, John

2018-03-01

The flow inside a fluid damper where a piston reciprocates sinusoidally inside an outer casing containing high-viscosity silicone oil is simulated using a finite volume method, at various excitation frequencies. The oil is modeled by the Carreau-Yasuda (CY) and Phan-Thien and Tanner (PTT) constitutive equations. Both models account for shear-thinning, but only the PTT model accounts for elasticity. The CY and other generalised Newtonian models have been previously used in theoretical studies of fluid dampers, but the present study is the first to perform full two-dimensional (axisymmetric) simulations employing a viscoelastic constitutive equation. It is found that the CY and PTT predictions are similar when the excitation frequency is low, but at medium and higher frequencies, the CY model fails to describe important phenomena that are predicted by the PTT model and observed in experimental studies found in the literature, such as the hysteresis of the force-displacement and force-velocity loops. Elastic effects are quantified by applying a decomposition of the damper force into elastic and viscous components, inspired from large amplitude oscillatory shear theory. The CY model also overestimates the damper force relative to the PTT model because it underpredicts the flow development length inside the piston-cylinder gap. It is thus concluded that (a) fluid elasticity must be accounted for and (b) theoretical approaches that rely on the assumption of one-dimensional flow in the piston-cylinder gap are of limited accuracy, even if they account for fluid viscoelasticity. The consequences of using lower-viscosity silicone oil are also briefly examined.

A Theoretical Study of Microwave Beam Absorption by a Rectenna

Science.gov (United States)

Ott, J. H.; Rice, J. S.; Thorn, D. C.

1981-01-01

The theoretical operational parameters for the workable satellite power system were examined. The system requirements for efficient transmission and reception of an environmentally benign microwave beam were determined.

Studies in theoretical particle physics

International Nuclear Information System (INIS)

Kaplan, D.B.

1991-01-01

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

[Habermas and Paulo Freire: theoretical referrals for the study on communication in nursing].

Science.gov (United States)

Larocca, Liliana Muller; Mazza, Verônica de Azevedo

2003-08-01

The present work has the objective of introducing the ideas of Jürgen Habermas and Paulo Freire about the dialogue as a fundamental human phenomenon, data on their trajectories of life, ideological approaches when locating the human being through history and their relevance as theoretical referrals for the study on communication in the process of the nurse's work.

Hartree-Fock-Bogoliubov model: a theoretical and numerical perspective

International Nuclear Information System (INIS)

Paul, S.

2012-01-01

This work is devoted to the theoretical and numerical study of Hartree-Fock-Bogoliubov (HFB) theory for attractive quantum systems, which is one of the main methods in nuclear physics. We first present the model and its main properties, and then explain how to get numerical solutions. We prove some convergence results, in particular for the simple fixed point algorithm (sometimes called Roothaan). We show that it converges, or oscillates between two states, none of them being a solution. This generalizes to the HFB case previous results of Cances and Le Bris for the simpler Hartree-Fock model in the repulsive case. Following these authors, we also propose a relaxed constraint algorithm for which convergence is guaranteed. In the last part of the thesis, we illustrate the behavior of these algorithms by some numerical experiments. We first consider a system where the particles only interact through the Newton potential. Our numerical results show that the pairing matrix never vanishes, a fact that has not yet been proved rigorously. We then study a very simplified model for protons and neutrons in a nucleus. (author)

A theoretical study on the influence of gas adsorption on interparticle forces in powders

NARCIS (Netherlands)

Cottaar, E.J.E.; Rietema, K.

1986-01-01

Using data from the literature and some additional experiments it is investigated whether the interparticle forces in general and more specifically the cohesion between particles are influenced by the physisorption of gases. In this otherwise theoretical study the force to be applied to a particle

Hotel Security Management : Case: Original Sokos Hotel Vaakuna Vaasa

OpenAIRE

Koskela, Jere

2016-01-01

This thesis studied hotel security management and examined one case hotel more closely on matters of security management. The case hotel in this research was Original Sokos Hotel Vaakuna Vaasa. The aim of the thesis was to find out how security aspects are managed and how they could be developed in the case hotel. This research was conducted to help the case hotel’s security supervisor to develop and improve security. The thesis consists of a theoretical framework and an empirical study. The ...

How Adults in Developmental Reading Courses Describe Their Educational Life Experiences: A Phenomenological Case Study Examining Whether Experiences Influence Reading Attitudes and Decision-Making Processes

Science.gov (United States)

Reece Armour, Ashley

2017-01-01

The purpose of this phenomenological case study is to explore the reading attitudes and decision-making skills of college freshmen enrolled in remedial language arts courses. The theoretical framework guiding this study is qualitative phenomenology explained by Baxter and Jack (2008). This specific type of research "provides tools for…

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

Modeling theoretical uncertainties in phenomenological analyses for particle physics

Energy Technology Data Exchange (ETDEWEB)

Charles, Jerome [CNRS, Aix-Marseille Univ, Universite de Toulon, CPT UMR 7332, Marseille Cedex 9 (France); Descotes-Genon, Sebastien [CNRS, Univ. Paris-Sud, Universite Paris-Saclay, Laboratoire de Physique Theorique (UMR 8627), Orsay Cedex (France); Niess, Valentin [CNRS/IN2P3, UMR 6533, Laboratoire de Physique Corpusculaire, Aubiere Cedex (France); Silva, Luiz Vale [CNRS, Univ. Paris-Sud, Universite Paris-Saclay, Laboratoire de Physique Theorique (UMR 8627), Orsay Cedex (France); Univ. Paris-Sud, CNRS/IN2P3, Universite Paris-Saclay, Groupe de Physique Theorique, Institut de Physique Nucleaire, Orsay Cedex (France); J. Stefan Institute, Jamova 39, P. O. Box 3000, Ljubljana (Slovenia)

2017-04-15

The determination of the fundamental parameters of the Standard Model (and its extensions) is often limited by the presence of statistical and theoretical uncertainties. We present several models for the latter uncertainties (random, nuisance, external) in the frequentist framework, and we derive the corresponding p values. In the case of the nuisance approach where theoretical uncertainties are modeled as biases, we highlight the important, but arbitrary, issue of the range of variation chosen for the bias parameters. We introduce the concept of adaptive p value, which is obtained by adjusting the range of variation for the bias according to the significance considered, and which allows us to tackle metrology and exclusion tests with a single and well-defined unified tool, which exhibits interesting frequentist properties. We discuss how the determination of fundamental parameters is impacted by the model chosen for theoretical uncertainties, illustrating several issues with examples from quark flavor physics. (orig.)

Case Study: Guidelines for Producing Videos to Accompany Flipped Cases

Science.gov (United States)

Prud'homme-Généreux, Annie; Schiller, Nancy A.; Wild, John H.; Herreid, Clyde Freeman

2017-01-01

Three years ago, the "National Center for Case Study Teaching in Science" (NCCSTS) was inspired to merge the case study and flipped classroom approaches. The resulting project aimed to create the materials required to teach a flipped course in introductory biology by assigning videos as homework and case studies in the classroom. Three…

Curriculum, Curriculum Development, Curriculum Studies? Problematising Theoretical Ambiguities in Doctoral Theses in the Education Field

Science.gov (United States)

du Preez, Petro; Simmonds, Shan

2014-01-01

Theoretical ambiguities in curriculum studies result in conceptual mayhem. Accordingly, they hinder the development of the complicated conversation on curriculum as a verb. This article aims to contribute to reconceptualizing curriculum studies as a dynamic social practice that aspires to thinking and acting with intelligences and sensitivity so…

Theoretical XANES Study of the Activated Nickel (t-Amylisocyanide) Molecule

International Nuclear Information System (INIS)

Glover, J. L.; Chantler, C. T.; Soldatov, A. V.; Smolentsev, G.; Feiters, M. C.

2007-01-01

XANES is one of the most powerful techniques for investigating the active centres of non-crystalline systems such as synthetic catalysts and enzymes. We have investigated XANES for an active species in the Ni-catalyzed polymerization of isocyanides, the activated Ni (t-amylisocyanide) complex, using two of the most popular theoretical approaches. This is a very large cluster for which it is extremely difficult to derive a converged solution using the Finite Difference Method. The cluster has been linked to important chemical developments for catalysts for isocyanide polymerization. Predicted XANES for the nano-cluster are compared with experimental data, providing an important test for different theoretical approaches. Developments of a finite element method gave excellent agreement with the experimental data, while simpler models were relatively unsuccessful

Theoretical studies of binaries in astrophysics

Science.gov (United States)

Dischler, Johann Sebastian

This thesis introduces and summarizes four papers dealing with computer simulations of astrophysical processes involving binaries. The first part gives the rational and theoretical background to these papers. In paper I and II a statistical approach to studying eclipsing binaries is described. By using population synthesis models for binaries the probabilities for eclipses are calculated for different luminosity classes of binaries. These are compared with Hipparcos data and they agree well if one uses a standard input distribution for the orbit sizes. If one uses a random pairing model, where both companions are independently picked from an IMF, one finds too feclipsing binaries by an order of magnitude. In paper III we investigate a possible scenario for the origin of the stars observed close to the centre of our galaxy, called S stars. We propose that a cluster falls radially cowards the central black hole. The binaries within the cluster can then, if they have small impact parameters, be broken up by the black hole's tidal held and one of the components of the binary will be captured by the black hole. Paper IV investigates how the onset of mass transfer in eccentric binaries depends on the eccentricity. To do this we have developed a new two-phase SPH scheme where very light particles are at tire outer edge of our simulated star. This enables us to get a much better resolution of the very small mass that is transferred in close binaries. Our simulations show that the minimum required distance between the stars to have mass transfer decreases with the eccentricity.

Theoretical study of the mechanism of formation of a chemical bond between two ions: A+ and B+. Application to CO++. Interpretation of N2O++ photo-dissociation mechanisms

International Nuclear Information System (INIS)

Levasseur, Nathalie

1989-01-01

This research thesis reports the theoretical study of the mechanism of formation of a chemical bond between two positively charged species, within the frame of the valence-bond theory and in the CO model case. The analysis in terms of orthogonal and non orthogonal orbitals leads to two very different interpretations, and allows potential curves of doubly charged diatomic ions to be simply explained, the generally evoked model to be put into question again, and a predictive model to be developed. The theoretical determination of N 2 O potential energy surfaces and of the first states of N 2 O ++ ( 3 Σ - , 1 Δ, 1 Σ + et 3 Π) allowed experimental results of N 2 O ++ photo-dissociation to be at least qualitatively understood and interpreted. Moreover, the study of electronic configurations involved in dissociation, showed that the model elaborated for a diatomic molecule is also valid for a triatomic system [fr

Game-Theoretic Comparison Approach for Intercontinental Container Transportation: A Case between China and Europe with the B&R Initiative

Directory of Open Access Journals (Sweden)

Xi Chen

2017-01-01

Full Text Available This paper develops a game-theoretic model to analyze the competition between two container freight transportation modes (shipping and railway using competitive game strategic interactions method, namely, deterrence, by taking account of the most cost-effective scale of the transportation capacity settings. The competition was set against the background of China’s Belt and Road (B&R Initiative as a new situation for intercontinental Sino-Europe container freight transportation. The behavior of each mode (modeled as a carrier, resp. is characterized by an optimization model with the objective of minimizing its cost by setting optimal basic freight rate and transportation deployment. A firm can use this method to compare the difference in the time value of the cargos and reduce the expense during the whole transportation process. Finally, the developed model is numerically evaluated by a case study of intercontinental transportation between Hefei (China and Hamburg (Germany. The results show that deterrence effects largely depend on the deterrence objective, and the differential in the cost of two transportation modes tends to be stable with higher values in the deterrence objective. In the new intercontinental circumstance, the mode of railway transportation provides a new way to transport the cargos between China and Europe.

Muscle dysmorphia symptomatology and extreme drive for muscularity in a 23-year-old woman: a case study.

Science.gov (United States)

Leone, James E

2009-05-01

We describe a 23-year-old woman with muscle dysmorphia symptomatology and extreme drive for muscularity. In addition to structured case study interviews, 3 questionnaires and a series of semistructured interview questions were administered for elaboration on key issues. The case studies allowed for triangulation of data garnered from the questionnaires. Responses revealed high scores for drive for muscularity, moderate scores for the Adonis complex, and high scores for symptoms of muscle dysmorphia. Muscle dysmorphia and drive for muscularity are more prevalent in men; however, unique cases such as this need to be further explored both empirically and theoretically. Cross-cultural references are needed to assess the overall impact of global social influences. Instruments measuring muscle dysmorphia need to be devised and validated for women as well as men. The strength and conditioning professional needs to be both aware and vigilant in helping people affected with psychosomatic disorders such as muscle dysmorphia or exercise addiction.

Experiences of using the Theoretical Domains Framework across diverse clinical environments: a qualitative study

Science.gov (United States)

Phillips, Cameron J; Marshall, Andrea P; Chaves, Nadia J; Jankelowitz, Stacey K; Lin, Ivan B; Loy, Clement T; Rees, Gwyneth; Sakzewski, Leanne; Thomas, Susie; To, The-Phung; Wilkinson, Shelley A; Michie, Susan

2015-01-01

Background The Theoretical Domains Framework (TDF) is an integrative framework developed from a synthesis of psychological theories as a vehicle to help apply theoretical approaches to interventions aimed at behavior change. Purpose This study explores experiences of TDF use by professionals from multiple disciplines across diverse clinical settings. Methods Mixed methods were used to examine experiences, attitudes, and perspectives of health professionals in using the TDF in health care implementation projects. Individual interviews were conducted with ten health care professionals from six disciplines who used the TDF in implementation projects. Deductive content and thematic analysis were used. Results Three main themes and associated subthemes were identified including: 1) reasons for use of the TDF (increased confidence, broader perspective, and theoretical underpinnings); 2) challenges using the TDF (time and resources, operationalization of the TDF) and; 3) future use of the TDF. Conclusion The TDF provided a useful, flexible framework for a diverse group of health professionals working across different clinical settings for the assessment of barriers and targeting resources to influence behavior change for implementation projects. The development of practical tools and training or support is likely to aid the utility of TDF. PMID:25834455

Experiences of using the Theoretical Domains Framework across diverse clinical environments: a qualitative study.

Science.gov (United States)

Phillips, Cameron J; Marshall, Andrea P; Chaves, Nadia J; Jankelowitz, Stacey K; Lin, Ivan B; Loy, Clement T; Rees, Gwyneth; Sakzewski, Leanne; Thomas, Susie; To, The-Phung; Wilkinson, Shelley A; Michie, Susan

2015-01-01

The Theoretical Domains Framework (TDF) is an integrative framework developed from a synthesis of psychological theories as a vehicle to help apply theoretical approaches to interventions aimed at behavior change. This study explores experiences of TDF use by professionals from multiple disciplines across diverse clinical settings. Mixed methods were used to examine experiences, attitudes, and perspectives of health professionals in using the TDF in health care implementation projects. Individual interviews were conducted with ten health care professionals from six disciplines who used the TDF in implementation projects. Deductive content and thematic analysis were used. Three main themes and associated subthemes were identified including: 1) reasons for use of the TDF (increased confidence, broader perspective, and theoretical underpinnings); 2) challenges using the TDF (time and resources, operationalization of the TDF) and; 3) future use of the TDF. The TDF provided a useful, flexible framework for a diverse group of health professionals working across different clinical settings for the assessment of barriers and targeting resources to influence behavior change for implementation projects. The development of practical tools and training or support is likely to aid the utility of TDF.

The theoretical study of the optical klystron free electron laser

International Nuclear Information System (INIS)

Yang Zhenhua

2001-01-01

The work of the theoretical study and numerical simulation of optical klystron free electron laser is supported by National 863 Research Development Program and National Science Foundation of China. The object of studying UV band free electron laser (FEL) is to understand the physical law of optical klystron FEL and to gain experience for design. A three-dimensional code OPFEL are made and it is approved that the code is correct completely. The magnetic field of the optical klystron, the energy modulation of the electron beam, the density modulation of the electron beam, spontaneous emission of the electron beam in optical klystron, the harmonic super-radiation of the electron beam, and the effects of the undulator magnetic field error on modulation of the electron beam energy are simulated. These results are useful for the future experiments

EXPLAINING THE AUDIT RISK AND ITS COMPONENTS: A COMPARATIVE CASE-STUDY BASED ON AUDIT REPORTS

Directory of Open Access Journals (Sweden)

ALINA VOICULESCU

2014-08-01

Full Text Available The players activating in the post-recession business environment have to and begin to be more and more prudent and attentive to any sign of human errors, uncertainty, lack of objectivity, attempt of fraud which may occur when financial statements are prepared, in their own case or in the case of their trade clients/suppliers, debtors, business partners, in general. Auditors thus became the mediators between the producers and the users of accountant information, using their high theoretical training, authority, competence and independence as pledge for the fairness of the financial statements and for the compliance with the Law. But even their reports are subject to uncertainty, therefore the author considered useful to approach in the current paper the issue of risk in financial audit, by use of a study-case of several audit reports, in order to explain and exemplify it and to highlight the difference between its components’ evaluation.

OUTSOURCING FAILURES IN SME’S: CASE STUDY APPROACH

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Kaja Prystupa

2015-06-01

Full Text Available Outsourcing, which is a popular business strategy among large companies, is also an attractive option for small entities. However, in order to bring expected results, outsourcing requires knowledge of potential risks and ability of managing them. Even large companies need to face various outsourcing challenges, however, at least they dispose richer resources than small organizations and their success is less dependent on single product delivery. Therefore the aim of the research was to examine the reasons of failure of outsourcing initiatives in SMEs. The authors followed the qualitative approach based on case study method. The obtained results brought contributions in both areas: theoretical as the issue of outsourcing initiatives in SMEs has been analysed to a limited extent; as well as practical because it brought important insight for managers by indicating risks of that they should be aware and properly prepared. The findings indicated the importance of: strategic planning on outsourcing initiative and the development and maintenance of close relations of outsourcing companies with its vendor.

Theoretical study of diaquamalonatozinc(II) single crystal for applications in non-linear optical devices

Science.gov (United States)

Chakraborty, Mitesh; Rai, Vineet Kumar

2017-12-01

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 the microscopic spin-Hamiltonian (MSH) theory and the coefficient of fractional parentage have been employed to investigate the dopant manganese(II) ion substitution in the diaquamalonatozinc(II) (DAMZ) single crystal. The magnetic parameters, viz. g-tensor and D-tensor, has been determined by using the ORCA program package developed by F Neese et al. The unrestricted Kohn-Sham orbitals-based Pederson-Khanna (PK) as the unperturbed wave function is observed to be the most suitable for the computational calculation of spin-orbit tensor (D^{SO}) of the axial ZFS parameter D. The effects of spin-spin dipolar couplings are taken into account. The unrestricted natural orbital (UNO) is used for the calculation of spin-spin dipolar contributions to the ZFS tensor. A comparative study of the quantum mechanical treatment of Pederson-Khanna (PK) with coupled perturbation (CP) is reported in the present study. The unrestricted Kohn-Sham-based natural orbital with Pederson-Khanna-type of perturbation approach validates the experimental results in the evaluation of ZFS parameters. The theoretical results are appropriate with the experimental ones and indicate the interstitial occupancy of Mn^{2+} ion in the host matrix.

Facilitating progress in health behaviour theory development and modification: the reasoned action approach as a case study.

Science.gov (United States)

Head, Katharine J; Noar, Seth M

2014-01-01

This paper explores the question: what are barriers to health behaviour theory development and modification, and what potential solutions can be proposed? Using the reasoned action approach (RAA) as a case study, four areas of theory development were examined: (1) the theoretical domain of a theory; (2) tension between generalisability and utility, (3) criteria for adding/removing variables in a theory, and (4) organisational tracking of theoretical developments and formal changes to theory. Based on a discussion of these four issues, recommendations for theory development are presented, including: (1) the theoretical domain for theories such as RAA should be clarified; (2) when there is tension between generalisability and utility, utility should be given preference given the applied nature of the health behaviour field; (3) variables should be formally removed/amended/added to a theory based on their performance across multiple studies and (4) organisations and researchers with a stake in particular health areas may be best suited for tracking the literature on behaviour-specific theories and making refinements to theory, based on a consensus approach. Overall, enhancing research in this area can provide important insights for more accurately understanding health behaviours and thus producing work that leads to more effective health behaviour change interventions.

Theoretical and Experimental Study of Plasmonic Polymer Solar Cells

DEFF Research Database (Denmark)

Mirsafaei, Mina; Adam, Jost; Madsen, Morten

The organic bulk hetero-junction solar cell has remarkable advantages such as low cost, mechanical flexibility and simple process techniques. Recently, low-band gap photoactive materials have obtained a significant attention due to their potential to absorb a wider range of the solar spectrum...... to attain higher power conversion efficiencies. Many low-band gap photoactive materials, however, still show a relatively low external quantum efficiency of less than 60% [1]. One possible approach to improve the device performance is to increase the light absorption in the active layer. This may, amongst...... other approaches, be achieved by using nano- or micro-structures that trap light at specific wavelengths [2], or by using the localized surface plasmon resonance effect of metal nanoparticles in the devices. In this work, we theoretically studied planar polymer solar cell based on finite-difference time...

Experimental and theoretical studies of buoyant-thermo capillary flow

International Nuclear Information System (INIS)

Favre, E.; Blumenfeld, L.; Soubbaramayer

1996-01-01

In the AVLIS process, uranium metal is evaporated using a high power electron gun. We have prior discussed the power balance equation in the electron beam evaporation process and pointed out, among the loss terms, the importance of the power loss due to the convective flow in the molten pool driven by buoyancy and thermo capillarity. An empirical formula has been derived from model experiments with cerium, to estimate the latter power loss and that formula can be used practically in engineering calculations. In order to complete the empirical approach, a more fundamental research program of theoretical and experimental studies have been carried out in Cea-France, with the objective of understanding the basic phenomena (heat transport, flow instabilities, turbulence, etc.) occurring in a convective flow in a liquid layer locally heated on its free surface

Equivalent uniform dose concept evaluated by theoretical dose volume histograms for thoracic irradiation.

Science.gov (United States)

Dumas, J L; Lorchel, F; Perrot, Y; Aletti, P; Noel, A; Wolf, D; Courvoisier, P; Bosset, J F

2007-03-01

The goal of our study was to quantify the limits of the EUD models for use in score functions in inverse planning software, and for clinical application. We focused on oesophagus cancer irradiation. Our evaluation was based on theoretical dose volume histograms (DVH), and we analyzed them using volumetric and linear quadratic EUD models, average and maximum dose concepts, the linear quadratic model and the differential area between each DVH. We evaluated our models using theoretical and more complex DVHs for the above regions of interest. We studied three types of DVH for the target volume: the first followed the ICRU dose homogeneity recommendations; the second was built out of the first requirements and the same average dose was built in for all cases; the third was truncated by a small dose hole. We also built theoretical DVHs for the organs at risk, in order to evaluate the limits of, and the ways to use both EUD(1) and EUD/LQ models, comparing them to the traditional ways of scoring a treatment plan. For each volume of interest we built theoretical treatment plans with differences in the fractionation. We concluded that both volumetric and linear quadratic EUDs should be used. Volumetric EUD(1) takes into account neither hot-cold spot compensation nor the differences in fractionation, but it is more sensitive to the increase of the irradiated volume. With linear quadratic EUD/LQ, a volumetric analysis of fractionation variation effort can be performed.

Opioid Prescribing After Curative-Intent Surgery: A Qualitative Study Using the Theoretical Domains Framework.

Science.gov (United States)

Lee, Jay S; Parashar, Vartika; Miller, Jacquelyn B; Bremmer, Samantha M; Vu, Joceline V; Waljee, Jennifer F; Dossett, Lesly A

2018-07-01

Excessive opioid prescribing is common after curative-intent surgery, but little is known about what factors influence prescribing behaviors among surgeons. To identify targets for intervention, we performed a qualitative study of opioid prescribing after curative-intent surgery using the Theoretical Domains Framework, a well-established implementation science method for identifying factors influencing healthcare provider behavior. Prior to data collection, we constructed a semi-structured interview guide to explore decision making for opioid prescribing. We then conducted interviews with surgical oncology providers at a single comprehensive cancer center. Interviews were recorded, transcribed verbatim, then independently coded by two investigators using the Theoretical Domains Framework to identify theoretical domains relevant to opioid prescribing. Relevant domains were then linked to behavior models to select targeted interventions likely to improve opioid prescribing. Twenty-one subjects were interviewed from November 2016 to May 2017, including attending surgeons, resident surgeons, physician assistants, and nurses. Five theoretical domains emerged as relevant to opioid prescribing: environmental context and resources; social influences; beliefs about consequences; social/professional role and identity; and goals. Using these domains, three interventions were identified as likely to change opioid prescribing behavior: (1) enablement (deploy nurses during preoperative visits to counsel patients on opioid use); (2) environmental restructuring (provide on-screen prompts with normative data on the quantity of opioid prescribed); and (3) education (provide prescribing guidelines). Key determinants of opioid prescribing behavior after curative-intent surgery include environmental and social factors. Interventions targeting these factors are likely to improve opioid prescribing in surgical oncology.

Theoretical Studies of Elementary Hydrocarbon Species and Their Reactions

Energy Technology Data Exchange (ETDEWEB)

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

2018-04-08

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

Case Study: A Picture Worth a Thousand Words? Making a Case for Video Case Studies

Science.gov (United States)

Pai, Aditi

2014-01-01

A picture, they say, is worth a thousand words. If a mere picture is worth a thousand words, how much more are "moving pictures" or videos worth? The author poses this not merely as a rhetorical question, but because she wishes to make a case for using videos in the traditional case study method. She recommends four main approaches of…

Theoretical vs. measured risk estimates for the external exposure to ionizing radiation pathway - a case study of a major industrial site

International Nuclear Information System (INIS)

Dundon, S.T.

1996-01-01

Two methods of estimating the risk to industrial receptors to ionizing radiation are presented here. The first method relies on the use of the U.S. Environmental Protection Agency (EPA) external exposure slope factor combined with default exposure parameters for industrial land uses. The second method employs measured exposure rate date and site-specific exposure durations combined with the BEIR V radiological risk coefficient to estimate occupational risk. The uncertainties in each method are described qualitatively. Site-specific information was available for the exposure duration and the exposure frequency as well as historic dosimetry information. Risk estimates were also generated for the current regulatory cleanup level (removal risks included) and for a no action scenario. The study showed that uncertainties for risks calculated using measured exposure rates and site-specific exposure parameters were much lower and defendable than using EPA slope factors combined with default exposure parameters. The findings call into question the use of a uniform cleanup standard for depleted uranium that does not account for site-specific land uses and relies on theoretical models rather than measured exposure rate information

Clinical and Morphological Studies on Spontaneous Cases of Pseudomonas aeruginosa Infections in Birds

Directory of Open Access Journals (Sweden)

I Dinev1, S Denev2* and G Beev2

2013-07-01

Full Text Available Clinical, pathoanatomical, histological, and bacteriological studies were performed on broiler chickens, growing broiler parents, and growing egg layers, in three different poultry farms, after an outbreak of Pseudomonas aeruginosa infections. The method of contamination of the birds was established. Several local and systemic clinico-morphological forms of spontaneous P. aeruginosa infections in various categories of stock birds were described: cases of P. aeruginosa infection resulting from injection of contaminated vaccines; case of P. aeruginosa infections through contaminated aerosol vaccine and cases of pododermatitis, periarthritis and arthritis in broiler chickens associated with P. aeruginosa infection. In different cases mortality range between 0.5 and 50%. The results showed that apart from embryonic mortality in hatcheries, and septicemic infections in newly hatched chickens, the pathogenicity of P. aeruginosa was associated with localized and systemic lesions in this category, as well as in young and growing birds. On one hand, these results have a theoretical significance, contributing for the confirmation and expansion of the wide array of clinico-morphological forms of P. aeruginosa infections in birds. On the other hand, the knowledge on these forms has a purely practical significance in the diagnostics of P. aeruginosa infections by poultry pathologists and veterinary practitioners.

Theoretical Studies of TE-Wave Propagation as a Diagnostic for Electron Cloud

International Nuclear Information System (INIS)

Penn, Gregory E.; Vay, Jean-Luc

2010-01-01

The propagation of TE waves is sensitive to the presence of an electron cloud primarily through phase shifts generated by the altered dielectric function, but can also lead to polarization changes and other effects, especially in the presence of magnetic fields. These effects are studied theoretically and also through simulations using WARP. Examples are shown related to CesrTA parameters, and used to observe different regimes of operation as well as to validate estimates of the phase shift.

Innovation Ecosystem of CNG Vehicles: A Case Study of Its Cultivation and Characteristics in Sichuan, China

Directory of Open Access Journals (Sweden)

Ling Ding

2017-12-01

Full Text Available Under the constraints of resources and environment, China is eager to cultivate a new industrial system with ecological characteristics in light of local circumstances. This paper selects the innovation ecosystem of Compressed Natural Gas (CNG vehicles in Sichuan, China as the objective of the case study to explore its cultivation and characteristics. The theoretical significance lies in three areas. Firstly, the cultivation path of the CNG vehicle innovation ecosystem is manifested. Secondly, the symbiotic process model among the communities within the CNG vehicle innovation ecosystem is found. Thirdly, the substitutive process model of the CNG vehicle innovation ecosystem is discovered, which reveals the substitutability among innovation ecosystems, the communities of similar products, and the enterprises of similar products. This paper is of theoretical, practical, and political significance for the development of a CNG vehicle innovation ecosystem in emerging markets in terms of regional energy security and emission reduction.

Unusual amnesia in a patient with VGKC-Ab limbic encephalitis: a case study.

Science.gov (United States)

Kartsounis, Luke D; de Silva, Rajith

2011-04-01

We describe the case of a patient with confirmed voltage-gated potassium channel antibody-associated encephalitis (VGKC-Ab). MRI studies revealed bilateral hyper-intensity in the hippocampi, with their volumes preserved. At presentation, the patient's anterograde and retrograde memory skills were found to be impaired and he showed fluctuation in his ability to recall familiar information. Following treatment with immunotherapy, his condition improved considerably and, in a series of follow up assessments, he performed satisfactorily (i.e., within the average range or above) on formal tests of memory, as well as on a range of other cognitive tests, including tests of executive function. By contrast, in the context of contemporaneous unstructured interviews, he showed a strong tendency to confabulate. We argue that the reported case broadens the phenomenology of VGKC-Ab limbic encephalitis and raises important theoretical questions about the aetiology of this patient's most unusual memory disorder. Copyright © 2010 Elsevier Srl. All rights reserved.

Promoting mental wellbeing: developing a theoretically and empirically sound complex intervention.

Science.gov (United States)

Millar, S L; Donnelly, M

2014-06-01

This paper describes the development of a complex intervention to promote mental wellbeing using the revised framework for developing and evaluating complex interventions produced by the UK Medical Research Council (UKMRC). Application of the first two phases of the framework is described--development and feasibility and piloting. The theoretical case and evidence base were examined analytically to explicate the theoretical and empirical foundations of the intervention. These findings informed the design of a 12-week mental wellbeing promotion programme providing early intervention for people showing signs of mental health difficulties. The programme is based on the theoretical constructs of self-efficacy, self-esteem, purpose in life, resilience and social support and comprises 10 steps. A mixed methods approach was used to conduct a feasibility study with community and voluntary sector service users and in primary care. A significant increase in mental wellbeing was observed following participation in the intervention. Qualitative data corroborated this finding and suggested that the intervention was feasible to deliver and acceptable to participants, facilitators and health professionals. The revised UKMRC framework can be successfully applied to the development of public health interventions. © The Author 2013. Published by Oxford University Press on behalf of Faculty of Public Health. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Advanced dust control techniques in cement industry electrostatic precipitator - a case study

International Nuclear Information System (INIS)

Khattak, Z.; Ahmad, J.

2011-01-01

The case study deal with the current day problem of pollution by industrial zones in Pakistan with emphasis on the cement Industry which has been proved to be the second revenue generating hub after textile sector of the Pakistan. A pilot study into the identification and available removal Techniques of particulates from the exhaust of a cement plant clinker cooler was carried out. The objective of this work was to study the performance of the each technique in detail in the removal of a particulate with a wide range of sizes, under different operational conditions and to compare the results for collection efficiency with predictions by available theoretical models. A brief and comprehensive discussion regarding design, construction and bottlenecks of each tool has been discussed to fully ascertain it's scope and usability. First part of the study identifies the various pollutants being emitted from the chimney of a specific cement plant in Pakistan and while last portion deals with the ways to curtail these pollutants. (author)

Theoretical relation between halo current-plasma energy displacement/deformation in EAST

Science.gov (United States)

Khan, Shahab Ud-Din; Khan, Salah Ud-Din; Song, Yuntao; Dalong, Chen

2018-04-01

In this paper, theoretical model for calculating halo current has been developed. This work attained novelty as no theoretical calculations for halo current has been reported so far. This is the first time to use theoretical approach. The research started by calculating points for plasma energy in terms of poloidal and toroidal magnetic field orientations. While calculating these points, it was extended to calculate halo current and to developed theoretical model. Two cases were considered for analyzing the plasma energy when flows down/upward to the diverter. Poloidal as well as toroidal movement of plasma energy was investigated and mathematical formulations were designed as well. Two conducting points with respect to (R, Z) were calculated for halo current calculations and derivations. However, at first, halo current was established on the outer plate in clockwise direction. The maximum generation of halo current was estimated to be about 0.4 times of the plasma current. A Matlab program has been developed to calculate halo current and plasma energy calculation points. The main objective of the research was to establish theoretical relation with experimental results so as to precautionary evaluate the plasma behavior in any Tokamak.

Exploring neoliberal social-reproduction: a working theoretical framework

OpenAIRE

Leyva, Rodolfo

2012-01-01

This article proposes a working theoretical framework to explain and explore processes of neoliberal social reproduction. I focus on the interplay between neoliberal political-economic discourses and practices, contemporary Western media-culture, and individual agency. I make the case that research concerned with the hegemony of neoliberalism and its effects on culture and subjectivity needs to take an interdisciplinary approach that rejects the longstanding structure and agency dichotomy. To...

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

International Nuclear Information System (INIS)

Labet, V.

2009-09-01

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

Photoelectron Angular Distributions of Transition Metal Dioxide Anions - a joint experimental and theoretical study

Science.gov (United States)

Iordanov, Ivan; Gunaratne, Dasitha; Harmon, Christopher; Sofo, Jorge; Castleman, A. W., Jr.

2012-02-01

Angular-resolved photoelectron spectroscopy (PES) studies of the MO2- (M=Ti, Zr, Hf, Co, Rh) clusters are presented for the first time along with theoretical calculations of their properties. We confirm previously reported non-angular PES results for the vertical detachment energies (VDE), vibrational energies and geometric structures of these clusters and further explore the effect of the 'lanthanide contraction' on the MO2- clusters by comparing the electronic spectra of 4d and 5d transition metal dioxides. Angular-resolved PES provides the angular momentum contributions to the HOMO of these clusters and we use theoretical calculations to examine the HOMO and compare to our experimental results. First-principles calculations are done using both density functional theory (DFT) and the coupled-cluster, singles, doubles and triples (CCSD(T)) methods.

Theoretical study of liquid droplet dispersion in a venturi scrubber.

Science.gov (United States)

Fathikalajahi, J; Talaie, M R; Taheri, M

1995-03-01

The droplet concentration distribution in an atomizing scrubber was calculated based on droplet eddy diffusion by a three-dimensional dispersion model. This model is also capable of predicting the liquid flowing on the wall. The theoretical distribution of droplet concentration agrees well with experimental data given by Viswanathan et al. for droplet concentration distribution in a venturi-type scrubber. The results obtained by the model show a non-uniform distribution of drops over the cross section of the scrubber, as noted by the experimental data. While the maximum of droplet concentration distribution may depend on many operating parameters of the scrubber, the results of this study show that the highest uniformity of drop distribution will be reached when penetration length is approximately equal to one-fourth of the depth of the scrubber. The results of this study can be applied to evaluate the removal efficiency of a venturi scrubber.

Assessing a Theoretical Model on EFL College Students

Science.gov (United States)

Chang, Yu-Ping

2011-01-01

This study aimed to (1) integrate relevant language learning models and theories, (2) construct a theoretical model of college students' English learning performance, and (3) assess the model fit between empirically observed data and the theoretical model proposed by the researchers of this study. Subjects of this study were 1,129 Taiwanese EFL…

Business model innovation : a case of the offshore lifting equipment supplier

OpenAIRE

Shlopak, Mikhail; Myhre, Richard; Hofinger Jünge, Gabriele; Kersten, Wolfgang; Blecker, Thorsten; Ringle, Christian M.

2017-01-01

The purpose of this paper is to present the background for and the process of development of an Internet of Things (IoT) business model (BM) for a Norwegian offshore lifting equipment supplier. The paper presents both challenges and new opportunities connected to the case company’s transition towards IoT, servicebased BM. The research methodology is a single case study research. The research approach involves four steps: theoretical discussion; a case study; analysis of the case study, and co...

Theoretical studies of turbulence and anomalous transport in toroidal confinement devices

International Nuclear Information System (INIS)

Terry, P.W.

1990-01-01

The research performed under this grant during the current year has focused on key issues with respect to turbulence and transport in toroidal confinement devices. This work includes theoretical and computational studies of electron thermal confinement which have concentrated on the role of sheared poloidal flow in suppressing turbulence and transport, trapped ion convective cell turbulence and microtearing turbulence; analytical studies of anomalous particle transport and pinch mechanisms, and comparison with experimental measurement; development of the theory of self-consistent radial transport of field-aligned momentum in the tokamak and RFP; and work on other topics (ion temperature gradient driven turbulence, RFP fluctuation theory, coherent structures). Progress and publications in these areas are briefly summarized in this report. 20 refs

Activity systems modeling as a theoretical lens for social exchange studies

Directory of Open Access Journals (Sweden)

Ernest Jones

2016-01-01

Full Text Available The social exchange perspective seeks to acknowledge, understand and predict the dynamics of social interactions. Empirical research involving social exchange constructs have grown to be highly technical including confirmatory factor analysis to assess construct distinctiveness and structural equation modeling to assess construct causality. Each study seemingly strives to assess how underlying social exchange theoretic constructs interrelate. Yet despite this methodological depth and resultant explanatory and predictive power, a significant number of studies report findings that, once synthesized, suggest an underlying persistent threat of conceptual or construct validity brought about by a search for epistemological parsimony. Further, it is argued that a methodological approach that embraces inherent complexity such as activity systems modeling facilitates the search for simplified models while not ignoring contextual factors.

Autism Between the PhD Student and the Promotor. A Case Study

Directory of Open Access Journals (Sweden)

Perkowski Maciej

2017-12-01

Full Text Available Contemporary societies struggle with the problem of education being inadequate to the reality. The crisis (and, consequently, the deficit of authorities is present in all levels of education. It seems that the classical vertical mechanism “student-master” should experience a renaissance. Instead of theoretical argumentation, it is worth learning about the case of a particular relationship – between a doctoral student who is a non-speaking autistic person and the promotor who tries to oppose it constructively. Both lawyers (as the cooperation is currently taking place in doctoral law studies apart from the preparation of the dissertation, are experimenting methodologically, entering the “student-master” relationship with mutual benefit. They are subject to ongoing verification in this area – both domestic and foreign.

Theoretical aspects of studies of oxide and semiconductor surfaces using low energy positrons

Science.gov (United States)

Fazleev, N. G.; Maddox, W. B.; Weiss, A. H.

2011-01-01

This paper presents the results of a theoretical study of positron surface and bulk states and annihilation characteristics of surface trapped positrons at the oxidized Cu(100) single crystal and at both As- and Ga-rich reconstructed GaAs(100) surfaces. The variations in atomic structure and chemical composition of the topmost layers of the surfaces associated with oxidation and reconstructions and the charge redistribution at the surfaces are found to affect localization and spatial extent of the positron surface-state wave functions. The computed positron binding energy, work function, and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the surfaces. Theoretical positron annihilation probabilities with relevant core electrons computed for the oxidized Cu(100) surface and the As- and Ga-rich reconstructed GaAs(100) surfaces are compared with experimental ones estimated from the positron annihilation induced Auger peak intensities measured from these surfaces.

Theoretical and experimental study of Chen chaotic system with notch filter feedback control

International Nuclear Information System (INIS)

Ming, Zhang Xiao; Jian-Hua, Peng; Ju-Fang, Chen

2010-01-01

Since the past two decades, the time delay feedback control method has attracted more and more attention in chaos control studies because of its simplicity and efficiency compared with other chaos control schemes. Recently, it has been proposed to suppress low-dimensional chaos with the notch filter feedback control method, which can be implemented in a laser system. In this work, we have analytically determined the controllable conditions for notch filter feedback controlling of Chen chaotic system in terms of the Hopf bifurcation theory. The conditions for notch filter feedback controlled Chen chaoitc system having a stable limit cycle solution are given. Meanwhile, we also analysed the Hopf bifurcation direction, which is very important for parameter settings in notch filter feedback control applications. Finally, we apply the notch filter feedback control methods to the electronic circuit experiments and numerical simulations based on the theoretical analysis. The controlling results of notch filter feedback control method well prove the feasibility and reliability of the theoretical analysis. (general)

Sound post production in advertising and in the film, case study of Studio Beep s.r.o.

OpenAIRE

Struhařová, Michaela

2012-01-01

Main topic of this thesis is description of sound post production in advertising and in the film film industry and making case study of company Studio Beep s.r.o. First aim of this thesis is describe as clearly as possible the theory of sound and sound post production in advertising and in film industry and also show specifics accompanying production of sound in each discipline. The theoretical part contains basic overview about history of sound, sound dramaturgy and about general principles ...

Single-phase and two phase bubbly flow in a T connection: theoretical and experimental study

International Nuclear Information System (INIS)

Hervieu, Eric

1988-01-01

The objective of this research thesis is to highlight the driving factors of the separation of phases of a bubbly flow in a T junction, and to develop a prediction model. In a first part, the author reports the rigorous formulation of equations averaged on the T volume. He shows that it's not possible to solve globally the problem with these equations. Then, he reports a bibliographical study on the modelling of a bubbly flow, and, based upon this study, highlights intrinsic characteristics of the flow, and explains its dynamic mechanisms. He reports the development of the theoretical model, and describes the experimental installation used to validate it. In the third part, he reports the study of the liquid-gas interaction, and presents the adopted approach: study of the behaviour of an isolated bubble within a single-phase flow. Experimentation is used to check theoretical predictions. Results are used to compute phase separation. The obtained results are again compared with experimental results to validate the global relevance of the model [fr

A field theoretic model for static friction

OpenAIRE

Mahyaeh, I.; Rouhani, S.

2013-01-01

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

Theoretical Aspects of Cross-border Integration-based Economic Cooperation

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Bilchak V.

2014-09-01

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

The highs and lows of theoretical interpretation in animal-metacognition research

Science.gov (United States)

Smith, J. David; Couchman, Justin J.; Beran, Michael J.

2012-01-01

Humans feel uncertain. They know when they do not know. These feelings and the responses to them ground the research literature on metacognition. It is a natural question whether animals share this cognitive capacity, and thus animal metacognition has become an influential research area within comparative psychology. Researchers have explored this question by testing many species using perception and memory paradigms. There is an emerging consensus that animals share functional parallels with humans’ conscious metacognition. Of course, this research area poses difficult issues of scientific inference. How firmly should we hold the line in insisting that animals’ performances are low-level and associative? How high should we set the bar for concluding that animals share metacognitive capacities with humans? This area offers a constructive case study for considering theoretical problems that often confront comparative psychologists. The authors present this case study and address diverse issues of scientific judgement and interpretation within comparative psychology. PMID:22492748

Theoretical study of in-plane response of magnetic field sensor to magnetic beads magnetized by the sensor self-field

DEFF Research Database (Denmark)

Hansen, Troels Borum Grave; Damsgaard, Christian Danvad; Dalslet, Bjarke Thomas

2010-01-01

We present a theoretical study of the spatially averaged in-plane magnetic field on square and rectangular magnetic field sensors from a single magnetic bead, a monolayer of magnetic beads, and a half-space filled with magnetic beads being magnetized by the magnetic self-field due to the applied...... bias current through the sensor. The analysis of the single bead response shows that beads always contribute positively to the average magnetic field as opposed to the case for an applied homogeneous magnetic field where the sign of the signal depends on the bead position. General expressions...... and analytical approximations are derived for the sensor response to beads as function of the bead distribution, the bias current, the geometry and size of the sensor, and the bead characteristics. Consequences for the sensor design are exemplified and it is described how the contribution from the self...

Mechanical properties of jennite: A theoretical and experimental study

Energy Technology Data Exchange (ETDEWEB)

Moon, Juhyuk, E-mail: juhyuk.moon@stonybrook.edu [Civil Engineering Program, Department of Mechanical Engineering, Stony Brook University, NY 11794 (United States); Yoon, Seyoon [School of Engineering, Kings College, University of Aberdeen, Aberdeen AB24 3UE (United Kingdom); Monteiro, Paulo J.M. [Department of Civil and Environmental Engineering, University of California, Berkeley, CA 94720 (United States)

2015-05-15

The objective of this study is to determine the mechanical properties of jennite. To date, several hypotheses have been proposed to predict the structural properties of jennite. For the first time as reported herein, the isothermal bulk modulus of jennite was measured experimentally. Synchrotron-based high-pressure x-ray diffraction experiments were performed to observe the variation of lattice parameters under pressure. First-principles calculations were applied to compare with the experimental results and predict additional structural properties. Accurately measured isothermal bulk modulus herein (K{sub 0} = 64(2) GPa) and the statistical assessment on experimental and theoretical results suggest reliable mechanical properties of shear and Young's modulus, Poisson's ratio, and elastic tensor coefficients. Determination of these fundamental structural properties is the first step toward greater understanding of calcium–silicate–hydrate, as well as provides a sound foundation for forthcoming atomic level simulations.

The parent-child-therapist alliance: A case study using a strategic approach.

Science.gov (United States)

Naidu, Thirusha; Behari, Sheethal

2010-06-01

In this paper we present a single case study of a clinical approach that addresses the needs of parents and their children in psychotherapy. The approach begins by addressing the child's and parent's concerns separately at first by establishing strong therapeutic alliances with each, and then proceeds to address the concerns of the parent-child dyad. The basic premise is that the therapeutic alliance is the central element to successful outcomes in psychotherapy. The nature of alliance-building and its associated methods and techniques have been extensively considered for adult therapy. However, there is considerably less written on the therapeutic alliance with children and adolescents in the context of family interventions. We briefly examine some theoretical dimensions and applications of the therapeutic alliance in psychotherapy with children/adolescents and their parents. A three-phase alliance-building psychotherapy strategy, founded on the idea that each therapeutic relationship warrants an effective working alliance, is proposed. The case of a single mother and her adolescent daughter is employed to illustrate the strategy.

Analysis of tutoring in Calculus and Physics: a case study in Engineering courses

Directory of Open Access Journals (Sweden)

Jeronimo Becker Flores

2017-05-01

Full Text Available In this article, we analyzed the Calculus and Physics’ tutoring developed by a Higher Education Institution (HEI. The research consists of a qualitative approach of a type of case study. We began from the analytical reading of a theoretical basis which was relevant to the theme and then, we performed interviews with the professors responsible for the monitoring. The material was analyzed in the light of the Discursive Textual Analysis (DTA. As main results, we indicated that, in spite of the commonalities, there is no integrated work between Calculus and Physics subjects. In addition, we aimed the need of a reconciled pedagogical role among teachers, scholarship students and common ones. We also considered the need of future studies that reinforce and increase the discussions developed here.

Theoretical studies in nuclear reaction and nuclear structure. Final report, January 1, 1975--June 30, 1976

International Nuclear Information System (INIS)

Banerjee, M.K.; Griffin, J.J.