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Sample records for theoretical analyses predict

  1. Using meta-analytic path analysis to test theoretical predictions in health behavior: An illustration based on meta-analyses of the theory of planned behavior

    OpenAIRE

    Hagger, Martin; Chan, Dervin K. C.; Protogerou, Cleo; Chatzisarantis, Nikos L. D.

    2016-01-01

    Objective Synthesizing research on social cognitive theories applied to health behavior is an important step in the development of an evidence base of psychological factors as targets for effective behavioral interventions. However, few meta-analyses of research on social cognitive theories in health contexts have conducted simultaneous tests of theoretically-stipulated pattern effects using path analysis. We argue that conducting path analyses of meta-analytic effects among constructs fr...

  2. A theoretical framework for analysing preschool teaching

    DEFF Research Database (Denmark)

    Chaiklin, Seth

    2014-01-01

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

  3. Using meta-analytic path analysis to test theoretical predictions in health behavior: An illustration based on meta-analyses of the theory of planned behavior.

    Science.gov (United States)

    Hagger, Martin S; Chan, Derwin K C; Protogerou, Cleo; Chatzisarantis, Nikos L D

    2016-08-01

    Synthesizing research on social cognitive theories applied to health behavior is an important step in the development of an evidence base of psychological factors as targets for effective behavioral interventions. However, few meta-analyses of research on social cognitive theories in health contexts have conducted simultaneous tests of theoretically-stipulated pattern effects using path analysis. We argue that conducting path analyses of meta-analytic effects among constructs from social cognitive theories is important to test nomological validity, account for mediation effects, and evaluate unique effects of theory constructs independent of past behavior. We illustrate our points by conducting new analyses of two meta-analyses of a popular theory applied to health behaviors, the theory of planned behavior. We conducted meta-analytic path analyses of the theory in two behavioral contexts (alcohol and dietary behaviors) using data from the primary studies included in the original meta-analyses augmented to include intercorrelations among constructs and relations with past behavior missing from the original analysis. Findings supported the nomological validity of the theory and its hypotheses for both behaviors, confirmed important model processes through mediation analysis, demonstrated the attenuating effect of past behavior on theory relations, and provided estimates of the unique effects of theory constructs independent of past behavior. Our analysis illustrates the importance of conducting a simultaneous test of theory-stipulated effects in meta-analyses of social cognitive theories applied to health behavior. We recommend researchers adopt this analytic procedure when synthesizing evidence across primary tests of social cognitive theories in health. Copyright © 2016 Elsevier Inc. All rights reserved.

  4. Theoretical and computational analyses of LNG evaporator

    Science.gov (United States)

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

    2017-04-01

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

  5. Validating experimental and theoretical Langmuir probe analyses

    Science.gov (United States)

    Pilling, L. S.; Carnegie, D. A.

    2007-08-01

    Analysis of Langmuir probe characteristics contains a paradox in that it is unknown a priori which theory is applicable before it is applied. Often theories are assumed to be correct when certain criteria are met although they may not validate the approach used. We have analysed the Langmuir probe data from cylindrical double and single probes acquired from a dc discharge plasma over a wide variety of conditions. This discharge contains a dual-temperature distribution and hence fitting a theoretically generated curve is impractical. To determine the densities, an examination of the current theories was necessary. For the conditions where the probe radius is the same order of magnitude as the Debye length, the gradient expected for orbital-motion limited (OML) is approximately the same as the radial-motion gradients. An analysis of the 'gradients' from the radial-motion theory was able to resolve the differences from the OML gradient value of two. The method was also able to determine whether radial or OML theories applied without knowledge of the electron temperature, or separation of the ion and electron contributions. Only the value of the space potential is necessary to determine the applicable theory.

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

    NARCIS (Netherlands)

    Keijzer, F.A.

    2005-01-01

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

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

    African Journals Online (AJOL)

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

  8. Theoretical predictions for alpha particle spectroscopic strengths

    International Nuclear Information System (INIS)

    Draayer, J.P.

    1975-01-01

    Multinucleon transfers induced in heavy-ion reactions of the type ( 6 Li,d) furnish a selective probe with which to study the interplay between rotational and clustering phenomena so characteristic of the structure of the light sd-shell nuclei. For these nuclei, theoretical predictions for inter-band as well as intra-band transfer strengths can be made using recently tabulated results for angular momentum dependent SU 3 inclusion R 3 relative spectroscopic strengths and angular momentum independent SU 6 inclusion SU 3 coefficients of fractional parentage. The pure SU 3 (oscillator)-SU 4 (supermultiplet) symmetry limit agrees well with results obtained using available eigenfunctions determined in large shell model calculations. In particular, the scalar nature of a transferred ''alpha''-cluster insures that the effect of spatial symmetry admixtures in the initial and final states of the target and residual nuclei are minimized. Sum rule quantities provide a measure of the probable effects of symmetry breaking. Strength variations within a band are expected; transfers to core excited states are often favored. Results extracted from exact finite range DWBA analyses of ( 6 Li,d) data on 16 , 18 O, 20 , 21 , 22 Ne, 24 , 25 Mg show some anomalies in our understanding of the structure and/or reaction mechanisms. (18 figures) (U.S.)

  9. Towards a theoretical framework for analysing organisational processes

    DEFF Research Database (Denmark)

    Rocha, Robson Silva

    2003-01-01

    In this paper, I discuss how a theoretical framework can be build to analyse socialprocesses of transformation, making the link between macro and micro processes, inwhich this dichotomy can be overcome. The aim of this theoretical framework is toaccount for the transformation in societal...... characteristics and changes in actors' strategiesat micro level, in a way that links macro changes and micro processes - the cognitivestructures of the individual and social structures of the society. In order to build this framework, I draw from the figuration sociology of Norbert Elias, the praxeologia of...

  10. Comparison between theoretical predictions and tracking

    Energy Technology Data Exchange (ETDEWEB)

    Ruggiero, A.G.

    1985-01-01

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

  11. Comparison between theoretical predictions and tracking

    International Nuclear Information System (INIS)

    Ruggiero, A.G.

    1985-01-01

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

  12. Theoretical analyses of the refractive implications of transepithelial PRK ablations.

    Science.gov (United States)

    Arba Mosquera, Samuel; Awwad, Shady T

    2013-07-01

    To analyse the refractive implications of single-step, transepithelial photorefractive keratectomy (TransPRK) ablations. A simulation for quantifying the refractive implications of TransPRK ablations has been developed. The simulation includes a simple modelling of corneal epithelial profiles, epithelial ablation profiles as well as refractive ablation profiles, and allows the analytical quantification of the refractive implications of TransPRK in terms of wasted tissue, achieved optical zone (OZ) and induced refractive error. Wasted tissue occurs whenever the actual corneal epithelial profile is thinner than the applied epithelial ablation profile, achieved OZ is reduced whenever the actual corneal epithelial profile is thicker than the applied epithelial ablation profile and additional refractive errors are induced whenever the actual difference centre-to-periphery in the corneal epithelial profile deviates from the difference in the applied epithelial ablation profile. The refractive implications of TransPRK ablations can be quantified using simple theoretical simulations. These implications can be wasted tissue (∼14 µm, if the corneal epithelial profile is thinner than the ablated one), reduced OZ (if the corneal epithelial profile is thicker than ablated one, very severe for low corrections) and additional refractive errors (∼0.66 D, if the centre-to-periphery progression of the corneal epithelial profile deviates from the progression of the ablated one). When TransPRK profiles are applied to normal, not previously treated, non-pathologic corneas, no specific refractive implications associated to the transepithelial profile can be anticipated; TransPRK would provide refractive outcomes equal to those of standard PRK. Adjustments for the planned OZ and, in the event of retreatments, for the target sphere can be easily derived.

  13. A theoretical model for analysing gender bias in medicine

    Directory of Open Access Journals (Sweden)

    Johansson Eva E

    2009-08-01

    Full Text Available Abstract During the last decades research has reported unmotivated differences in the treatment of women and men in various areas of clinical and academic medicine. There is an ongoing discussion on how to avoid such gender bias. We developed a three-step-theoretical model to understand how gender bias in medicine can occur and be understood. In this paper we present the model and discuss its usefulness in the efforts to avoid gender bias. In the model gender bias is analysed in relation to assumptions concerning difference/sameness and equity/inequity between women and men. Our model illustrates that gender bias in medicine can arise from assuming sameness and/or equity between women and men when there are genuine differences to consider in biology and disease, as well as in life conditions and experiences. However, gender bias can also arise from assuming differences when there are none, when and if dichotomous stereotypes about women and men are understood as valid. This conceptual thinking can be useful for discussing and avoiding gender bias in clinical work, medical education, career opportunities and documents such as research programs and health care policies. Too meet the various forms of gender bias, different facts and measures are needed. Knowledge about biological differences between women and men will not reduce bias caused by gendered stereotypes or by unawareness of health problems and discrimination associated with gender inequity. Such bias reflects unawareness of gendered attitudes and will not change by facts only. We suggest consciousness-rising activities and continuous reflections on gender attitudes among students, teachers, researchers and decision-makers.

  14. A theoretical model for analysing gender bias in medicine.

    Science.gov (United States)

    Risberg, Gunilla; Johansson, Eva E; Hamberg, Katarina

    2009-08-03

    During the last decades research has reported unmotivated differences in the treatment of women and men in various areas of clinical and academic medicine. There is an ongoing discussion on how to avoid such gender bias. We developed a three-step-theoretical model to understand how gender bias in medicine can occur and be understood. In this paper we present the model and discuss its usefulness in the efforts to avoid gender bias. In the model gender bias is analysed in relation to assumptions concerning difference/sameness and equity/inequity between women and men. Our model illustrates that gender bias in medicine can arise from assuming sameness and/or equity between women and men when there are genuine differences to consider in biology and disease, as well as in life conditions and experiences. However, gender bias can also arise from assuming differences when there are none, when and if dichotomous stereotypes about women and men are understood as valid. This conceptual thinking can be useful for discussing and avoiding gender bias in clinical work, medical education, career opportunities and documents such as research programs and health care policies. Too meet the various forms of gender bias, different facts and measures are needed. Knowledge about biological differences between women and men will not reduce bias caused by gendered stereotypes or by unawareness of health problems and discrimination associated with gender inequity. Such bias reflects unawareness of gendered attitudes and will not change by facts only. We suggest consciousness-rising activities and continuous reflections on gender attitudes among students, teachers, researchers and decision-makers.

  15. 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.)

  16. Theoretical modeling and experimental analyses of laminated wood composite poles

    Science.gov (United States)

    Cheng Piao; Todd F. Shupe; Vijaya Gopu; Chung Y. Hse

    2005-01-01

    Wood laminated composite poles consist of trapezoid-shaped wood strips bonded with synthetic resin. The thick-walled hollow poles had adequate strength and stiffness properties and were a promising substitute for solid wood poles. It was necessary to develop theoretical models to facilitate the manufacture and future installation and maintenance of this novel...

  17. Theoretical Constructs that Predict Women's Exercise

    OpenAIRE

    Whiteley, Jessica A.

    1998-01-01

    Although research has examined the determinants of physical activity, this research has focused primarily on men and few efforts have been made to explain the interrelationships between commonly used predictors of physical activity. Descriptive data and regression analyses were conducted with 193 female students, faculty, staff and community members of a southwestern Virginia university town. Variables that were entered into the regression included age, body mass index, exercise knowledge, se...

  18. Theoretical Prediction of the Forming Limit Band

    International Nuclear Information System (INIS)

    Banabic, D.; Paraianu, L.; Vos, M.; Jurco, P.

    2007-01-01

    Forming Limit Band (FLB) is a very useful tool to improve the sheet metal forming simulation robustness. Until now, the study of the FLB was only experimental. This paper presents the first attempt to model the FLB. The authors have established an original method for predicting the two margins of the limit band. The method was illustrated on the AA6111-T43 aluminum alloy. A good agreement with the experiments has been obtained

  19. Theoretical Prediction of the Forming Limit Band

    Science.gov (United States)

    Banabic, D.; Vos, M.; Paraianu, L.; Jurco, P.

    2007-04-01

    Forming Limit Band (FLB) is a very useful tool to improve the sheet metal forming simulation robustness. Until now, the study of the FLB was only experimental. This paper presents the first attempt to model the FLB. The authors have established an original method for predicting the two margins of the limit band. The method was illustrated on the AA6111-T43 aluminum alloy. A good agreement with the experiments has been obtained.

  20. Theoretical bases analysis of scientific prediction on marketing principles

    OpenAIRE

    A.S. Rosohata

    2012-01-01

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

  1. Prediction and Theoretical Investigation of the Morphology of ...

    African Journals Online (AJOL)

    Key Laboratory of Food Nutrition and Safety (Tianjin University of Science and ... Keywords: Erythromycin dihydrate, Morphology prediction, Theoretical ... For atomic charge assignments and .... interactions involved in its attachment energy, in.

  2. Historical Consciousness in Youth. Theoretical and Exemplary Empirical Analyses

    Directory of Open Access Journals (Sweden)

    Carlos Kölbl

    2001-09-01

    justified and to reflect this is strongly developed in the young persons we analysed. Their thinking proves to be specifically "modern" also in other respects. In addition to the description of the historical knowledge in content and the historical interests of the young people, this finding is described in detail. Finally it is discussed to which degree the central finding can be applied against the widespread lamentation of an alleged poor historical consciousness of pupils. URN: urn:nbn:de:0114-fqs010397

  3. Analysing News for Stock Market Prediction

    Science.gov (United States)

    Ramalingam, V. V.; Pandian, A.; Dwivedi, shivam; Bhatt, Jigar P.

    2018-04-01

    Stock market means the aggregation of all sellers and buyers of stocks representing their ownership claims on the business. To be completely absolute about the investment on these stocks, proper knowledge about them as well as their pricing, for both present and future is very essential. Large amount of data is collected and parsed to obtain this essential information regarding the fluctuations in the stock market. This data can be any news or public opinions in general. Recently, many methods have been used, especially big unstructured data methods to predict the stock market values. We introduce another method of focusing on deriving the best statistical learning model for predicting the future values. The data set used is very large unstructured data collected from an online social platform, commonly known as Quindl. The data from this platform is then linked to a csv fie and cleaned to obtain the essential information for stock market prediction. The method consists of carrying out the NLP (Natural Language Processing) of the data and then making it easier for the system to understand, finds and identifies the correlation in between this data and the stock market fluctuations. The model is implemented using Python Programming Language throughout the entire project to obtain flexibility and convenience of the system.

  4. A Game Theoretic Approach to Cyber Attack Prediction

    Energy Technology Data Exchange (ETDEWEB)

    Peng Liu

    2005-11-28

    The area investigated by this project is cyber attack prediction. With a focus on correlation-based prediction, current attack prediction methodologies overlook the strategic nature of cyber attack-defense scenarios. As a result, current cyber attack prediction methodologies are very limited in predicting strategic behaviors of attackers in enforcing nontrivial cyber attacks such as DDoS attacks, and may result in low accuracy in correlation-based predictions. This project develops a game theoretic framework for cyber attack prediction, where an automatic game-theory-based attack prediction method is proposed. Being able to quantitatively predict the likelihood of (sequences of) attack actions, our attack prediction methodology can predict fine-grained strategic behaviors of attackers and may greatly improve the accuracy of correlation-based prediction. To our best knowledge, this project develops the first comprehensive framework for incentive-based modeling and inference of attack intent, objectives, and strategies; and this project develops the first method that can predict fine-grained strategic behaviors of attackers. The significance of this research and the benefit to the public can be demonstrated to certain extent by (a) the severe threat of cyber attacks to the critical infrastructures of the nation, including many infrastructures overseen by the Department of Energy, (b) the importance of cyber security to critical infrastructure protection, and (c) the importance of cyber attack prediction to achieving cyber security.

  5. Using a Theoretical Framework of Institutional Culture to Analyse an Institutional Strategy Document

    Science.gov (United States)

    Jacobs, Anthea Hydi Maxine

    2016-01-01

    This paper builds on a conceptual analysis of institutional culture in higher education. A theoretical framework was proposed to analyse institutional documents of two higher education institutions in the Western Cape, for the period 2002 to 2012 (Jacobs 2012). The elements of this theoretical framework are "shared values and beliefs",…

  6. A theoretical model for predicting neutron fluxes for cyclic Neutron ...

    African Journals Online (AJOL)

    A theoretical model has been developed for prediction of thermal neutron fluxes required for cyclic irradiations of a sample to obtain the same activity previously used for the detection of any radionuclide of interest. The model is suitable for radiotracer production or for long-lived neutron activation products where the ...

  7. Theoretical and experimental stress analyses of ORNL thin-shell cylinder-to-cylinder model 3

    International Nuclear Information System (INIS)

    Gwaltney, R.C.; Bolt, S.E.; Corum, J.M.; Bryson, J.W.

    1975-06-01

    The third in a series of four thin-shell cylinder-to-cylinder models was tested, and the experimentally determined elastic stress distributions were compared with theoretical predictions obtained from a thin-shell finite-element analysis. The models are idealized thin-shell structures consisting of two circular cylindrical shells that intersect at right angles. There are no transitions, reinforcements, or fillets in the junction region. This series of model tests serves two basic purposes: the experimental data provide design information directly applicable to nozzles in cylindrical vessels; and the idealized models provide test results for use in developing and evaluating theoretical analyses applicable to nozzles in cylindrical vessels and to thin piping tees. The cylinder of model 3 had a 10 in. OD and the nozzle had a 1.29 in. OD, giving a d 0 /D 0 ratio of 0.129. The OD/thickness ratios for the cylinder and the nozzle were 50 and 7.68 respectively. Thirteen separate loading cases were analyzed. In each, one end of the cylinder was rigidly held. In addition to an internal pressure loading, three mutually perpendicular force components and three mutually perpendicular moment components were individually applied at the free end of the cylinder and at the end of the nozzle. The experimental stress distributions for all the loadings were obtained using 158 three-gage strain rosettes located on the inner and outer surfaces. The loading cases were also analyzed theoretically using a finite-element shell analysis developed at the University of California, Berkeley. The analysis used flat-plate elements and considered five degrees of freedom per node in the final assembled equations. The comparisons between theory and experiment show reasonably good agreement for this model. (U.S.)

  8. Theoretical and experimental stress analyses of ORNL thin-shell cylinder-to-cylinder model 4

    International Nuclear Information System (INIS)

    Gwaltney, R.C.; Bolt, S.E.; Bryson, J.W.

    1975-06-01

    The last in a series of four thin-shell cylinder-to-cylinder models was tested, and the experimentally determined elastic stress distributions were compared with theoretical predictions obtained from a thin-shell finite-element analysis. The models in the series are idealized thin-shell structures consisting of two circular cylindrical shells that intersect at right angles. There are no transitions, reinforcements, or fillets in the junction region. This series of model tests serves two basic purposes: (1) the experimental data provide design information directly applicable to nozzles in cylindrical vessels, and (2) the idealized models provide test results for use in developing and evaluating theoretical analyses applicable to nozzles in cylindrical vessels and to thin piping tees. The cylinder of model 4 had an outside diameter of 10 in., and the nozzle had an outside diameter of 1.29 in., giving a d 0 /D 0 ratio of 0.129. The OD/thickness ratios were 50 and 20.2 for the cylinder and nozzle respectively. Thirteen separate loading cases were analyzed. For each loading condition one end of the cylinder was rigidly held. In addition to an internal pressure loading, three mutually perpendicular force components and three mutually perpendicular moment components were individually applied at the free end of the cylinder and at the end of the nozzle. The experimental stress distributions for each of the 13 loadings were obtained using 157 three-gage strain rosettes located on the inner and outer surfaces. Each of the 13 loading cases was also analyzed theoretically using a finite-element shell analysis developed at the University of California, Berkeley. The analysis used flat-plate elements and considered five degrees of freedom per node in the final assembled equations. The comparisons between theory and experiment show reasonably good agreement for this model. (U.S.)

  9. Theoretical predictions for vehicular headways and their clusters

    Science.gov (United States)

    Krbálek, Milan

    2013-11-01

    This paper presents a derivation of analytical predictions for steady-state distributions of netto time gaps among clusters of vehicles moving inside a traffic stream. Using the thermodynamic socio-physical traffic model with short-ranged repulsion between particles (originally introduced in Krbálek and Helbing 2004 Physica A 333 370) we first derive the time-clearance distribution in the model and confront it with relation to the theoretical criteria for the acceptability of analytical clearance distributions. Consecutively, the approximating statistical distributions for the so-called time multi-clearances are calculated by means of the theory of functional convolutions. Moreover, all the theoretical surmises used during the above-mentioned calculations are evaluated by the statistical analysis of traffic data. The mathematical predictions acquired in this paper are thoroughly compared with relevant empirical quantities and discussed in the context of traffic theory.

  10. Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation

    KAUST Repository

    Hur, Kahyun

    2010-01-01

    In this work, we present a theoretical framework that unifies polymer field theory and density functional theory in order to efficiently predict ordered nanostructure formation of systems having considerable complexity in terms of molecular structures and interactions. We validate our approach by comparing its predictions with previous simulation results for model systems. We illustrate the flexibility of our approach by applying it to hybrid systems composed of block copolymers and ligand coated nanoparticles. We expect that our approach will enable the treatment of multicomponent self-assembly with a level of molecular complexity that approaches experimental systems. © 2010 American Institute of Physics.

  11. Large Hadron Collider (LHC) phenomenology, operational challenges and theoretical predictions

    CERN Document Server

    Gilles, Abelin R

    2013-01-01

    The Large Hadron Collider (LHC) is the highest-energy particle collider ever constructed and is considered "one of the great engineering milestones of mankind." It was built by the European Organization for Nuclear Research (CERN) from 1998 to 2008, with the aim of allowing physicists to test the predictions of different theories of particle physics and high-energy physics, and particularly prove or disprove the existence of the theorized Higgs boson and of the large family of new particles predicted by supersymmetric theories. In this book, the authors study the phenomenology, operational challenges and theoretical predictions of LHC. Topics discussed include neutral and charged black hole remnants at the LHC; the modified statistics approach for the thermodynamical model of multiparticle production; and astroparticle physics and cosmology in the LHC era.

  12. A comparison of SAR ATR performance with information theoretic predictions

    Science.gov (United States)

    Blacknell, David

    2003-09-01

    Performance assessment of automatic target detection and recognition algorithms for SAR systems (or indeed any other sensors) is essential if the military utility of the system / algorithm mix is to be quantified. This is a relatively straightforward task if extensive trials data from an existing system is used. However, a crucial requirement is to assess the potential performance of novel systems as a guide to procurement decisions. This task is no longer straightforward since a hypothetical system cannot provide experimental trials data. QinetiQ has previously developed a theoretical technique for classification algorithm performance assessment based on information theory. The purpose of the study presented here has been to validate this approach. To this end, experimental SAR imagery of targets has been collected using the QinetiQ Enhanced Surveillance Radar to allow algorithm performance assessments as a number of parameters are varied. In particular, performance comparisons can be made for (i) resolutions up to 0.1m, (ii) single channel versus polarimetric (iii) targets in the open versus targets in scrubland and (iv) use versus non-use of camouflage. The change in performance as these parameters are varied has been quantified from the experimental imagery whilst the information theoretic approach has been used to predict the expected variation of performance with parameter value. A comparison of these measured and predicted assessments has revealed the strengths and weaknesses of the theoretical technique as will be discussed in the paper.

  13. Analysing Theoretical Frameworks of Moral Education through Lakatos's Philosophy of Science

    Science.gov (United States)

    Han, Hyemin

    2014-01-01

    The structure of studies of moral education is basically interdisciplinary; it includes moral philosophy, psychology, and educational research. This article systematically analyses the structure of studies of moral educational from the vantage points of philosophy of science. Among the various theoretical frameworks in the field of philosophy of…

  14. Analysing Everyday Online Political Talk in China: Theoretical and Methodological Reflections

    NARCIS (Netherlands)

    Wright, Scott; Graham, Todd; Sun, Yu; Yang Wang, Wilfred; Luo, Xiantian; Carson, Andrea

    2016-01-01

    This article explores the theoretical and methodological challenges of collecting and analysing everyday online political talk in China, and our approach to defining and coding such talk. In so doing, the article is designed to encourage further research in this area, taking forward a new agenda for

  15. A Theoretical Model for the Prediction of Siphon Breaking Phenomenon

    International Nuclear Information System (INIS)

    Bae, Youngmin; Kim, Young-In; Seo, Jae-Kwang; Kim, Keung Koo; Yoon, Juhyeon

    2014-01-01

    A siphon phenomenon or siphoning often refers to the movement of liquid from a higher elevation to a lower one through a tube in an inverted U shape (whose top is typically located above the liquid surface) under the action of gravity, and has been used in a variety of reallife applications such as a toilet bowl and a Greedy cup. However, liquid drainage due to siphoning sometimes needs to be prevented. For example, a siphon breaker, which is designed to limit the siphon effect by allowing the gas entrainment into a siphon line, is installed in order to maintain the pool water level above the reactor core when a loss of coolant accident (LOCA) occurs in an open-pool type research reactor. In this paper, we develop a theoretical model to predict the siphon breaking phenomenon. In this paper, a theoretical model to predict the siphon breaking phenomenon is developed. It is shown that the present model predicts well the fundamental features of the siphon breaking phenomenon and undershooting height

  16. A Theoretical Model for the Prediction of Siphon Breaking Phenomenon

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Youngmin; Kim, Young-In; Seo, Jae-Kwang; Kim, Keung Koo; Yoon, Juhyeon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-10-15

    A siphon phenomenon or siphoning often refers to the movement of liquid from a higher elevation to a lower one through a tube in an inverted U shape (whose top is typically located above the liquid surface) under the action of gravity, and has been used in a variety of reallife applications such as a toilet bowl and a Greedy cup. However, liquid drainage due to siphoning sometimes needs to be prevented. For example, a siphon breaker, which is designed to limit the siphon effect by allowing the gas entrainment into a siphon line, is installed in order to maintain the pool water level above the reactor core when a loss of coolant accident (LOCA) occurs in an open-pool type research reactor. In this paper, we develop a theoretical model to predict the siphon breaking phenomenon. In this paper, a theoretical model to predict the siphon breaking phenomenon is developed. It is shown that the present model predicts well the fundamental features of the siphon breaking phenomenon and undershooting height.

  17. Distinguishing prognostic and predictive biomarkers: An information theoretic approach.

    Science.gov (United States)

    Sechidis, Konstantinos; Papangelou, Konstantinos; Metcalfe, Paul D; Svensson, David; Weatherall, James; Brown, Gavin

    2018-05-02

    The identification of biomarkers to support decision-making is central to personalised medicine, in both clinical and research scenarios. The challenge can be seen in two halves: identifying predictive markers, which guide the development/use of tailored therapies; and identifying prognostic markers, which guide other aspects of care and clinical trial planning, i.e. prognostic markers can be considered as covariates for stratification. Mistakenly assuming a biomarker to be predictive, when it is in fact largely prognostic (and vice-versa) is highly undesirable, and can result in financial, ethical and personal consequences. We present a framework for data-driven ranking of biomarkers on their prognostic/predictive strength, using a novel information theoretic method. This approach provides a natural algebra to discuss and quantify the individual predictive and prognostic strength, in a self-consistent mathematical framework. Our contribution is a novel procedure, INFO+, which naturally distinguishes the prognostic vs predictive role of each biomarker and handles higher order interactions. In a comprehensive empirical evaluation INFO+ outperforms more complex methods, most notably when noise factors dominate, and biomarkers are likely to be falsely identified as predictive, when in fact they are just strongly prognostic. Furthermore, we show that our methods can be 1-3 orders of magnitude faster than competitors, making it useful for biomarker discovery in 'big data' scenarios. Finally, we apply our methods to identify predictive biomarkers on two real clinical trials, and introduce a new graphical representation that provides greater insight into the prognostic and predictive strength of each biomarker. R implementations of the suggested methods are available at https://github.com/sechidis. konstantinos.sechidis@manchester.ac.uk. Supplementary data are available at Bioinformatics online.

  18. Experimental tests and theoretical predictions for electroweak processes

    International Nuclear Information System (INIS)

    Martinelli, G.; Istituto Nazionale di Fisica Nucleare, Frascati

    1987-01-01

    In sect. 2, I will briefly recall the basic ingredients of the standard model and I will define the relevant parameters. Low-energy processes which enter into the determination of neutral-current couplings to fermions (in particular sin 2 θ W ) are presented in sect. 3. Radiative corrections to these processes are discussed in sect. 4. In sect. 5 the measurements of the W and Z 0 masses at the SPS collider are described and compared with theoretical predictions including one-loop radiative corrections. (orig./BBO)

  19. Theoretical model for cavitation erosion prediction in centrifugal pump impeller

    International Nuclear Information System (INIS)

    Rayan, M.A.; Mahgob, M.M.; Mostafa, N.H.

    1990-01-01

    Cavitation is known to have great effects on pump hydraulic and mechanical characteristics. These effects are mainly described by deviation in pump performance, increasing vibration and noise level as well as erosion of blade and casing materials. In the present work, only the hydrodynamic aspect of cavitation was considered. The efforts were directed toward the study of cavitation inception, cavity mechanics and material erosion in order to clarify the macrohydrodynamic aspects of cavitation erosive wear in real machines. As a result of this study, it was found that cavitation damage can be predicted from model data. The obtained theoretical results show good agreement with the experimental results obtained in this investigation and with results of some other investigations. The application of the findings of this work will help the design engineer in predicting the erosion rate, according to the different operating conditions. (author)

  20. Theoretical prediction method of subcooled flow boiling CHF

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-12-31

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

  1. Theoretical prediction method of subcooled flow boiling CHF

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-31

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

  2. Analysing the differences between theoretical and implemented supply chain strategies in selected organisations

    OpenAIRE

    Danie J. Nel; Johanna A. Badenhorst-Weiss

    2011-01-01

    Organisations can use supply chain strategies to gain a competitive advantage for the supply chain. A competitive advantage can be achieved by means of low cost or by means of differentiation. However, organisations have to implement the correct supply chain strategy. Returns on investment can be compromised if organisations implement an incorrect supply chain strategy. The objective of the article is to analyse the differences between theoretically implied and implemented supply chain strate...

  3. Aircraft noise prediction program theoretical manual: Rotorcraft System Noise Prediction System (ROTONET), part 4

    Science.gov (United States)

    Weir, Donald S.; Jumper, Stephen J.; Burley, Casey L.; Golub, Robert A.

    1995-01-01

    This document describes the theoretical methods used in the rotorcraft noise prediction system (ROTONET), which is a part of the NASA Aircraft Noise Prediction Program (ANOPP). The ANOPP code consists of an executive, database manager, and prediction modules for jet engine, propeller, and rotor noise. The ROTONET subsystem contains modules for the prediction of rotor airloads and performance with momentum theory and prescribed wake aerodynamics, rotor tone noise with compact chordwise and full-surface solutions to the Ffowcs-Williams-Hawkings equations, semiempirical airfoil broadband noise, and turbulence ingestion broadband noise. Flight dynamics, atmosphere propagation, and noise metric calculations are covered in NASA TM-83199, Parts 1, 2, and 3.

  4. Physics of mind: Experimental confirmations of theoretical predictions.

    Science.gov (United States)

    Schoeller, Félix; Perlovsky, Leonid; Arseniev, Dmitry

    2018-02-02

    What is common among Newtonian mechanics, statistical physics, thermodynamics, quantum physics, the theory of relativity, astrophysics and the theory of superstrings? All these areas of physics have in common a methodology, which is discussed in the first few lines of the review. Is a physics of the mind possible? Is it possible to describe how a mind adapts in real time to changes in the physical world through a theory based on a few basic laws? From perception and elementary cognition to emotions and abstract ideas allowing high-level cognition and executive functioning, at nearly all levels of study, the mind shows variability and uncertainties. Is it possible to turn psychology and neuroscience into so-called "hard" sciences? This review discusses several established first principles for the description of mind and their mathematical formulations. A mathematical model of mind is derived from these principles. This model includes mechanisms of instincts, emotions, behavior, cognition, concepts, language, intuitions, and imagination. We clarify fundamental notions such as the opposition between the conscious and the unconscious, the knowledge instinct and aesthetic emotions, as well as humans' universal abilities for symbols and meaning. In particular, the review discusses in length evolutionary and cognitive functions of aesthetic emotions and musical emotions. Several theoretical predictions are derived from the model, some of which have been experimentally confirmed. These empirical results are summarized and we introduce new theoretical developments. Several unsolved theoretical problems are proposed, as well as new experimental challenges for future research. Copyright © 2017. Published by Elsevier B.V.

  5. Delayed hydride cracking: theoretical model testing to predict cracking velocity

    International Nuclear Information System (INIS)

    Mieza, Juan I.; Vigna, Gustavo L.; Domizzi, Gladys

    2009-01-01

    Pressure tubes from Candu nuclear reactors as any other component manufactured with Zr alloys are prone to delayed hydride cracking. That is why it is important to be able to predict the cracking velocity during the component lifetime from parameters easy to be measured, such as: hydrogen concentration, mechanical and microstructural properties. Two of the theoretical models reported in literature to calculate the DHC velocity were chosen and combined, and using the appropriate variables allowed a comparison with experimental results of samples from Zr-2.5 Nb tubes with different mechanical and structural properties. In addition, velocities measured by other authors in irradiated materials could be reproduced using the model described above. (author)

  6. Theoretical prediction of the energy stability of graphene nanoblisters

    Science.gov (United States)

    Glukhova, O. E.; Slepchenkov, M. M.; Barkov, P. V.

    2018-04-01

    The paper presents the results of a theoretical prediction of the energy stability of graphene nanoblisters with various geometrical parameters. As a criterion for the evaluation of the stability of investigated carbon objects we propose to consider the value of local stress of the nanoblister atomic grid. Numerical evaluation of stresses experienced by atoms of the graphene blister framework was carried out by means of an original method for calculation of local stresses that is based on energy approach. Atomistic models of graphene nanoblisters corresponding to the natural experiment data were built for the first time in this work. New physical regularities of the influence of topology on the thermodynamic stability of nanoblisters were established as a result of the analysis of the numerical experiment data. We built the distribution of local stresses for graphene blister structures, whose atomic grid contains a variety of structural defects. We have shown how the concentration and location of defects affect the picture of the distribution of the maximum stresses experienced by the atoms of the nanoblisters.

  7. Neonatal Sleep-Wake Analyses Predict 18-month Neurodevelopmental Outcomes.

    Science.gov (United States)

    Shellhaas, Renée A; Burns, Joseph W; Hassan, Fauziya; Carlson, Martha D; Barks, John D E; Chervin, Ronald D

    2017-11-01

    The neurological examination of critically ill neonates is largely limited to reflexive behavior. The exam often ignores sleep-wake physiology that may reflect brain integrity and influence long-term outcomes. We assessed whether polysomnography and concurrent cerebral near-infrared spectroscopy (NIRS) might improve prediction of 18-month neurodevelopmental outcomes. Term newborns with suspected seizures underwent standardized neurologic examinations to generate Thompson scores and had 12-hour bedside polysomnography with concurrent cerebral NIRS. For each infant, the distribution of sleep-wake stages and electroencephalogram delta power were computed. NIRS-derived fractional tissue oxygen extraction (FTOE) was calculated across sleep-wake stages. At age 18-22 months, surviving participants were evaluated with Bayley Scales of Infant Development (Bayley-III), 3rd edition. Twenty-nine participants completed Bayley-III. Increased newborn time in quiet sleep predicted worse 18-month cognitive and motor scores (robust regression models, adjusted r2 = 0.22, p = .007, and 0.27, .004, respectively). Decreased 0.5-2 Hz electroencephalograph (EEG) power during quiet sleep predicted worse 18-month language and motor scores (adjusted r2 = 0.25, p = .0005, and 0.33, .001, respectively). Predictive values remained significant after adjustment for neonatal Thompson scores or exposure to phenobarbital. Similarly, an attenuated difference in FTOE, between neonatal wakefulness and quiet sleep, predicted worse 18-month cognitive, language, and motor scores in adjusted analyses (each p sleep-as quantified by increased time in quiet sleep, lower electroencephalogram delta power during that stage, and muted differences in FTOE between quiet sleep and wakefulness-may improve prediction of adverse long-term outcomes for newborns with neurological dysfunction. © Sleep Research Society 2017. Published by Oxford University Press on behalf of the Sleep Research Society. All rights reserved

  8. Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Jia [ORNL; Huang, Jingsong [ORNL; Sumpter, Bobby G [ORNL; Kent, Paul R [ORNL; Xie, Yu [ORNL; Terrones Maldonado, Humberto [ORNL; Smith, Sean C [ORNL

    2014-01-01

    Two-dimensional (2D) nanocrystals of CdX (X = S, Se, Te) typically grown by colloidal synthesis are coated with organic ligands. Recent experimental work on ZnSe showed that the organic ligands can be removed at elevated temperature, giving a freestanding 2D sheet of ZnSe. In this theoretical work, freestanding single- to few-layer sheets of CdX, each possessing a pseudo honeycomb lattice, are considered by cutting along all possible lattice planes of the bulk zinc blende (ZB) and wurtzite (WZ) phases. Using density functional theory, we have systematically studied their geometric structures, energetics, and electronic properties. A strong surface distortion is found to occur for all of the layered sheets, and yet all of the pseudo honeycomb lattices are preserved, giving unique types of surface corrugations and different electronic properties. The energetics, in combination with phonon mode calculations and molecular dynamics simulations, indicate that the syntheses of these freestanding 2D sheets could be selective, with the single- to few-layer WZ110, WZ100, and ZB110 sheets being favored. Through the GW approximation, it is found that all single-layer sheets have large band gaps falling into the ultraviolet range, while thicker sheets in general have reduced band gaps in the visible and ultraviolet range. On the basis of the present work and the experimental studies on freestanding double-layer sheets of ZnSe, we envision that the freestanding 2D layered sheets of CdX predicted herein are potential synthesis targets, which may offer tunable band gaps depending on their structural features including surface corrugations, stacking motifs, and number of layers.

  9. Analysing Buyers' and Sellers' Strategic Interactions in Marketplaces: An Evolutionary Game Theoretic Approach

    Science.gov (United States)

    Vytelingum, Perukrishnen; Cliff, Dave; Jennings, Nicholas R.

    We develop a new model to analyse the strategic behaviour of buyers and sellers in market mechanisms. In particular, we wish to understand how the different strategies they adopt affect their economic efficiency in the market and to understand the impact of these choices on the overall efficiency of the marketplace. To this end, we adopt a two-population evolutionary game theoretic approach, where we consider how the behaviours of both buyers and sellers evolve in marketplaces. In so doing, we address the shortcomings of the previous state-of-the-art analytical model that assumes that buyers and sellers have to adopt the same mixed strategy in the market. Finally, we apply our model in one of the most common market mechanisms, the Continuous Double Auction, and demonstrate how it allows us to provide new insights into the strategic interactions of such trading agents.

  10. 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.

  11. Theoretical and experimental stress analyses of ORNL thin-shell cylinder-to-cylinder model 2

    International Nuclear Information System (INIS)

    Gwaltney, R.C.; Bolt, S.E.; Bryson, J.W.

    1975-10-01

    Model 2 in a series of four thin-shell cylinder-to-cylinder models was tested, and the experimentally determined elastic stress distributions were compared with theoretical predictions obtained from a thin-shell finite-element analysis. Both the cylinder and the nozzle of model 2 had outside diameters of 10 in., giving a d 0 /D 0 ratio of 1.0, and both had outside diameter/thickness ratios of 100. Sixteen separate loading cases in which one end of the cylinder was rigidly held were analyzed. An internal pressure loading, three mutually perpendicular force components, and three mutually perpendicular moment components were individually applied at the free end of the cylinder and at the end of the nozzle. In addition to these 13 loadings, 3 additional loads were applied to the nozzle (in-plane bending moment, out-of-plane bending moment, and axial force) with the free end of the cylinder restrained. The experimental stress distributions for each of the 16 loadings were obtained using 152 three-gage strain rosettes located on the inner and outer surfaces. All the 16 loading cases were also analyzed theoretically using a finite-element shell analysis. The analysis used flat-plate elements and considered five degrees of freedom per node in the final assembled equations. The comparisons between theory and experiment show reasonably good general agreement, and it is felt that the analysis would be satisfactory for most engineering purposes. (auth)

  12. Theoretical prediction of thermal conductivity for thermal protection systems

    International Nuclear Information System (INIS)

    Gori, F.; Corasaniti, S.; Worek, W.M.; Minkowycz, W.J.

    2012-01-01

    The present work is aimed to evaluate the effective thermal conductivity of an ablative composite material in the state of virgin material and in three paths of degradation. The composite material is undergoing ablation with formation of void pores or char and void pores. The one dimensional effective thermal conductivity is evaluated theoretically by the solution of heat conduction under two assumptions, i.e. parallel isotherms and parallel heat fluxes. The paper presents the theoretical model applied to an elementary cubic cell of the composite material which is made of two crossed fibres and a matrix. A numerical simulation is carried out to compare the numerical results with the theoretical ones for different values of the filler volume fraction. - Highlights: ► Theoretical models of the thermal conductivity of an ablative composite. ► Composite material is made of two crossed fibres and a matrix. ► Three mechanisms of degradation are investigated. ► One dimensional thermal conductivity is evaluated by the heat conduction equation. ► Numerical simulations to be compared with the theoretical models.

  13. Ab-initio theoretical predictions of structural properties of semiconductors

    International Nuclear Information System (INIS)

    Rodriguez, C.O.; Peltzer y Blanca, E.L.; Cappannini, O.M.

    1983-01-01

    Calculations of the total energies of Si, GaP and C together with related structural properties are presented. The results show good agreement with experimental values (differences of less than 6%). They also agree with other recent theoretical results. Calculations for Si and GaP have already been reported and are given here as a reference. (L.C.) [pt

  14. Predictive power of theoretical modelling of the nuclear mean field: examples of improving predictive capacities

    Science.gov (United States)

    Dedes, I.; Dudek, J.

    2018-03-01

    We examine the effects of the parametric correlations on the predictive capacities of the theoretical modelling keeping in mind the nuclear structure applications. The main purpose of this work is to illustrate the method of establishing the presence and determining the form of parametric correlations within a model as well as an algorithm of elimination by substitution (see text) of parametric correlations. We examine the effects of the elimination of the parametric correlations on the stabilisation of the model predictions further and further away from the fitting zone. It follows that the choice of the physics case and the selection of the associated model are of secondary importance in this case. Under these circumstances we give priority to the relative simplicity of the underlying mathematical algorithm, provided the model is realistic. Following such criteria, we focus specifically on an important but relatively simple case of doubly magic spherical nuclei. To profit from the algorithmic simplicity we chose working with the phenomenological spherically symmetric Woods–Saxon mean-field. We employ two variants of the underlying Hamiltonian, the traditional one involving both the central and the spin orbit potential in the Woods–Saxon form and the more advanced version with the self-consistent density-dependent spin–orbit interaction. We compare the effects of eliminating of various types of correlations and discuss the improvement of the quality of predictions (‘predictive power’) under realistic parameter adjustment conditions.

  15. Experimental and theoretical analyses of package-on-package structure under three-point bending loading

    International Nuclear Information System (INIS)

    Jia Su; Wang Xi-Shu; Ren Huai-Hui

    2012-01-01

    High density packaging is developing toward miniaturization and integration, which causes many difficulties in designing, manufacturing, and reliability testing. Package-on-Package (PoP) is a promising three-dimensional high-density packaging method that integrates a chip scale package (CSP) in the top package and a fine-pitch ball grid array (FBGA) in the bottom package. In this paper, in-situ scanning electron microscopy (SEM) observation is carried out to detect the deformation and damage of the PoP structure under three-point bending loading. The results indicate that the cracks occur in the die of the top package, then cause the crack deflection and bridging in the die attaching layer. Furthermore, the mechanical principles are used to analyse the cracking process of the PoP structure based on the multi-layer laminating hypothesis and the theoretical analysis results are found to be in good agreement with the experimental results. (condensed matter: structural, mechanical, and thermal properties)

  16. Energy and exergy analyses of Photovoltaic/Thermal flat transpired collectors: Experimental and theoretical study

    International Nuclear Information System (INIS)

    Gholampour, Maysam; Ameri, Mehran

    2016-01-01

    Highlights: • A Photovoltaic/Thermal flat transpired collector was theoretically and experimentally studied. • Performance of PV/Thermal flat transpired plate was evaluated using equivalent thermal, first, and second law efficiencies. • According to the actual exergy gain, a critical radiation level was defined and its effect was investigated. • As an appropriate tool, equivalent thermal efficiency was used to find optimum suction velocity and PV coverage percent. - Abstract: PV/Thermal flat transpired plate is a kind of air-based hybrid Photovoltaic/Thermal (PV/T) system concurrently producing both thermal and electrical energy. In order to develop a predictive model, validate, and investigate the PV/Thermal flat transpired plate capabilities, a prototype was fabricated and tested under outdoor conditions at Shahid Bahonar University of Kerman in Kerman, Iran. In order to develop a mathematical model, correlations for Nusselt numbers for PV panel and transpired plate were derived using CFD technique. Good agreement was obtained between measured and simulated values, with the maximum relative root mean square percent deviation (RMSE) being 9.13% and minimum correlation coefficient (R-squared) 0.92. Based on the critical radiation level defined in terms of the actual exergy gain, it was found that with proper fan and MPPT devices, there is no concern about the critical radiation level. To provide a guideline for designers, using equivalent thermal efficiency as an appropriate tool, optimum values for suction velocity and PV coverage percent under different conditions were obtained.

  17. The First Galaxies Theoretical Predictions and Observational Clues

    CERN Document Server

    Mobasher, Bahram; Bromm, Volker

    2013-01-01

    New observations of the period between the cosmic recombination and the end of reionization are posing intriguing questions about where the first generations of stars were formed, how the first galaxies were assembled, whether these galaxies have low redshift counterparts, and what role the early galaxies played in the reionization process. Combining the new observational data with theoretical models can shed new light on open issues regarding the star formation process, its role in the reionization of the Universe, and the metal enrichment in galaxies at those early epochs. This volume brings together leading experts in the field to discuss our current level of understanding and what may come in the near future as our observational as well as theoretical tools improve. The book confronts the theory of how the first stars, black holes, and galaxies formed with current and planned observations. This synthesis is very timely, just ahead of the establishment of major new facilities, such as the James Webb Space ...

  18. Theoretical predictions for glass flow into an evacuated canister

    International Nuclear Information System (INIS)

    Routt, K.R.; Crow, K.R.

    1983-01-01

    Radioactive waste currently stored at the Savannah River Plant in liquid form is to be immobilized by incorporating it into a borosilicate glass. The glass melter for this process will consist of a refractory lined, steel vessel operated at a glass temperature of 1150 0 C. At the end of a two-year projected melter lifetime, the glass inside the melter is to be drained prior to disposition of the melter vessel. One proposed technique for accomplishing this drainage is by sucking the glass into an evacuated canister. The theoretical bases for design of an evacuated canister for draining a glass melter have been developed and tested. The theoretical equations governing transient and steady-state flow were substantiated with both a silicone glass simulant and molten glass

  19. Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation

    KAUST Repository

    Hur, Kahyun; Hennig, Richard G.; Escobedo, Fernando A.; Wiesner, Ulrich

    2010-01-01

    structures and interactions. We validate our approach by comparing its predictions with previous simulation results for model systems. We illustrate the flexibility of our approach by applying it to hybrid systems composed of block copolymers and ligand

  20. Prediction of flare activity of stellar aggregates. I. Theoretical part

    International Nuclear Information System (INIS)

    Mnatsakanyan, M.A.; Mirzoyan, A.L.

    1989-01-01

    The problem is posed of predicting the number n k (t) of flare stars that have exhibited precisely k flares by the time t on the basis of data on these quantities known during the total time T of observations of the aggregate. The problem posed by Ambartsumyan of determining the distribution function f(ν) of the true frequency of stellar flares from known chronology of these data is equivalent to the limiting form of their formulation - prediction in the future over an infinitely long time. An exact analytic solution of the problem obtained without any assumption about the function f(ν) is given. It permits prediction of the steady flare activity of the aggregate into both the future and the (known) past. It follows from this solution that prediction into the future is in principle impossible to times that exceed the doubled time 2T of the available observations (this means that the problem of determining of the function f(ν) cannot be solved). Moreover, because of the unavoidable fluctuations in the observational data n k (T), such prediction is limited to even shorter times, and these are shorter the larger the value of k. Prediction into the past and into the future on the basis of the data n k (T) at the present time and its possible errors due to small fluctuations in these data are illustrated for the examples of the Pleiades and the Orion aggregate

  1. Theoretical models to predict the mechanical behavior of thick composite tubes

    Directory of Open Access Journals (Sweden)

    Volnei Tita

    2012-02-01

    Full Text Available This paper shows theoretical models (analytical formulations to predict the mechanical behavior of thick composite tubes and how some parameters can influence this behavior. Thus, firstly, it was developed the analytical formulations for a pressurized tube made of composite material with a single thick ply and only one lamination angle. For this case, the stress distribution and the displacement fields are investigated as function of different lamination angles and reinforcement volume fractions. The results obtained by the theoretical model are physic consistent and coherent with the literature information. After that, the previous formulations are extended in order to predict the mechanical behavior of a thick laminated tube. Both analytical formulations are implemented as a computational tool via Matlab code. The results obtained by the computational tool are compared to the finite element analyses, and the stress distribution is considered coherent. Moreover, the engineering computational tool is used to perform failure analysis, using different types of failure criteria, which identifies the damaged ply and the mode of failure.

  2. Theoretical prediction and impact of fundamental electric dipole moments

    International Nuclear Information System (INIS)

    Ellis, Sebastian A.R.; Kane, Gordon L.

    2016-01-01

    The predicted Standard Model (SM) electric dipole moments (EDMs) of electrons and quarks are tiny, providing an important window to observe new physics. Theories beyond the SM typically allow relatively large EDMs. The EDMs depend on the relative phases of terms in the effective Lagrangian of the extended theory, which are generally unknown. Underlying theories, such as string/M-theories compactified to four dimensions, could predict the phases and thus EDMs in the resulting supersymmetric (SUSY) theory. Earlier one of us, with collaborators, made such a prediction and found, unexpectedly, that the phases were predicted to be zero at tree level in the theory at the unification or string scale ∼O(10 16 GeV). Electroweak (EW) scale EDMs still arise via running from the high scale, and depend only on the SM Yukawa couplings that also give the CKM phase. Here we extend the earlier work by studying the dependence of the low scale EDMs on the constrained but not fully known fundamental Yukawa couplings. The dominant contribution is from two loop diagrams and is not sensitive to the choice of Yukawa texture. The electron EDM should not be found to be larger than about 5×10 −30 e cm, and the neutron EDM should not be larger than about 5×10 −29 e cm. These values are quite a bit smaller than the reported predictions from Split SUSY and typical effective theories, but much larger than the Standard Model prediction. Also, since models with random phases typically give much larger EDMs, it is a significant testable prediction of compactified M-theory that the EDMs should not be above these upper limits. The actual EDMs can be below the limits, so once they are measured they could provide new insight into the fundamental Yukawa couplings of leptons and quarks. We comment also on the role of strong CP violation. EDMs probe fundamental physics near the Planck scale.

  3. Theoretical prediction and impact of fundamental electric dipole moments

    Energy Technology Data Exchange (ETDEWEB)

    Ellis, Sebastian A.R.; Kane, Gordon L. [Michigan Center for Theoretical Physics (MCTP),Department of Physics, University of Michigan,Ann Arbor, MI 48109 (United States)

    2016-01-13

    The predicted Standard Model (SM) electric dipole moments (EDMs) of electrons and quarks are tiny, providing an important window to observe new physics. Theories beyond the SM typically allow relatively large EDMs. The EDMs depend on the relative phases of terms in the effective Lagrangian of the extended theory, which are generally unknown. Underlying theories, such as string/M-theories compactified to four dimensions, could predict the phases and thus EDMs in the resulting supersymmetric (SUSY) theory. Earlier one of us, with collaborators, made such a prediction and found, unexpectedly, that the phases were predicted to be zero at tree level in the theory at the unification or string scale ∼O(10{sup 16} GeV). Electroweak (EW) scale EDMs still arise via running from the high scale, and depend only on the SM Yukawa couplings that also give the CKM phase. Here we extend the earlier work by studying the dependence of the low scale EDMs on the constrained but not fully known fundamental Yukawa couplings. The dominant contribution is from two loop diagrams and is not sensitive to the choice of Yukawa texture. The electron EDM should not be found to be larger than about 5×10{sup −30}e cm, and the neutron EDM should not be larger than about 5×10{sup −29}e cm. These values are quite a bit smaller than the reported predictions from Split SUSY and typical effective theories, but much larger than the Standard Model prediction. Also, since models with random phases typically give much larger EDMs, it is a significant testable prediction of compactified M-theory that the EDMs should not be above these upper limits. The actual EDMs can be below the limits, so once they are measured they could provide new insight into the fundamental Yukawa couplings of leptons and quarks. We comment also on the role of strong CP violation. EDMs probe fundamental physics near the Planck scale.

  4. Theoretical prediction of a rotating magnon wave packet in ferromagnets.

    Science.gov (United States)

    Matsumoto, Ryo; Murakami, Shuichi

    2011-05-13

    We theoretically show that the magnon wave packet has a rotational motion in two ways: a self-rotation and a motion along the boundary of the sample (edge current). They are similar to the cyclotron motion of electrons, but unlike electrons the magnons have no charge and the rotation is not due to the Lorentz force. These rotational motions are caused by the Berry phase in momentum space from the magnon band structure. Furthermore, the rotational motion of the magnon gives an additional correction term to the magnon Hall effect. We also discuss the Berry curvature effect in the classical limit of long-wavelength magnetostatic spin waves having macroscopic coherence length.

  5. Theoretical description and predictions of the properties of superheavy nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Sobiczewski, A [Department of Theoretical Physics, Andrzej Soltan Institute for Nuclear Studies (Poland)

    2009-12-31

    Theoretical descriptions of superheavy atomic nuclei are shortly reviewed and illustrated by their results. Such properties of these nuclei as their shapes, masses, fission barriers, decay modes, decay energies, half-lives, are discussed. Special attention is given to the shell structure of the nuclei, due to which they exist. The role of the physical studies of the superheavy nuclei for the chemical research on the superheavy elements and, more generally, the relationship between these two kinds of investigation is underlined. This stresses the importance of close cooperation between physicists and chemists, experimentalists and theoreticians, in these studies.

  6. Theoretical predictions for charm and bottom production at the LHC

    CERN Document Server

    Cacciari, Matteo; Houdeau, Nicolas; Mangano, Michelangelo L; Nason, Paolo; Ridolfi, Giovanni

    2012-01-01

    We present predictions for a variety of single-inclusive observables that stem from the production of charm and bottom quark pairs at the 7 TeV LHC. They are obtained within the FONLL semi-analytical framework, and with two "Monte Carlo + NLO" approaches, MC@NLO and POWHEG. Results are given for final states and acceptance cuts that are as close as possible to those used by experimental collaborations and, where feasible, are compared to LHC data.

  7. Theoretical predictions of diffusion from Brownian motion in superstrong polymers

    International Nuclear Information System (INIS)

    Dowell, F.

    1991-01-01

    This paper presents a summary of unique highly nonlinear static and dynamic theories for chain molecules (actually, for almost any kind of organic molecule), including the first superstrong polymers. These theories have been used to predict and explain (1) the physical self-assembly (self-ordering) of specific kinds of molecules into liquid crystalline (LC) phases (i.e., partially ordered phases) and (2) the diffusion of these molecules in various LC phases and the isotropic (I) liquid phase

  8. Theoretical predictions of the lateral spreading of implanted ions

    International Nuclear Information System (INIS)

    Ashworth, D.G.; Oven, R.

    1986-01-01

    The theoretical model and computer program (AAMPITS-3D) of Ashworth and co-workers for the calculation of three-dimensional distributions of implanted ions in multi-element amorphous targets are extended to show that the lateral rest distribution is gaussian in a form with a lateral standard deviation (lateral-spread function) which is a function of depth beneath the target surface. A method is given whereby this function may be accurately determined from a knowledge of the projected range and chord range rest distribution functions. Examples of the lateral-spread function are given for boron, phosphorus and arsenic ions implanted into silicon and a detailed description is given of how the lateral-spread function may be used in conjunction with the projected range rest distribution function to provide a fully three-dimensional rest distribution of ions implanted into amorphous targets. Examples of normalised single ion isodensity contours computed from AMPITS-3D are compared with those obtained using the previous assumption of a lateral standard deviation which was independent of distance beneath the target surface. (author)

  9. The z~4 Lyman Break Galaxies: Colors and Theoretical Predictions

    Science.gov (United States)

    Idzi, Rafal; Somerville, Rachel; Papovich, Casey; Ferguson, Henry C.; Giavalisco, Mauro; Kretchmer, Claudia; Lotz, Jennifer

    2004-01-01

    We investigate several fundamental properties of z~4 Lyman break galaxies by comparing observations with the predictions of a semianalytic model based on the cold dark matter theory of hierarchical structure formation. We use a sample of B435-dropouts from the Great Observatories Origins Deep Survey and complement the Advanced Camera for Surveys optical B435, V606, i775, and z850 data with the Very Large Telescope Infrared Spectrometer and Array Camera J, H, and Ks observations. We extract B435-dropouts from our semianalytic mock catalog using the same color criteria and magnitude limits that were applied to the observed sample. We find that the i775-Ks colors of the model-derived and observed B435-dropouts are in good agreement. However, we find that the i775-z850 colors differ significantly, indicating perhaps that either too little dust or an incorrect extinction curve has been used. Motivated by the reasonably good agreement between the model and observed data, we present predictions for the stellar masses, star formation rates, and ages for the z~4 Lyman break sample. We find that according to our model, the color selection criteria used to select our z~4 sample surveys 67% of all galaxies at this epoch down to z850Universities for Research in Astronomy (AURA), Inc., under NASA contract NAS5-26555. Based on observations collected at the European Southern Observatory, Chile (ESO programmes 168.A-0485, 64.0-0643, 66.A-0572, and 68.A-0544).

  10. Theoretical predictions for pp and panti p elastic scattering in the TeV energy domain

    International Nuclear Information System (INIS)

    Bourrely, C.; Martin, A.

    1984-01-01

    We present theoretical predictions on total cross-sections and elastic scattering in the TeV energy domain obtained from the present experimental situation at the ISR and the panti p Collider. (orig.)

  11. Graph-theoretic measures of multivariate association and prediction

    International Nuclear Information System (INIS)

    Friedman, J.H.; Rafsky, L.C.

    1983-01-01

    Interpoint-distance-based graphs can be used to define measures of association that extend Kendall's notion of a generalized correlation coefficient. The authors present particular statistics that provide distribution-free tests of independence sensitive to alternatives involving non-monotonic relationships. Moreover, since ordering plays no essential role, the ideas that fully applicable in a multivariate setting. The authors also define an asymmetric coefficient measuring the extent to which (a vector) X can be used to make single-valued predictions of (a vector) Y. The authors discuss various techniques for proving that such statistics are asymptotically normal. As an example of the effectiveness of their approach, the authors present an application to the examination of residuals from multiple regression. 18 references, 2 figures, 1 table

  12. On the problem of synthesis of superheavy nuclei. A short historical review on first theoretical predictions

    International Nuclear Information System (INIS)

    Kalinkin, B.N.; Gareev, F.A.

    1999-01-01

    It is shown that it is just Dubna that possesses the priority both in the recent synthesis of a superheavy nucleus with charge Z=114 (Flerov Laboratory of Nuclear Reactions, JINR) and in its theoretical prediction (Bogolyubov Laboratory of Theoretical Physics, JINR) made 33 years ago. Possible sizes of the 'island of stability' of superheavy nuclei are discussed

  13. Climate Prediction Center (CPC) US daily temperature analyses

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The U.S. daily temperature analyses are maps depicting various temperature quantities utilizing daily maximum and minimum temperature data across the US. Maps are...

  14. Prediction of molecular properties using graph-theoretical invariants

    Energy Technology Data Exchange (ETDEWEB)

    Helal, N.L.; Steinhaeusler, F.; Winkler-Heil, R. [Inst. of Physics and Biophysics, Univ. of Salzburg, Salzburg (Austria); Eckl, P.M. [Inst. of Genetics and General Biology, Univ. of Salzburg, Salzburg (Austria)

    2002-03-01

    In man's living and working environments, situations are often encountered in which different ambient factors of a physical, chemical or biological nature could combine with ionizing radiation and give rise to undesirable effects. The list of chemicals, the action of which might combine with that of radiation in the environment is very extensive and many of these chemicals may produce carcinogenic or mutagenic effects or serve as carriers of trace metals, radioactive nuclides or polycyclic aromatic hydrocarbons. High levels of mutagenic chemicals have been reported in many types of food. Broiled meat and fish contain mutagenic compounds arising from the pyrolysis of proteins and amino acids. Mutagens and co-mutagens have also been reported in vegetable derivatives of foods, such as caffeine. As mutagenicity often correlates well with carcinogenicity, the above substances may be considered to be potential carcinogens both alone or in combination with radiation. Progress in the analysis of the interaction of ionizing radiation and toxicants is affected by the lack of scientific data quantitatively relating chemical exposures to a given health risk. The implementation of standard protocols to increase conformity among reported research is urgently needed as a prerequisite for the comparison of data from different laboratories, and the application of this in risk characterization. However, systematic and comprehensive risk management for the multitude of chemical substances which are present on the market and in the environment cannot be based on the availability of experimental data alone. Furthermore, for most existing chemicals these data are not available and will not become available in the near future. Reliable predictions based on quantitative structure-action relationships (QSARs) could represent an effective alternative, provided that, however, differences in the actions of different molecules are linked to differences in their chemical structures. In

  15. Theoretical predictions of lactate and hydrogen ion distributions in tumours.

    Directory of Open Access Journals (Sweden)

    Maymona Al-Husari

    Full Text Available High levels of lactate and H(+-ions play an important role in the invasive and metastatic cascade of some tumours. We develop a mathematical model of cellular pH regulation focusing on the activity of the Na(+/H(+ exchanger (NHE and the lactate/H(+ symporter (MCT to investigate the spatial correlations of extracellular lactate and H(+-ions. We highlight a crucial role for blood vessel perfusion rates in determining the spatial correlation between these two cations. We also predict critical roles for blood lactate, the activity of the MCTs and NHEs on the direction of the cellular pH gradient in the tumour. We also incorporate experimentally determined heterogeneous distributions of the NHE and MCT transporters. We show that this can give rise to a higher intracellular pH and a lower intracellular lactate but does not affect the direction of the reversed cellular pH gradient or redistribution of protons away from the glycolytic source. On the other hand, including intercellular gap junction communication in our model can give rise to a reversed cellular pH gradient and can influence the levels of pH.

  16. Quantitative comparison between theoretical predictions and experimental results for the BCS-BEC crossover

    International Nuclear Information System (INIS)

    Perali, A.; Pieri, P.; Strinati, G.C.

    2004-01-01

    Theoretical predictions for the Bardeen-Cooper-Schrieffer-Bose-Einstein condensation crossover of trapped Fermi atoms are compared with recent experimental results for the density profiles of L 6 i. The calculations rest on a single theoretical approach that includes pairing fluctuations beyond mean-field. Excellent agreement with experimental results is obtained. Theoretical predictions for the zero-temperature chemical potential and gap at the unitarity limit are also found to compare extremely well with Quantum Monte Carlo simulations and with recent experimental results

  17. Point-counterpoint in physics: theoretical prediction and experimental discovery of elementary particles

    International Nuclear Information System (INIS)

    Leite Lopes, J.

    1984-01-01

    A report is given on the theoretical prediction and the experimental discovery of elementary particles from the electron to the weak intermediate vector bosons. The work of Lattes, Occhialini and Powell which put in evidence the pions predicted by Yukawa was the starting point of the modern experimental particle physics

  18. Point-counterpoint in physics: theoretical prediction and experimental discovery of elementary particles

    International Nuclear Information System (INIS)

    Lopes, J.L.

    1984-01-01

    A report is given on the theoretical prediction and the experimental discovery of elementary particles from the electron to the weak intermediate vector bosons. The work of Lattes, Occhialini and Powell which put in evidence the pions predicted by Yukawa was the starting point of the modern experimental particle physics. (Author) [pt

  19. A Critique of the Meta-theoretical Explanations and Analyses of the ...

    African Journals Online (AJOL)

    conditions for the Stimulation and Attraction of Foreign Direct Investments. ... these explanations and analyses are able to sufficiently account for, and capture the critical forces, processes and factors that tend to shape the movement of capital globally.

  20. Analysing Twitter and web queries for flu trend prediction.

    Science.gov (United States)

    Santos, José Carlos; Matos, Sérgio

    2014-05-07

    Social media platforms encourage people to share diverse aspects of their daily life. Among these, shared health related information might be used to infer health status and incidence rates for specific conditions or symptoms. In this work, we present an infodemiology study that evaluates the use of Twitter messages and search engine query logs to estimate and predict the incidence rate of influenza like illness in Portugal. Based on a manually classified dataset of 2704 tweets from Portugal, we selected a set of 650 textual features to train a Naïve Bayes classifier to identify tweets mentioning flu or flu-like illness or symptoms. We obtained a precision of 0.78 and an F-measure of 0.83, based on cross validation over the complete annotated set. Furthermore, we trained a multiple linear regression model to estimate the health-monitoring data from the Influenzanet project, using as predictors the relative frequencies obtained from the tweet classification results and from query logs, and achieved a correlation ratio of 0.89 (puser-generated content have mostly focused on the english language. Our results further validate those studies and show that by changing the initial steps of data preprocessing and feature extraction and selection, the proposed approaches can be adapted to other languages. Additionally, we investigated whether the predictive model created can be applied to data from the subsequent flu season. In this case, although the prediction result was good, an initial phase to adapt the regression model could be necessary to achieve more robust results.

  1. Comparative and Predictive Multimedia Assessments Using Monte Carlo Uncertainty Analyses

    Science.gov (United States)

    Whelan, G.

    2002-05-01

    Multiple-pathway frameworks (sometimes referred to as multimedia models) provide a platform for combining medium-specific environmental models and databases, such that they can be utilized in a more holistic assessment of contaminant fate and transport in the environment. These frameworks provide a relatively seamless transfer of information from one model to the next and from databases to models. Within these frameworks, multiple models are linked, resulting in models that consume information from upstream models and produce information to be consumed by downstream models. The Framework for Risk Analysis in Multimedia Environmental Systems (FRAMES) is an example, which allows users to link their models to other models and databases. FRAMES is an icon-driven, site-layout platform that is an open-architecture, object-oriented system that interacts with environmental databases; helps the user construct a Conceptual Site Model that is real-world based; allows the user to choose the most appropriate models to solve simulation requirements; solves the standard risk paradigm of release transport and fate; and exposure/risk assessments to people and ecology; and presents graphical packages for analyzing results. FRAMES is specifically designed allow users to link their own models into a system, which contains models developed by others. This paper will present the use of FRAMES to evaluate potential human health exposures using real site data and realistic assumptions from sources, through the vadose and saturated zones, to exposure and risk assessment at three real-world sites, using the Multimedia Environmental Pollutant Assessment System (MEPAS), which is a multimedia model contained within FRAMES. These real-world examples use predictive and comparative approaches coupled with a Monte Carlo analysis. A predictive analysis is where models are calibrated to monitored site data, prior to the assessment, and a comparative analysis is where models are not calibrated but

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

    Directory of Open Access Journals (Sweden)

    Longquan Yong

    2012-01-01

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

  3. Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation

    Energy Technology Data Exchange (ETDEWEB)

    Manfrini, Rozangela Magalhaes; Teixeira, Flavia Rodrigues; Pilo-Veloso, Dorila; Alcantara, Antonio Flavio de Carvalho, E-mail: aalcantara@zeus.qui.ufmg.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Inst. de Ciencias Exatas. Dept. de Quimica; Nelson, David Lee [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Fac. de Farmacia. Dept. de Quimica; Siqueira, Ezequias Pessoa de [Centro de Pesquisas Rene Rachou (FIOCRUZ), Belo Horizonte, MG (Brazil)

    2012-07-01

    The stability of N-propylbutanimine (1) was investigated under different experimental conditions. The acid-catalyzed self-condensation that produced the E-enimine (4) and Z-inimine (5) was studied by experimental analyses and theoretical calculations. Since the calculations for the energy of 5 indicated that it had a lower energy than 4, yet 4 was the principal product, the self-condensation of 1 must be kinetically controlled. (author)

  4. Conformational determination of [Leu]enkephalin based on theoretical and experimental VA and VCD spectral analyses

    DEFF Research Database (Denmark)

    Abdali, Salim; Jalkanen, Karl J.; Cao, X.

    2004-01-01

    Conformational determination of [Leu]enkephalin in DMSO-d6 is carried out using VA and VCD spectral analyses. Conformational energies, vibrational frequencies and VA and VCD intensities are calculated using DFT at B3LYP/6-31G* level of theory. Comparison between the measured spectra...

  5. Experimental and theoretical analyses of temperature polarization effect in vacuum membrane distillation

    KAUST Repository

    Alsaadi, Ahmad Salem; Francis, Lijo; Amy, Gary L.; Ghaffour, NorEddine

    2014-01-01

    This paper discusses the effect of temperature polarization in Vacuum Membrane Distillation (VMD). The main motivation for using VMD in this work is that this module configuration is much simpler and more suitable for this kind of investigation than the other MD configurations such as Direct Contact Membrane Distillation (DCMD). The coupling between heat and mass transfer mechanisms at the feed-membrane interface is presented from a theoretical point of view. In addition, a new simple graphical method and a mathematical model for determining VMD flux are presented. The two methods used in evaluating the extent of temperature polarization effect on water vapor flux (flux sensitivity factors and temperature polarization coefficient (TPC)) are also analyzed and compared. The effect of integrating a heat recovery system in a large scale module on the TPC coefficient has also been studied and presented in this paper. © 2014 Elsevier B.V.

  6. Theoretical analyses of an injection-locked diode-pumped rubidium vapor laser.

    Science.gov (United States)

    Cai, He; Gao, Chunqing; Liu, Xiaoxu; Wang, Shunyan; Yu, Hang; Rong, Kepeng; An, Guofei; Han, Juhong; Zhang, Wei; Wang, Hongyuan; Wang, You

    2018-04-02

    Diode-pumped alkali lasers (DPALs) have drawn much attention since they were proposed in 2001. The narrow-linewidth DPAL can be potentially applied in the fields of coherent communication, laser radar, and atomic spectroscopy. In this study, we propose a novel protocol to narrow the width of one kind of DPAL, diode-pumped rubidium vapor laser (DPRVL), by use of an injection locking technique. A kinetic model is first set up for an injection-locked DPRVL with the end-pumped configuration. The laser tunable duration is also analyzed for a continuous wave (CW) injection-locked DPRVL system. Then, the influences of the pump power, power of a master laser, and reflectance of an output coupler on the output performance are theoretically analyzed. The study should be useful for design of a narrow-linewidth DPAL with the relatively high output.

  7. Experimental and theoretical analyses of temperature polarization effect in vacuum membrane distillation

    KAUST Repository

    Alsaadi, Ahmad Salem

    2014-08-13

    This paper discusses the effect of temperature polarization in Vacuum Membrane Distillation (VMD). The main motivation for using VMD in this work is that this module configuration is much simpler and more suitable for this kind of investigation than the other MD configurations such as Direct Contact Membrane Distillation (DCMD). The coupling between heat and mass transfer mechanisms at the feed-membrane interface is presented from a theoretical point of view. In addition, a new simple graphical method and a mathematical model for determining VMD flux are presented. The two methods used in evaluating the extent of temperature polarization effect on water vapor flux (flux sensitivity factors and temperature polarization coefficient (TPC)) are also analyzed and compared. The effect of integrating a heat recovery system in a large scale module on the TPC coefficient has also been studied and presented in this paper. © 2014 Elsevier B.V.

  8. Auction-theoretic analyses of the first offshore wind energy auction in Germany

    Science.gov (United States)

    Kreiss, J.; Ehrhart, K.-M.; Hanke, A.-K.

    2017-11-01

    The first offshore wind energy auction in Germany led to a striking result. The average award price was 0.44 ct/kWh and even more interesting, 3 out of 4 awarded projects had a strike price of 0.0 ct/kWh. That implies that those projects will only receive the actual wholesale market price for electricity as revenue. Although there has been a strong decline in costs of offshore wind projects, such a result is still surprising. We analyzed this result auction-theoretically and showed how the auction design and the market environment can explain part of the outcome. However, another aspect of the explanation is the high risk that the awarded bidders take regarding the future development of both the project costs and the wholesale market price.

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

    Science.gov (United States)

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

    2015-05-01

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

  10. Analysing earthquake slip models with the spatial prediction comparison test

    KAUST Repository

    Zhang, L.; Mai, Paul Martin; Thingbaijam, Kiran Kumar; Razafindrakoto, H. N. T.; Genton, Marc G.

    2014-01-01

    Earthquake rupture models inferred from inversions of geophysical and/or geodetic data exhibit remarkable variability due to uncertainties in modelling assumptions, the use of different inversion algorithms, or variations in data selection and data processing. A robust statistical comparison of different rupture models obtained for a single earthquake is needed to quantify the intra-event variability, both for benchmark exercises and for real earthquakes. The same approach may be useful to characterize (dis-)similarities in events that are typically grouped into a common class of events (e.g. moderate-size crustal strike-slip earthquakes or tsunamigenic large subduction earthquakes). For this purpose, we examine the performance of the spatial prediction comparison test (SPCT), a statistical test developed to compare spatial (random) fields by means of a chosen loss function that describes an error relation between a 2-D field (‘model’) and a reference model. We implement and calibrate the SPCT approach for a suite of synthetic 2-D slip distributions, generated as spatial random fields with various characteristics, and then apply the method to results of a benchmark inversion exercise with known solution. We find the SPCT to be sensitive to different spatial correlations lengths, and different heterogeneity levels of the slip distributions. The SPCT approach proves to be a simple and effective tool for ranking the slip models with respect to a reference model.

  11. Analysing earthquake slip models with the spatial prediction comparison test

    KAUST Repository

    Zhang, L.

    2014-11-10

    Earthquake rupture models inferred from inversions of geophysical and/or geodetic data exhibit remarkable variability due to uncertainties in modelling assumptions, the use of different inversion algorithms, or variations in data selection and data processing. A robust statistical comparison of different rupture models obtained for a single earthquake is needed to quantify the intra-event variability, both for benchmark exercises and for real earthquakes. The same approach may be useful to characterize (dis-)similarities in events that are typically grouped into a common class of events (e.g. moderate-size crustal strike-slip earthquakes or tsunamigenic large subduction earthquakes). For this purpose, we examine the performance of the spatial prediction comparison test (SPCT), a statistical test developed to compare spatial (random) fields by means of a chosen loss function that describes an error relation between a 2-D field (‘model’) and a reference model. We implement and calibrate the SPCT approach for a suite of synthetic 2-D slip distributions, generated as spatial random fields with various characteristics, and then apply the method to results of a benchmark inversion exercise with known solution. We find the SPCT to be sensitive to different spatial correlations lengths, and different heterogeneity levels of the slip distributions. The SPCT approach proves to be a simple and effective tool for ranking the slip models with respect to a reference model.

  12. Theoretical study for a digital transfer function analyser; Etude theorique pour un transferometre digital

    Energy Technology Data Exchange (ETDEWEB)

    Freycenon, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-01

    This study deals with the harmonic analysis of the instantaneous counting rate of a pulse train. This arises from using a fission chamber for reactivity to power transfer function measurements by oscillation methods in reactors. The systematical errors due to the sampling process are computed. The integration carried out when sampling the signal modifies the formulae of the Nyquist theorem on spectrum folding. The statistical errors due to the noise are analysed: it is shown that the bandwidth of the spectral window applied to the noise frequency spectrum is equal to the inverse of the time duration of the experiment. A dead time of 25 per cent of the sampling time does not increase appreciably the bandwidth. A new method is proposed afterwards yielding very approximate results of the Fourier analysis during the experiment. The systematical errors arising from the measuring process are determined, and it is shown that the bandwidth of the corresponding spectral window is still given by the inverse of the time duration of the experiment. (author) [French] Cette etude se rapporte a l'analyse harmonique de la valeur instantanee du taux de comptage d'une suite d'impulsions. On rencontre ce probleme dans l'utilisation de chambres a fission pour les mesures de fonction de transfert reactivite-puissance par la methode d'oscillation dans les piles. On calcule l'erreur systematique due au processus d'echantillonnage ou l'integration operee modifie les formules classiques de recouvrement du spectre. On analyse ensuite les erreurs statistiques dues au bruit de fond. On montre que la largeur de bande de la fenetre spectrale appliquee au spectre de puissance du bruit est donnee par l'inverse du temps de mesure. Un temps mort de 25 pour cent du temps de prelevement n'accroit pas sensiblement cette largeur de bande. On propose ensuite un procede simple qui permet d'obtenir, en cours d'experience, des resultats tres approches de l'analyse de Fourier. On determine les erreurs

  13. Theoretical analyses of a 1.617-μm laser with a MOPA configuration

    Science.gov (United States)

    Cai, He; Han, Juhong; Wang, You; Rong, Kepeng; Yu, Hang; Wang, Shunyan; An, Guofei; Zhang, Wei; Wu, Peng; Yu, Qiang; Wang, Hongyuan

    2018-01-01

    In the recent years, lasers around 1.6 μm are attracted much attention since their wavelengths fit the atmospheric transmission window and can be used for applications in a range of fields including laser radar, gas sensing, and free-space communications. As one of the lasing wavelengths of an Er:YAG medium is just located in the 1.6 μm region, such a laser has been gaining more and more extensive applications in the near infrared. Until now, rare literatures have been found in the MOPA (Master Oscillator Power Amplifier) study of a 1.617 μm Er:YAG laser because the effect of upconversion will become greater while a higher doping concentration is adopted. In this study, we theoretically analyze the amplification features of a 1.617 μm Er:YAG seed laser by using a multiple MOPA configuration. In the simulation, a kinetic model is established to investigate how the doping concentration, crystal length, and pump power affect the amplification efficiency of a seed laser. The results would be helpful to construct a feasible 1.617 μm laser system.

  14. Search for an interstellar Si2C molecule: A theoretical prediction

    Indian Academy of Sciences (India)

    63, No. 3. — journal of. September 2004 physics pp. 627–631. Search for an interstellar Si2C molecule: A theoretical prediction. SURESH CHANDRA. School of ... top molecule as its electric dipole moment µ lies along the axis of intermediate moment of inertia. Because of differences between the molecular parameters of.

  15. Predicting Child Abuse Potential: An Empirical Investigation of Two Theoretical Frameworks

    Science.gov (United States)

    Begle, Angela Moreland; Dumas, Jean E.; Hanson, Rochelle F.

    2010-01-01

    This study investigated two theoretical risk models predicting child maltreatment potential: (a) Belsky's (1993) developmental-ecological model and (b) the cumulative risk model in a sample of 610 caregivers (49% African American, 46% European American; 53% single) with a child between 3 and 6 years old. Results extend the literature by using a…

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

    Czech Academy of Sciences Publication Activity Database

    Bogdanić, Grozdana; Pavlíček, Jan; Wichterle, Ivan

    2012-01-01

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

  17. An AP endonuclease 1-DNA polymerase beta complex: theoretical prediction of interacting surfaces.

    Directory of Open Access Journals (Sweden)

    Alexej Abyzov

    2008-04-01

    Full Text Available Abasic (AP sites in DNA arise through both endogenous and exogenous mechanisms. Since AP sites can prevent replication and transcription, the cell contains systems for their identification and repair. AP endonuclease (APEX1 cleaves the phosphodiester backbone 5' to the AP site. The cleavage, a key step in the base excision repair pathway, is followed by nucleotide insertion and removal of the downstream deoxyribose moiety, performed most often by DNA polymerase beta (pol-beta. While yeast two-hybrid studies and electrophoretic mobility shift assays provide evidence for interaction of APEX1 and pol-beta, the specifics remain obscure. We describe a theoretical study designed to predict detailed interacting surfaces between APEX1 and pol-beta based on published co-crystal structures of each enzyme bound to DNA. Several potentially interacting complexes were identified by sliding the protein molecules along DNA: two with pol-beta located downstream of APEX1 (3' to the damaged site and three with pol-beta located upstream of APEX1 (5' to the damaged site. Molecular dynamics (MD simulations, ensuring geometrical complementarity of interfaces, enabled us to predict interacting residues and calculate binding energies, which in two cases were sufficient (approximately -10.0 kcal/mol to form a stable complex and in one case a weakly interacting complex. Analysis of interface behavior during MD simulation and visual inspection of interfaces allowed us to conclude that complexes with pol-beta at the 3'-side of APEX1 are those most likely to occur in vivo. Additional multiple sequence analyses of APEX1 and pol-beta in related organisms identified a set of correlated mutations of specific residues at the predicted interfaces. Based on these results, we propose that pol-beta in the open or closed conformation interacts and makes a stable interface with APEX1 bound to a cleaved abasic site on the 3' side. The method described here can be used for analysis in

  18. Prediction by graph theoretic measures of structural effects in proteins arising from non-synonymous single nucleotide polymorphisms.

    Directory of Open Access Journals (Sweden)

    Tammy M K Cheng

    Full Text Available Recent analyses of human genome sequences have given rise to impressive advances in identifying non-synonymous single nucleotide polymorphisms (nsSNPs. By contrast, the annotation of nsSNPs and their links to diseases are progressing at a much slower pace. Many of the current approaches to analysing disease-associated nsSNPs use primarily sequence and evolutionary information, while structural information is relatively less exploited. In order to explore the potential of such information, we developed a structure-based approach, Bongo (Bonds ON Graph, to predict structural effects of nsSNPs. Bongo considers protein structures as residue-residue interaction networks and applies graph theoretical measures to identify the residues that are critical for maintaining structural stability by assessing the consequences on the interaction network of single point mutations. Our results show that Bongo is able to identify mutations that cause both local and global structural effects, with a remarkably low false positive rate. Application of the Bongo method to the prediction of 506 disease-associated nsSNPs resulted in a performance (positive predictive value, PPV, 78.5% similar to that of PolyPhen (PPV, 77.2% and PANTHER (PPV, 72.2%. As the Bongo method is solely structure-based, our results indicate that the structural changes resulting from nsSNPs are closely associated to their pathological consequences.

  19. On the use of uncertainty analyses to test hypotheses regarding deterministic model predictions of environmental processes

    International Nuclear Information System (INIS)

    Gilbert, R.O.; Bittner, E.A.; Essington, E.H.

    1995-01-01

    This paper illustrates the use of Monte Carlo parameter uncertainty and sensitivity analyses to test hypotheses regarding predictions of deterministic models of environmental transport, dose, risk and other phenomena. The methodology is illustrated by testing whether 238 Pu is transferred more readily than 239+240 Pu from the gastrointestinal (GI) tract of cattle to their tissues (muscle, liver and blood). This illustration is based on a study wherein beef-cattle grazed for up to 1064 days on a fenced plutonium (Pu)-contaminated arid site in Area 13 near the Nevada Test Site in the United States. Periodically, cattle were sacrificed and their tissues analyzed for Pu and other radionuclides. Conditional sensitivity analyses of the model predictions were also conducted. These analyses indicated that Pu cattle tissue concentrations had the largest impact of any model parameter on the pdf of predicted Pu fractional transfers. Issues that arise in conducting uncertainty and sensitivity analyses of deterministic models are discussed. (author)

  20. Information-theoretic model selection for optimal prediction of stochastic dynamical systems from data

    Science.gov (United States)

    Darmon, David

    2018-03-01

    In the absence of mechanistic or phenomenological models of real-world systems, data-driven models become necessary. The discovery of various embedding theorems in the 1980s and 1990s motivated a powerful set of tools for analyzing deterministic dynamical systems via delay-coordinate embeddings of observations of their component states. However, in many branches of science, the condition of operational determinism is not satisfied, and stochastic models must be brought to bear. For such stochastic models, the tool set developed for delay-coordinate embedding is no longer appropriate, and a new toolkit must be developed. We present an information-theoretic criterion, the negative log-predictive likelihood, for selecting the embedding dimension for a predictively optimal data-driven model of a stochastic dynamical system. We develop a nonparametric estimator for the negative log-predictive likelihood and compare its performance to a recently proposed criterion based on active information storage. Finally, we show how the output of the model selection procedure can be used to compare candidate predictors for a stochastic system to an information-theoretic lower bound.

  1. Comparisons of theoretically predicted transport from ion temperature gradient instabilities to L-mode tokamak experiments

    International Nuclear Information System (INIS)

    Kotschenreuther, M.; Wong, H.V.; Lyster, P.L.; Berk, H.L.; Denton, R.; Miner, W.H.; Valanju, P.

    1991-12-01

    The theoretical transport from kinetic micro-instabilities driven by ion temperature gradients is a sheared slab is compared to experimentally inferred transport in L-mode tokamaks. Low noise gyrokinetic simulation techniques are used to obtain the ion thermal transport coefficient X. This X is much smaller than in experiments, and so cannot explain L-mode confinement. Previous predictions based on fluid models gave much greater X than experiments. Linear and nonlinear comparisons with the fluid model show that it greatly overestimates transport for experimental parameters. In addition, disagreements among previous analytic and simulation calculations of X in the fluid model are reconciled

  2. Theoretical Predictions of Cross-Sections of the Super-Heavy Elements

    Science.gov (United States)

    Bouriquet, B.; Kosenko, G.; Abe, Y.

    The evaluation of the residue cross-sections of reactionssynthesising superheavy elements has been achieved by the combination of the two-step model for fusion and the evaporation code (KEWPIE) for survival probability. The theoretical scheme of those calculations is presented, and some encouraging results are given, together with some difficulties. With this approach, the measured excitation functions of the 1n reactions producing elements with Z=108, 110, 111 and 112 are well reproduced. Thus, the model has been used to predict the cross-sections of the reactions leading to the formation of the elements with Z=113 and Z=114.

  3. Theoretical predictions of cross-sections of the super-heavy elements

    International Nuclear Information System (INIS)

    Bouriquet, B.; Abe, Y.; Kosenko, G.

    2004-01-01

    The evaluation of the residue cross-sections of reactions synthesising superheavy elements has been achieved by the combination of the two-step model for fusion and the evaporation code (KEWPIE) for survival probability. The theoretical scheme of those calculations is presented, and some encouraging results are given, together with some difficulties. With this approach, the measured excitation functions of the 1n reactions producing elements with Z = 108, 110, 111 and 112 are well reproduced. Thus, the model has been used to predict the cross-sections of the reactions leading to the formation of the elements with Z = 113 and Z = 114. (author)

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

    Science.gov (United States)

    Atahan-Evrenk, Sule; Aspuru-Guzik, Alán

    2014-01-01

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

  5. A theoretical prediction of critical heat flux in saturated pool boiling during power transients

    International Nuclear Information System (INIS)

    Pasamehmetoglu, K.O.; Nelson, R.A.; Gunnerson, F.S.

    1987-01-01

    Understanding and predicting critical heat flux (CHF) behavior during steady-state and transient conditions is of fundamental interest in the design, operation, and safety of boiling and two-phase flow devices. Presented within this paper are the results of a comprehensive theoretical study specifically conducted to model transient CHF behavior in saturated pool boiling. Thermal energy conduction within a heating element and its influence on the CHF are also discussed. The resultant theory provides new insight into the basic physics of the CHF phenomenon and indicates favorable agreement with the experimental data from cylindrical heaters with small radii. However, the flat-ribbon heater data compared poorly with the present theory, although the general trend was predicted. Finally, various factors that affect the discrepency between the data and the theory are listed

  6. Probing the CuO planes with positrons in high Tc cuprates: theoretical predictions

    International Nuclear Information System (INIS)

    Barbiellini, B.; Jarlborg, T.; Massidda, S.; Peter, M.

    1995-01-01

    Positron annihilation spectroscopy is a useful tool to investigate the Fermi surface in high T c superconductors. To study the physics of the copper-oxygen subsystem that forms the Cu-O layers, it is important to provide theoretical predictions, on materials where there is a large overlap between the positron and the interesting Cu-O planes. We have performed first-principle electronic structure calculations obtained using the linear muffin-tin orbital and the full-potential linearized augmented plane wave methods. The positron charge distributions and their sensitivity to different potentials are calculated. Secondly, we have computed the annihilation rates and the electron-positron momentum density in order to give predictions of the Fermi surface signals. (orig.)

  7. Theoretical prediction of crystallization kinetics of a supercooled Lennard-Jones fluid

    Science.gov (United States)

    Gunawardana, K. G. S. H.; Song, Xueyu

    2018-05-01

    The first order curvature correction to the crystal-liquid interfacial free energy is calculated using a theoretical model based on the interfacial excess thermodynamic properties. The correction parameter (δ), which is analogous to the Tolman length at a liquid-vapor interface, is found to be 0.48 ± 0.05 for a Lennard-Jones (LJ) fluid. We show that this curvature correction is crucial in predicting the nucleation barrier when the size of the crystal nucleus is small. The thermodynamic driving force (Δμ) corresponding to available simulated nucleation conditions is also calculated by combining the simulated data with a classical density functional theory. In this paper, we show that the classical nucleation theory is capable of predicting the nucleation barrier with excellent agreement to the simulated results when the curvature correction to the interfacial free energy is accounted for.

  8. Rolling force prediction for strip casting using theoretical model and artificial intelligence

    Institute of Scientific and Technical Information of China (English)

    CAO Guang-ming; LI Cheng-gang; ZHOU Guo-ping; LIU Zhen-yu; WU Di; WANG Guo-dong; LIU Xiang-hua

    2010-01-01

    Rolling force for strip casting of 1Cr17 ferritic stainless steel was predicted using theoretical model and artificial intelligence.Solution zone was classified into two parts by kiss point position during casting strip.Navier-Stokes equation in fluid mechanics and stream function were introduced to analyze the rheological property of liquid zone and mushy zone,and deduce the analytic equation of unit compression stress distribution.The traditional hot rolling model was still used in the solid zone.Neural networks based on feedforward training algorithm in Bayesian regularization were introduced to build model for kiss point position.The results show that calculation accuracy for verification data of 94.67% is in the range of+7.0%,which indicates that the predicting accuracy of this model is very high.

  9. A theoretical adaptive model of thermal comfort - Adaptive Predicted Mean Vote (aPMV)

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Runming [School of Construction Management and Engineering, The University of Reading (United Kingdom); Faculty of Urban Construction and Environmental Engineering, Chongqing University (China); Li, Baizhan [Key Laboratory of the Three Gorges Reservoir Region' s Eco-Environment (Ministry of Education), Chongqing University (China); Faculty of Urban Construction and Environmental Engineering, Chongqing University (China); Liu, Jing [School of Construction Management and Engineering, The University of Reading (United Kingdom)

    2009-10-15

    This paper presents in detail a theoretical adaptive model of thermal comfort based on the ''Black Box'' theory, taking into account factors such as culture, climate, social, psychological and behavioural adaptations, which have an impact on the senses used to detect thermal comfort. The model is called the Adaptive Predicted Mean Vote (aPMV) model. The aPMV model explains, by applying the cybernetics concept, the phenomena that the Predicted Mean Vote (PMV) is greater than the Actual Mean Vote (AMV) in free-running buildings, which has been revealed by many researchers in field studies. An Adaptive coefficient ({lambda}) representing the adaptive factors that affect the sense of thermal comfort has been proposed. The empirical coefficients in warm and cool conditions for the Chongqing area in China have been derived by applying the least square method to the monitored onsite environmental data and the thermal comfort survey results. (author)

  10. A simple equilibrium theoretical model and predictions for a continuous wave exciplex pumped alkali laser

    International Nuclear Information System (INIS)

    Carroll, David L; Verdeyen, Joseph T

    2013-01-01

    The exciplex pumped alkali laser (XPAL) system has been demonstrated in mixtures of Cs vapour, Ar, with and without ethane, by pumping Cs-Ar atomic collision pairs and subsequent dissociation of diatomic, electronically excited CsAr molecules (exciplexes or excimers). The blue satellites of the alkali D 2 lines provide an advantageous pathway for optically pumping atomic alkali lasers on the principal series (resonance) transitions with broad linewidth (>2 nm) semiconductor diode lasers. The development of a simple theoretical analysis of continuous-wave XPAL systems is presented along with predictions as a function of temperature and pump intensity. The model predicts that an optical-to-optical efficiency in the range of 40-50% can be achieved for XPAL.

  11. Theoretical predictions for side-chain liquid-crystal polymers and comparison to experiment

    International Nuclear Information System (INIS)

    Dowell, F.

    1988-01-01

    This paper presents results from a new unique microscopic molecular theory for side-chain liquid-crystalline polymers (LCPs) in the nematic (N) and multiple smectic-A (SA) LC phases and the isotropic (I) liquid phase. There are no ad hoc or arbitrarily adjustable parameters in this theory. The agreement between the theoretical and experimental values for various properties (including transition temperatures and quadratic characteristic radii) is very good (relative deviations between 0% and less than 6.2%). The theoretical results also show--for the first time--that the N and I phases for these LCPs involve the packing of plate-like sections of backbones and side chains and that the local bilayer SA phase involves packing of side-chains within a plate-like section. This type of packing is predicted to be typical for side-chain LCPs. This theory can predict--for the first time--whether the side chains of a molecule pack on the same or alternating opposite sides of the backbone and whether side chains on different molecules interdigitate (overlap) with each other. 13 refs., 1 fig., 4 tabs

  12. A theoretical model for predicting the Peak Cutting Force of conical picks

    Directory of Open Access Journals (Sweden)

    Gao Kuidong

    2014-01-01

    Full Text Available In order to predict the PCF (Peak Cutting Force of conical pick in rock cutting process, a theoretical model is established based on elastic fracture mechanics theory. The vertical fracture model of rock cutting fragment is also established based on the maximum tensile criterion. The relation between vertical fracture angle and associated parameters (cutting parameter  and ratio B of rock compressive strength to tensile strength is obtained by numerical analysis method and polynomial regression method, and the correctness of rock vertical fracture model is verified through experiments. Linear regression coefficient between the PCF of prediction and experiments is 0.81, and significance level less than 0.05 shows that the model for predicting the PCF is correct and reliable. A comparative analysis between the PCF obtained from this model and Evans model reveals that the result of this prediction model is more reliable and accurate. The results of this work could provide some guidance for studying the rock cutting theory of conical pick and designing the cutting mechanism.

  13. 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

  14. The prediction of candidate genes for cervix related cancer through gene ontology and graph theoretical approach.

    Science.gov (United States)

    Hindumathi, V; Kranthi, T; Rao, S B; Manimaran, P

    2014-06-01

    With rapidly changing technology, prediction of candidate genes has become an indispensable task in recent years mainly in the field of biological research. The empirical methods for candidate gene prioritization that succors to explore the potential pathway between genetic determinants and complex diseases are highly cumbersome and labor intensive. In such a scenario predicting potential targets for a disease state through in silico approaches are of researcher's interest. The prodigious availability of protein interaction data coupled with gene annotation renders an ease in the accurate determination of disease specific candidate genes. In our work we have prioritized the cervix related cancer candidate genes by employing Csaba Ortutay and his co-workers approach of identifying the candidate genes through graph theoretical centrality measures and gene ontology. With the advantage of the human protein interaction data, cervical cancer gene sets and the ontological terms, we were able to predict 15 novel candidates for cervical carcinogenesis. The disease relevance of the anticipated candidate genes was corroborated through a literature survey. Also the presence of the drugs for these candidates was detected through Therapeutic Target Database (TTD) and DrugMap Central (DMC) which affirms that they may be endowed as potential drug targets for cervical cancer.

  15. Value of MR histogram analyses for prediction of microvascular invasion of hepatocellular carcinoma.

    Science.gov (United States)

    Huang, Ya-Qin; Liang, He-Yue; Yang, Zhao-Xia; Ding, Ying; Zeng, Meng-Su; Rao, Sheng-Xiang

    2016-06-01

    The objective is to explore the value of preoperative magnetic resonance (MR) histogram analyses in predicting microvascular invasion (MVI) of hepatocellular carcinoma (HCC).Fifty-one patients with histologically confirmed HCC who underwent diffusion-weighted and contrast-enhanced MR imaging were included. Histogram analyses were performed and mean, variance, skewness, kurtosis, 1th, 10th, 50th, 90th, and 99th percentiles were derived. Quantitative histogram parameters were compared between HCCs with and without MVI. Receiver operating characteristics (ROC) analyses were generated to compare the diagnostic performance of tumor size, histogram analyses of apparent diffusion coefficient (ADC) maps, and MR enhancement.The mean, 1th, 10th, and 50th percentiles of ADC maps, and the mean, variance. 1th, 10th, 50th, 90th, and 99th percentiles of the portal venous phase (PVP) images were significantly different between the groups with and without MVI (P histogram analyses-in particular for 1th percentile for PVP images-held promise for prediction of MVI of HCC.

  16. A theoretical prediction of critical heat flux in subcooled pool boiling during power transients

    International Nuclear Information System (INIS)

    Pasamehmetoglu, K.O.; Nelson, R.A.; Gunnerson, F.S.

    1988-01-01

    Understanding and predicting critical heat flux (CHF) behavior during steady-state and transient conditions are of fundamenatal interest in the design, operation, safety of boiling and two-phase flow devices. This paper discusses the results of a comprehensive theoretical study made specifically to model transient CHF behavior in subcooled pool boiling. This study is based upon a simplified steady-state CHF model in terms of the vapor mass growth period. The results obtained from this theory indicate favorable agreement with the experimental data from cylindrical heaters with small radii. The statistical nature of the vapor mass behavior in transient boiling also is considered and upper and lower limits for the current theory are established. Various factors that affect the discrepancy between the data and the theory are discussed

  17. Sediment sorting along tidal sand waves: A comparison between field observations and theoretical predictions

    Science.gov (United States)

    Van Oyen, Tomas; Blondeaux, Paolo; Van den Eynde, Dries

    2013-07-01

    A site-by-site comparison between field observations and theoretical predictions of sediment sorting patterns along tidal sand waves is performed for ten locations in the North Sea. At each site, the observed grain size distribution along the bottom topography and the geometry of the bed forms is described in detail and the procedure used to obtain the model parameters is summarized. The model appears to accurately describe the wavelength of the observed sand waves for the majority of the locations; still providing a reliable estimate for the other sites. In addition, it is found that for seven out of the ten locations, the qualitative sorting process provided by the model agrees with the observed grain size distribution. A discussion of the site-by-site comparison is provided which, taking into account uncertainties in the field data, indicates that the model grasps the major part of the key processes controlling the phenomenon.

  18. Chaotic advection at large Péclet number: Electromagnetically driven experiments, numerical simulations, and theoretical predictions

    International Nuclear Information System (INIS)

    Figueroa, Aldo; Meunier, Patrice; Villermaux, Emmanuel; Cuevas, Sergio; Ramos, Eduardo

    2014-01-01

    We present a combination of experiment, theory, and modelling on laminar mixing at large Péclet number. The flow is produced by oscillating electromagnetic forces in a thin electrolytic fluid layer, leading to oscillating dipoles, quadrupoles, octopoles, and disordered flows. The numerical simulations are based on the Diffusive Strip Method (DSM) which was recently introduced (P. Meunier and E. Villermaux, “The diffusive strip method for scalar mixing in two-dimensions,” J. Fluid Mech. 662, 134–172 (2010)) to solve the advection-diffusion problem by combining Lagrangian techniques and theoretical modelling of the diffusion. Numerical simulations obtained with the DSM are in reasonable agreement with quantitative dye visualization experiments of the scalar fields. A theoretical model based on log-normal Probability Density Functions (PDFs) of stretching factors, characteristic of homogeneous turbulence in the Batchelor regime, allows to predict the PDFs of scalar in agreement with numerical and experimental results. This model also indicates that the PDFs of scalar are asymptotically close to log-normal at late stages, except for the large concentration levels which correspond to low stretching factors

  19. Testing by photometric measurement and camera study of theoretical prediction of microvolume universal sessile dropshape

    International Nuclear Information System (INIS)

    Smith, S R P; O'Neill, M; McMillan, N D; Arthure, K; Smith, S; Riedel, S

    2011-01-01

    The approach to the theory of sessile dropshapes held on a cylindrical drophead is discussed. It reveals an 'undifferentiable' universal micro-dropshape for volumes below 3μL. Camera studies demonstrate the veracity of this prediction exploited in the design of a new microvolume spectrometer. The mean pathlength of light injected through a microvolume sessile drop has been determined both from the model and from experiment. Drop volumes determine accurately the mean pathlength and with this Beer's law relationship is experimentally confirmed. The Transmitted Light Drop Analyser uses this universal 'natural cuvette' to deliver both high-performance UV spectra and absorbance measurements at discrete wavelengths.

  20. Experimental data and theoretical predictions for the rate of electrophoretic clarification of colloidal suspensions

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, T.J.; Davis, E.J.

    2000-05-01

    An experimental and theoretical investigation of the electrophoretic clarification rate of colloidal suspensions was conducted. The suspensions included a coal-washing effluent and a model system of TiO{sub 2} particles. A parametric study of TiO{sub 2} suspensions was performed to validate and analysis of the electrophoretic motion of the clarification front formed between a clear zone and the suspension. To measure the electric field strength needed in the prediction of the location of the front, a moveable probe and salt bridge were connected to a reference electrode. Using the measured electric field strengths, it was found that the numerical solution to the unit cell electrophoresis model agrees with the measured clarification rates. For suspensions with moderately thick electric double layers and high particle volume fractions the deviations from classical Smoluchowski theory are substantial, and the numerical analysis is in somewhat better agreement with the data than a prior solution of the problem. The numerical model reduces to the predictions of previous theories as the thickness of the electric double layer decreases, and it is in good agreement with the clarification rate measured for a coal-washing effluent suspension with thin electric double layers.

  1. Experimental data and theoretical predictions of the rate of electrophoretic clarification of colloidal suspensions

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, T.J.; Davis, E.J. [University of Washington, Seattle, WA (USA). Dept. of Chemical Engineering

    2000-05-01

    An experimental and theoretical investigation of the electrophoretic clarification rate of colloidal suspensions was conducted. The suspensions included a coal-washing effluent and a model system of TiO{sub 2} particles. A parametric study of TiO{sub 2} suspensions was performed to validate an analysis of the electrophoretic motion of the clarification front formed between a clear zone and the suspension. To measure the electric field strength needed in the prediction of the location of the front, a moveable probe and salt bridge were connected to a reference electrode. Using the measured electric field strength, it was found that the numerical solution to the unit cell electrophoresis model agrees with the measured clarification rates. For suspensions with moderately thick electric double layers and high particle volume fractions the deviations from classical Smoluchowski theory are substantial, and the numerical analysis is in somewhat better agreement with the data than a prior solution of the problem. The numerical model reduces to the predictions of previous theories as the thickness of the electric double layer decreases, and it is in good agreement with the clarification rate measured for a coal-washing effluent suspension with thin electric double layers. 21 refs., 8 figs., 4 tabs.

  2. Fundamental studies of aluminum corrosion in acidic and basic environments: Theoretical predictions and experimental observations

    International Nuclear Information System (INIS)

    Lashgari, Mohsen; Malek, Ali M.

    2010-01-01

    Using quantum electrochemical approaches based on density functional theory and cluster/polarized continuum model, we investigated the corrosion behavior of aluminum in HCl and NaOH media containing phenol inhibitor. In this regard, we determined the geometry and electronic structure of the species at metal/solution interface. The investigations revealed that the interaction energies of hydroxide corrosive agents with aluminum surface should be more negative than those of chloride ones. The inhibitor adsorption in acid is more likely to have a physical nature while it appears as though to be chemical in basic media. To verify these predictions, using Tafel plots, we studied the phenomena from experimental viewpoint. The studies confirmed that the rate of corrosion in alkaline solution is substantially greater than in HCl media. Moreover, phenol is a potential-molecule having mixed-type inhibition mechanism. The relationship between inhibitory action and molecular parameters was discussed and the activity in alkaline media was also theoretically anticipated. This prediction was in accord with experiment.

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

    Directory of Open Access Journals (Sweden)

    2009-11-01

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

  4. Lamb shift in muonic hydrogen-I. Verification and update of theoretical predictions

    International Nuclear Information System (INIS)

    Jentschura, U.D.

    2011-01-01

    Research highlights: → The QED theory of muonic hydrogen energy levels is verified and updated. → Previously obtained results of Pachucki and Borie are confirmed. → The influence of the vacuum polarization potential onto the Bethe logarithm is calculated nonperturbatively. → A model-independent estimate of the Zemach moment correction is given. → Parametrically, the observed discrepancy of theory and experiment is shown to be substantial and large. - Abstract: In view of the recently observed discrepancy of theory and experiment for muonic hydrogen [R. Pohl et al., Nature 466 (2010) 213], we reexamine the theory on which the quantum electrodynamic (QED) predictions are based. In particular, we update the theory of the 2P-2S Lamb shift, by calculating the self-energy of the bound muon in the full Coulomb + vacuum polarization (Uehling) potential. We also investigate the relativistic two-body corrections to the vacuum polarization shift, and we analyze the influence of the shape of the nuclear charge distribution on the proton radius determination. The uncertainty associated with the third Zemach moment 3 > 2 in the determination of the proton radius from the measurement is estimated. An updated theoretical prediction for the 2S-2P transition is given.

  5. What predicts depression in cardiac patients: sociodemographic factors, disease severity or theoretical vulnerabilities?

    Science.gov (United States)

    Doyle, F; McGee, H M; Conroy, R M; Delaney, M

    2011-05-01

    Depression is associated with increased cardiovascular risk in acute coronary syndrome (ACS) patients, but some argue that elevated depression is actually a marker of cardiovascular disease severity. Therefore, disease indices should better predict depression than established theoretical causes of depression (interpersonal life events, reinforcing events, cognitive distortions, type D personality). However, little theory-based research has been conducted in this area. In a cross-sectional design, ACS patients (n = 336) completed questionnaires assessing depression and psychosocial vulnerabilities. Nested logistic regression assessed the relative contribution of demographic or vulnerability factors, or disease indices or vulnerabilities to depression. In multivariate analysis, all vulnerabilities were independent significant predictors of depression (scoring above threshold on any scale, 48%). Demographic variables accounted for vulnerabilities accounting for significantly more (pseudo R² = 0.16, χ²(change) = 150.9, df = 4, p vulnerabilities increased the overall variance explained to 22% (pseudo R² = 0.22, χ² = 58.6, df = 4, p vulnerabilities predicted depression status better than did either demographic or disease indices. The presence of these proximal causes of depression suggests that depression in ACS patients is not simply a result of cardiovascular disease severity.

  6. Computational tools for experimental determination and theoretical prediction of protein structure

    Energy Technology Data Exchange (ETDEWEB)

    O`Donoghue, S.; Rost, B.

    1995-12-31

    This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. The authors intend to review the state of the art in the experimental determination of protein 3D structure (focus on nuclear magnetic resonance), and in the theoretical prediction of protein function and of protein structure in 1D, 2D and 3D from sequence. All the atomic resolution structures determined so far have been derived from either X-ray crystallography (the majority so far) or Nuclear Magnetic Resonance (NMR) Spectroscopy (becoming increasingly more important). The authors briefly describe the physical methods behind both of these techniques; the major computational methods involved will be covered in some detail. They highlight parallels and differences between the methods, and also the current limitations. Special emphasis will be given to techniques which have application to ab initio structure prediction. Large scale sequencing techniques increase the gap between the number of known proteins sequences and that of known protein structures. They describe the scope and principles of methods that contribute successfully to closing that gap. Emphasis will be given on the specification of adequate testing procedures to validate such methods.

  7. Using leg muscles as shock absorbers: theoretical predictions and experimental results of drop landing performance.

    Science.gov (United States)

    Minetti, A E; Ardigò, L P; Susta, D; Cotelli, F

    1998-12-01

    The use of muscles as power dissipators is investigated in this study, both from the modellistic and the experimental points of view. Theoretical predictions of the drop landing manoeuvre for a range of initial conditions have been obtained by accounting for the mechanical characteristics of knee extensor muscles, the limb geometry and assuming maximum neural activation. Resulting dynamics have been represented in the phase plane (vertical displacement versus speed) to better classify the damping performance. Predictions of safe landing in sedentary subjects were associated to dropping from a maximum (feet) height of 1.6-2.0 m (about 11 m on the moon). Athletes can extend up to 2.6-3.0 m, while for obese males (m = 100 kg, standard stature) the limit should reduce to 0.9-1.3 m. These results have been calculated by including in the model the estimated stiffness of the 'global elastic elements' acting below the squat position. Experimental landings from a height of 0.4, 0.7, 1.1 m (sedentary males (SM) and male (AM) and female (AF) athletes from the alpine ski national team) showed dynamics similar to the model predictions. While the peak power (for a drop height of about 0.7 m) was similar in SM and AF (AM shows a +40% increase, about 33 W/kg), AF stopped the downward movement after a time interval (0.219 +/- 0.030 s) from touch-down 20% significantly shorter than SM. Landing strategy and the effect of anatomical constraints are discussed in the paper.

  8. Integrating cross-case analyses and process tracing in set-theoretic research: Strategies and parameters of debate

    DEFF Research Database (Denmark)

    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...... – and their combination with process tracing. Our goal is to broaden and deepen set-theoretic empirical research and equip scholars with guidance on how to implement it in multi-method research (MMR). At first glance, set-theoretic cross-case methods and process tracing seem to be highly compatible when causal...... relationships are conceptualized in terms of set-theory. However, multiple issues have not so far been thoroughly addressed. Our paper builds on the emerging MMR literature and seeks to enhance it in four ways. First, we offer a comprehensive and coherent elaboration of the two sequences in which case studies...

  9. Quantitative Prediction of Coalbed Gas Content Based on Seismic Multiple-Attribute Analyses

    Directory of Open Access Journals (Sweden)

    Renfang Pan

    2015-09-01

    Full Text Available Accurate prediction of gas planar distribution is crucial to selection and development of new CBM exploration areas. Based on seismic attributes, well logging and testing data we found that seismic absorption attenuation, after eliminating the effects of burial depth, shows an evident correlation with CBM gas content; (positive structure curvature has a negative correlation with gas content; and density has a negative correlation with gas content. It is feasible to use the hydrocarbon index (P*G and pseudo-Poisson ratio attributes for detection of gas enrichment zones. Based on seismic multiple-attribute analyses, a multiple linear regression equation was established between the seismic attributes and gas content at the drilling wells. Application of this equation to the seismic attributes at locations other than the drilling wells yielded a quantitative prediction of planar gas distribution. Prediction calculations were performed for two different models, one using pre-stack inversion and the other one disregarding pre-stack inversion. A comparison of the results indicates that both models predicted a similar trend for gas content distribution, except that the model using pre-stack inversion yielded a prediction result with considerably higher precision than the other model.

  10. Developing a theoretical predictive model for cellular response to combined actions of low radiation and hyperthermia

    International Nuclear Information System (INIS)

    Jin Kyu Kim; Petin, V.G.; Mishra, K.P.

    2007-01-01

    Complete text of publication follows. Background: Organisms in their living environment are not exposed to merely a single stress agent. Several factors such as radiation and heat may simultaneously exert their stressful effect to the organisms. The combined exposure to two stressors can result in an enhanced effect that would be expected from the addition of the separate exposures to individual agents. Objective: This study has been undertaken to develop a theoretical model for assessment of combined effects of low dose radiation and mild heat for predictive cellular response assay. Rationale: Present study was motivated from the belief that synergism may occur in terms of lethal lesions arising from the interaction of non-lethal sub-lesions induced by individual agents. The sub-lesions induced by each agent may be negligible or undetectable. But, there exists a possibility of some cross talk between sublesions produced by radiation and heat. These processes may reflect the real mechanisms for inflicting the lethal damage by otherwise ignorable or undetectable insults to exposed organisms. Results: A theoretically developed mathematical model of the synergy was formulated which was tested for validation on the experimental data. The model predictions fairly closely corresponded with several experimental results. .The significance of synergistic effects for radiation biology has been demonstrated. A number of common peculiarities of synergistic interactions were found to play their roles. A unified biophysical concept for synergistic interaction has been suggested. Conclusions: For a constant dose rate, synergistic interaction between radiation and hyperthermia especially at low intensity is realized only within a certain range of temperature, independently of the target object analyzed. For temperatures below the range, the synergistic effect was not observed and cell killing was mainly determined by the damage induced by ionizing radiation. On the contrary, the

  11. 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).…

  12. Theoretical prediction of pullout strengths for dental and orthopaedic screws with conical profile and buttress threads.

    Science.gov (United States)

    Shih, Kao-Shang; Hou, Sheng-Mou; Lin, Shang-Chih

    2017-12-01

    The pullout strength of a screw is an indicator of how secure bone fragments are being held in place. Such bone-purchasing ability is sensitive to bone quality, thread design, and the pilot hole, and is often evaluated by experimental and numerical methods. Historically, there are some mathematical formulae to simulate the screw withdrawal from the synthetic bone. There are great variations in screw specifications. However, extensive investigation of the correlation between experimental and analytical results has not been reported in literature. Referring to the literature formulae, this study aims to evaluate the differences in the calculated pullout strengths. The pullout tests of the surgical screws are measured and the sawbone is used as the testing block. The absolute errors and correlation coefficients of the experimental and analytical results are calculated as the comparison baselines of the formulae. The absolute error of the dental, traumatic, and spinal groups are 21.7%, 95.5%, and 37.0%, respectively. For the screws with a conical profile and/or tiny threads, the calculated and measured results are not well correlated. The formulae are not accurate indicators of the pullout strengths of the screws where the design parameters are slightly varied. However, the experimental and numerical results are highly correlated for the cylindrical screws. The pullout strength of a conical screw is higher than that of its counterpart, but all formulae consistently predict the opposite results. In general, the bony purchase of the buttress threads is securer than that of the symmetric thread. An absolute error of up to 51.4% indicates the theoretical results cannot predict the actual value of the pullout strength. Only thread diameter, pitch, and depth are considered in the investigated formulae. The thread profile and shape should be formulated to modify the slippage mechanism at the bone-screw interfaces and simulate the strength change in the squeezed bones

  13. Predicting treatment noncompliance among criminal justice-mandated clients: a theoretical and empirical exploration.

    Science.gov (United States)

    Sung, Hung-En; Belenko, Steven; Feng, Li; Tabachnick, Carrie

    2004-01-01

    Compliance with therapeutic regimens constitutes an important but infrequently studied precursor of treatment engagement and is a necessary condition of successful treatment. This study builds on recent treatment process research and provides a theory-driven analysis of treatment compliance. Five hypotheses are formulated to predict treatment noncompliance among criminal justice-mandated clients. These hypotheses tap different determinants of treatment progress, including physical prime, supportive social network, conventional social involvement, treatment motivation, and risk-taking propensity. Data from 150 addicted felons participating in a diversion program are analyzed to test the hypotheses. Predictors related to these hypotheses correctly identify 58% of the fully compliant clients and 55-88% of the noncompliant clients. Most hypotheses are at least partially corroborated and a few strong correlates emerge across analyses. Clients in their physical prime, those with poorer social support, and those lacking internal desires for change were found especially likely to violate treatment program rules. Clinical implications are discussed.

  14. The theoretical tensile strength of fcc crystals predicted from shear strength calculations

    International Nuclear Information System (INIS)

    Cerny, M; Pokluda, J

    2009-01-01

    This work presents a simple way of estimating uniaxial tensile strength on the basis of theoretical shear strength calculations, taking into account its dependence on a superimposed normal stress. The presented procedure enables us to avoid complicated and time-consuming analyses of elastic stability of crystals under tensile loading. The atomistic simulations of coupled shear and tensile deformations in cubic crystals are performed using first principles computational code based on pseudo-potentials and the plane wave basis set. Six fcc crystals are subjected to shear deformations in convenient slip systems and a special relaxation procedure controls the stress tensor. The obtained dependence of the ideal shear strength on the normal tensile stress seems to be almost linearly decreasing for all investigated crystals. Taking these results into account, the uniaxial tensile strength values in three crystallographic directions were evaluated by assuming a collapse of the weakest shear system. Calculated strengths for and loading were found to be mostly lower than previously calculated stresses related to tensile instability but rather close to those obtained by means of the shear instability analysis. On the other hand, the strengths for loading almost match the stresses related to tensile instability.

  15. Theoretical prediction of experimental jump and pull-in dynamics in a MEMS sensor

    KAUST Repository

    Ruzziconi, Laura; Lenci, Stefano; Ramini, Abdallah; Younis, Mohammad I.

    2014-01-01

    The present research study deals with an electrically actuated MEMS device. An experimental investigation is performed, via frequency sweeps in a neighbourhood of the first natural frequency. Resonant behavior is explored, with special attention devoted to jump and pull-in dynamics. A theoretical single degree-of-freedom spring-mass model is derived. Classical numerical simulations are observed to properly predict the main nonlinear features. Nevertheless, some discrepancies arise, which are particularly visible in the resonant branch. They mainly concern the practical range of existence of each attractor and the final outcome after its disappearance. These differences are likely due to disturbances, which are unavoidable in practice, but have not been included in the model. To take disturbances into account, in addition to the classical local investigations, we consider the global dynamics and explore the robustness of the obtained results by performing a dynamical integrity analysis. Our aim is that of developing an applicable confident estimate of the system response. Integrity profiles and integrity charts are built to detect the parameter range where reliability is practically strong and where it becomes weak. Integrity curves exactly follow the experimental data. They inform about the practical range of actuality. We discuss the combined use of integrity charts in the engineering design. Although we refer to a particular case-study, the approach is very general.

  16. Theoretical prediction of experimental jump and pull-in dynamics in a MEMS sensor

    KAUST Repository

    Ruzziconi, Laura

    2014-09-15

    The present research study deals with an electrically actuated MEMS device. An experimental investigation is performed, via frequency sweeps in a neighbourhood of the first natural frequency. Resonant behavior is explored, with special attention devoted to jump and pull-in dynamics. A theoretical single degree-of-freedom spring-mass model is derived. Classical numerical simulations are observed to properly predict the main nonlinear features. Nevertheless, some discrepancies arise, which are particularly visible in the resonant branch. They mainly concern the practical range of existence of each attractor and the final outcome after its disappearance. These differences are likely due to disturbances, which are unavoidable in practice, but have not been included in the model. To take disturbances into account, in addition to the classical local investigations, we consider the global dynamics and explore the robustness of the obtained results by performing a dynamical integrity analysis. Our aim is that of developing an applicable confident estimate of the system response. Integrity profiles and integrity charts are built to detect the parameter range where reliability is practically strong and where it becomes weak. Integrity curves exactly follow the experimental data. They inform about the practical range of actuality. We discuss the combined use of integrity charts in the engineering design. Although we refer to a particular case-study, the approach is very general.

  17. Enthalpy/entropy contributions to conformational KIEs: theoretical predictions and comparison with experiment.

    Science.gov (United States)

    Fong, Aaron; Meyer, Matthew P; O'Leary, Daniel J

    2013-02-18

    Previous theoretical studies of Mislow's doubly-bridged biphenyl ketone 1 and dihydrodimethylphenanthrene 2 have determined significant entropic contributions to their normal (1) and inverse (2) conformational kinetic isotope effects (CKIEs). To broaden our investigation, we have used density functional methods to characterize the potential energy surfaces and vibrational frequencies for ground and transition structures of additional systems with measured CKIEs, including [2.2]-metaparacyclophane-d (3), 1,1'-binaphthyl (4), 2,2'-dibromo-[1,1'-biphenyl]-4,4'-dicarboxylic acid (5), and the 2-(N,N,N-trimethyl)-2'-(N,N-dimethyl)-diaminobiphenyl cation (6). We have also computed CKIEs in a number of systems whose experimental CKIEs are unknown. These include analogs of 1 in which the C=O groups have been replaced with CH₂ (7), O (8), and S (9) atoms and ring-expanded variants of 2 containing CH₂ (10), O (11), S (12), or C=O (13) groups. Vibrational entropy contributes to the CKIEs in all of these systems with the exception of cyclophane 3, whose isotope effect is predicted to be purely enthalpic in origin and whose Bigeleisen-Mayer ZPE term is equivalent to DDH‡. There is variable correspondence between these terms in the other molecules studied, thus identifying additional examples of systems in which the Bigeleisen-Mayer formalism does not correlate with DH/DS dissections.

  18. Enthalpy/Entropy Contributions to Conformational KIEs: Theoretical Predictions and Comparison with Experiment

    Directory of Open Access Journals (Sweden)

    Aaron Fong

    2013-02-01

    Full Text Available Previous theoretical studies of Mislow’s doubly-bridged biphenyl ketone 1 and dihydrodimethylphenanthrene 2 have determined significant entropic contributions to their normal (1 and inverse (2 conformational kinetic isotope effects (CKIEs. To broaden our investigation, we have used density functional methods to characterize the potential energy surfaces and vibrational frequencies for ground and transition structures of additional systems with measured CKIEs, including [2.2]-metaparacyclophane-d (3, 1,1'-binaphthyl (4, 2,2'-dibromo-[1,1'-biphenyl]-4,4'-dicarboxylic acid (5, and the 2-(N,N,N-trimethyl-2'-(N,N-dimethyl-diaminobiphenyl cation (6. We have also computed CKIEs in a number of systems whose experimental CKIEs are unknown. These include analogs of 1 in which the C=O groups have been replaced with CH2 (7, O (8, and S (9 atoms and ring-expanded variants of 2 containing CH2 (10, O (11, S (12, or C=O (13 groups. Vibrational entropy contributes to the CKIEs in all of these systems with the exception of cyclophane 3, whose isotope effect is predicted to be purely enthalpic in origin and whose Bigeleisen-Mayer ZPE term is equivalent to ΔΔ H‡. There is variable correspondence between these terms in the other molecules studied, thus identifying additional examples of systems in which the Bigeleisen-Mayer formalism does not correlate with ΔH/ΔS dissections.

  19. Theoretical prediction of ion conductivity in solid state HfO2

    Science.gov (United States)

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

    2013-01-01

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

  20. Theoretical prediction of thermodynamic properties of tritiated beryllium molecules and application to ITER source term

    Energy Technology Data Exchange (ETDEWEB)

    Virot, F., E-mail: francois.virot@irsn.fr; Barrachin, M.; Souvi, S.; Cantrel, L.

    2014-10-15

    Highlights: • Standard enthalpies of formation of BeH, BeH{sub 2}, BeOH, Be(OH){sub 2} have been calculated. • The impact of hydrogen isotopy on thermodynamic properties has been shown. • Speciation in the vacuum vessel shows that the main tritiated species is tritiated steam. • Beryllium hydroxide and hydride could exist during an accidental event. - Abstract: By quantum chemistry calculations, we have evaluated the standard enthalpies of formation of some gaseous species of the Be-O-H chemical system: BeH, BeH{sub 2}, BeOH, Be(OH){sub 2} for which the values in the referenced thermodynamic databases (NIST-JANAF [1] or COACH [2]) were, due to the lack of experimental data, estimated or reported with a large uncertainty. Comparison between post-HF, DFT approaches and available experimental data allows validation of the ability of an accurate exchange-correlation functional, VSXC, to predict the thermo-chemical properties of the beryllium species of interest. Deviation of enthalpy of formation induced by changes in hydrogen isotopy has been also calculated. From these new theoretically determinated data, we have calculated the chemical speciation in conditions simulating an accident of water ingress in the vacuum vessel of ITER.

  1. A Bayesian network model for predicting aquatic toxicity mode of action using two dimensional theoretical molecular descriptors

    Energy Technology Data Exchange (ETDEWEB)

    Carriger, John F. [U.S. Environmental Protection Agency, Office of Research and Development, Gulf Ecology Division, Gulf Breeze, FL, 32561 (United States); Martin, Todd M. [U.S. Environmental Protection Agency, Office of Research and Development, Sustainable Technology Division, Cincinnati, OH, 45220 (United States); Barron, Mace G., E-mail: barron.mace@epa.gov [U.S. Environmental Protection Agency, Office of Research and Development, Gulf Ecology Division, Gulf Breeze, FL, 32561 (United States)

    2016-11-15

    Highlights: • A Bayesian network was developed to classify chemical mode of action (MoA). • The network was based on the aquatic toxicity MoA for over 1000 chemicals. • A Markov blanket algorithm selected a subset of theoretical molecular descriptors. • Sensitivity analyses found influential descriptors for classifying the MoAs. • Overall precision of the Bayesian MoA classification model was 80%. - Abstract: The mode of toxic action (MoA) has been recognized as a key determinant of chemical toxicity, but development of predictive MoA classification models in aquatic toxicology has been limited. We developed a Bayesian network model to classify aquatic toxicity MoA using a recently published dataset containing over one thousand chemicals with MoA assignments for aquatic animal toxicity. Two dimensional theoretical chemical descriptors were generated for each chemical using the Toxicity Estimation Software Tool. The model was developed through augmented Markov blanket discovery from the dataset of 1098 chemicals with the MoA broad classifications as a target node. From cross validation, the overall precision for the model was 80.2%. The best precision was for the AChEI MoA (93.5%) where 257 chemicals out of 275 were correctly classified. Model precision was poorest for the reactivity MoA (48.5%) where 48 out of 99 reactive chemicals were correctly classified. Narcosis represented the largest class within the MoA dataset and had a precision and reliability of 80.0%, reflecting the global precision across all of the MoAs. False negatives for narcosis most often fell into electron transport inhibition, neurotoxicity or reactivity MoAs. False negatives for all other MoAs were most often narcosis. A probabilistic sensitivity analysis was undertaken for each MoA to examine the sensitivity to individual and multiple descriptor findings. The results show that the Markov blanket of a structurally complex dataset can simplify analysis and interpretation by

  2. Transport and stability analyses supporting disruption prediction in high beta KSTAR plasmas

    Science.gov (United States)

    Ahn, J.-H.; Sabbagh, S. A.; Park, Y. S.; Berkery, J. W.; Jiang, Y.; Riquezes, J.; Lee, H. H.; Terzolo, L.; Scott, S. D.; Wang, Z.; Glasser, A. H.

    2017-10-01

    KSTAR plasmas have reached high stability parameters in dedicated experiments, with normalized beta βN exceeding 4.3 at relatively low plasma internal inductance li (βN/li>6). Transport and stability analyses have begun on these plasmas to best understand a disruption-free path toward the design target of βN = 5 while aiming to maximize the non-inductive fraction of these plasmas. Initial analysis using the TRANSP code indicates that the non-inductive current fraction in these plasmas has exceeded 50 percent. The advent of KSTAR kinetic equilibrium reconstructions now allows more accurate computation of the MHD stability of these plasmas. Attention is placed on code validation of mode stability using the PEST-3 and resistive DCON codes. Initial evaluation of these analyses for disruption prediction is made using the disruption event characterization and forecasting (DECAF) code. The present global mode kinetic stability model in DECAF developed for low aspect ratio plasmas is evaluated to determine modifications required for successful disruption prediction of KSTAR plasmas. Work supported by U.S. DoE under contract DE-SC0016614.

  3. Functional enrichment analyses and construction of functional similarity networks with high confidence function prediction by PFP

    Directory of Open Access Journals (Sweden)

    Kihara Daisuke

    2010-05-01

    Full Text Available Abstract Background A new paradigm of biological investigation takes advantage of technologies that produce large high throughput datasets, including genome sequences, interactions of proteins, and gene expression. The ability of biologists to analyze and interpret such data relies on functional annotation of the included proteins, but even in highly characterized organisms many proteins can lack the functional evidence necessary to infer their biological relevance. Results Here we have applied high confidence function predictions from our automated prediction system, PFP, to three genome sequences, Escherichia coli, Saccharomyces cerevisiae, and Plasmodium falciparum (malaria. The number of annotated genes is increased by PFP to over 90% for all of the genomes. Using the large coverage of the function annotation, we introduced the functional similarity networks which represent the functional space of the proteomes. Four different functional similarity networks are constructed for each proteome, one each by considering similarity in a single Gene Ontology (GO category, i.e. Biological Process, Cellular Component, and Molecular Function, and another one by considering overall similarity with the funSim score. The functional similarity networks are shown to have higher modularity than the protein-protein interaction network. Moreover, the funSim score network is distinct from the single GO-score networks by showing a higher clustering degree exponent value and thus has a higher tendency to be hierarchical. In addition, examining function assignments to the protein-protein interaction network and local regions of genomes has identified numerous cases where subnetworks or local regions have functionally coherent proteins. These results will help interpreting interactions of proteins and gene orders in a genome. Several examples of both analyses are highlighted. Conclusion The analyses demonstrate that applying high confidence predictions from PFP

  4. MERGERS IN ΛCDM: UNCERTAINTIES IN THEORETICAL PREDICTIONS AND INTERPRETATIONS OF THE MERGER RATE

    International Nuclear Information System (INIS)

    Hopkins, Philip F.; Bundy, Kevin; Wetzel, Andrew; Ma, Chung-Pei; Croton, Darren; Khochfar, Sadegh; Hernquist, Lars; Genel, Shy; Van den Bosch, Frank; Somerville, Rachel S.; Keres, Dusan; Stewart, Kyle; Younger, Joshua D.

    2010-01-01

    Different theoretical methodologies lead to order-of-magnitude variations in predicted galaxy-galaxy merger rates. We examine how this arises and quantify the dominant uncertainties. Modeling of dark matter and galaxy inspiral/merger times contribute factor of ∼2 uncertainties. Different estimates of the halo-halo merger rate, the subhalo 'destruction' rate, and the halo merger rate with some dynamical friction time delay for galaxy-galaxy mergers, agree to within this factor of ∼2, provided proper care is taken to define mergers consistently. There are some caveats: if halo/subhalo masses are not appropriately defined the major-merger rate can be dramatically suppressed, and in models with 'orphan' galaxies and under-resolved subhalos the merger timescale can be severely over-estimated. The dominant differences in galaxy-galaxy merger rates between models owe to the treatment of the baryonic physics. Cosmological hydrodynamic simulations without strong feedback and some older semi-analytic models (SAMs), with known discrepancies in mass functions, can be biased by large factors (∼5) in predicted merger rates. However, provided that models yield a reasonable match to the total galaxy mass function, the differences in properties of central galaxies are sufficiently small to alone contribute small (factor of ∼1.5) additional systematics to merger rate predictions. But variations in the baryonic physics of satellite galaxies in models can also have a dramatic effect on merger rates. The well-known problem of satellite 'over-quenching' in most current SAMs-whereby SAM satellite populations are too efficiently stripped of their gas-could lead to order-of-magnitude under-estimates of merger rates for low-mass, gas-rich galaxies. Models in which the masses of satellites are fixed by observations (or SAMs adjusted to resolve this 'over-quenching') tend to predict higher merger rates, but with factor of ∼2 uncertainties stemming from the uncertainty in those

  5. Predictive analyses of flow-induced vibration and fretting wear in steam generator tubes

    International Nuclear Information System (INIS)

    Axisa, F.

    1989-01-01

    Maintaining the service life of PWR steam generators under highly reliable conditions requires a complex design to prevent various damaging processes, including those related to flow induced vibration. Predictive analyses have to rely on numerical tools to compute the vibratory response of multi-supported tubes in association with experimental data and semi-empirical relationships for quantifying flow-induced excitation mechanisms and tube damaging processes. In the presence of loose supports tube dynamics becomes highly nonlinear in nature. To deal with such problems CEA and FRAMATOME developed a computer program called GERBOISE. This paper provides a short description of an experimental program currently in progress at CEN Saclay to validate the numerical methods implemented in GERBOISE. According to the results obtained so far reasonable agreement is obtained between experiment and numerical simulation, especially as averaged quantities are concerned

  6. Interactions between risk factors in the prediction of onset of eating disorders: Exploratory hypothesis generating analyses.

    Science.gov (United States)

    Stice, Eric; Desjardins, Christopher D

    2018-06-01

    Because no study has tested for interactions between risk factors in the prediction of future onset of each eating disorder, this exploratory study addressed this lacuna to generate hypotheses to be tested in future confirmatory studies. Data from three prevention trials that targeted young women at high risk for eating disorders due to body dissatisfaction (N = 1271; M age 18.5, SD 4.2) and collected diagnostic interview data over 3-year follow-up were combined to permit sufficient power to predict onset of anorexia nervosa (AN), bulimia nervosa (BN), binge eating disorder (BED), and purging disorder (PD) using classification tree analyses, an analytic technique uniquely suited to detecting interactions. Low BMI was the most potent predictor of AN onset, and body dissatisfaction amplified this relation. Overeating was the most potent predictor of BN onset, and positive expectancies for thinness and body dissatisfaction amplified this relation. Body dissatisfaction was the most potent predictor of BED onset, and overeating, low dieting, and thin-ideal internalization amplified this relation. Dieting was the most potent predictor of PD onset, and negative affect and positive expectancies for thinness amplified this relation. Results provided evidence of amplifying interactions between risk factors suggestive of cumulative risk processes that were distinct for each disorder; future confirmatory studies should test the interactive hypotheses generated by these analyses. If hypotheses are confirmed, results may allow interventionists to target ultra high-risk subpopulations with more intensive prevention programs that are uniquely tailored for each eating disorder, potentially improving the yield of prevention efforts. Copyright © 2018 Elsevier Ltd. All rights reserved.

  7. Theoretical Prediction of Melting Relations in the Deep Mantle: the Phase Diagram Approach

    Science.gov (United States)

    Belmonte, D.; Ottonello, G. A.; Vetuschi Zuccolini, M.; Attene, M.

    2016-12-01

    Despite the outstanding progress in computer technology and experimental facilities, understanding melting phase relations in the deep mantle is still an open challenge. In this work a novel computational scheme to predict melting relations at HP-HT by a combination of first principles DFT calculations, polymer chemistry and equilibrium thermodynamics is presented and discussed. The adopted theoretical framework is physically-consistent and allows to compute multi-component phase diagrams relevant to Earth's deep interior in a broad range of P-T conditions by a convex-hull algorithm for Gibbs free energy minimisation purposely developed for high-rank simplexes. The calculated phase diagrams are in turn used as a source of information to gain new insights on the P-T-X evolution of magmas in the deep mantle, providing some thermodynamic constraints to both present-day and early Earth melting processes. High-pressure melting curves of mantle silicates are also obtained as by-product of phase diagram calculation. Application of the above method to the MgO-Al2O3-SiO2 (MAS) ternary system highlights as pressure effects are not only able to change the nature of melting of some minerals (like olivine and pyroxene) from eutectic to peritectic (and vice versa), but also simplify melting relations by drastically reducing the number of phases with a primary phase field at HP-HT conditions. It turns out that mineral phases like Majorite-Pyrope garnet and Anhydrous Phase B (Mg14Si5O24), which are often disregarded in modelling melting processes of mantle assemblages, are stable phases at solidus or liquidus conditions in a P-T range compatible with the mantle transition zone (i.e. P = 16 - 23 GPa and T = 2200 - 2700 °C) when their thermodynamic and thermophysical properties are properly assessed. Financial support to the Senior Author (D.B.) during his stay as Invited Scientist at the Institut de Physique du Globe de Paris (IPGP, Paris) is warmly acknowledged.

  8. Predictive Engineering Tools for Injection-Molded Long-Carbon-Thermoplastic Composites: Weight and Cost Analyses

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Ba Nghiep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Fifield, Leonard S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gandhi, Umesh N. [Toyota Research Inst. North America, Ann Arbor, MI (United States); Mori, Steven [MAGNA Exteriors and Interiors Corporation, Aurora, ON (Canada); Wollan, Eric J. [PlastiComp, Inc., Winona, MN (United States)

    2016-08-01

    This project proposed to integrate, optimize and validate the fiber orientation and length distribution models previously developed and implemented in the Autodesk Simulation Moldflow Insight (ASMI) package for injection-molded long-carbon-fiber thermoplastic composites into a cohesive prediction capability. The current effort focused on rendering the developed models more robust and efficient for automotive industry part design to enable weight savings and cost reduction. The project goal has been achieved by optimizing the developed models, improving and integrating their implementations in ASMI, and validating them for a complex 3D LCF thermoplastic automotive part (Figure 1). Both PP and PA66 were used as resin matrices. After validating ASMI predictions for fiber orientation and fiber length for this complex part against the corresponding measured data, in collaborations with Toyota and Magna PNNL developed a method using the predictive engineering tool to assess LCF/PA66 complex part design in terms of stiffness performance. Structural three-point bending analyses of the complex part and similar parts in steel were then performed for this purpose, and the team has then demonstrated the use of stiffness-based complex part design assessment to evaluate weight savings relative to the body system target (≥ 35%) set in Table 2 of DE-FOA-0000648 (AOI #1). In addition, starting from the part-to-part analysis, the PE tools enabled an estimated weight reduction for the vehicle body system using 50 wt% LCF/PA66 parts relative to the current steel system. Also, from this analysis an estimate of the manufacturing cost including the material cost for making the equivalent part in steel has been determined and compared to the costs for making the LCF/PA66 part to determine the cost per “saved” pound.

  9. Structural Dynamic Analyses And Test Predictions For Spacecraft Structures With Non-Linearities

    Science.gov (United States)

    Vergniaud, Jean-Baptiste; Soula, Laurent; Newerla, Alfred

    2012-07-01

    The overall objective of the mechanical development and verification process is to ensure that the spacecraft structure is able to sustain the mechanical environments encountered during launch. In general the spacecraft structures are a-priori assumed to behave linear, i.e. the responses to a static load or dynamic excitation, respectively, will increase or decrease proportionally to the amplitude of the load or excitation induced. However, past experiences have shown that various non-linearities might exist in spacecraft structures and the consequences of their dynamic effects can significantly affect the development and verification process. Current processes are mainly adapted to linear spacecraft structure behaviour. No clear rules exist for dealing with major structure non-linearities. They are handled outside the process by individual analysis and margin policy, and analyses after tests to justify the CLA coverage. Non-linearities can primarily affect the current spacecraft development and verification process on two aspects. Prediction of flights loads by launcher/satellite coupled loads analyses (CLA): only linear satellite models are delivered for performing CLA and no well-established rules exist how to properly linearize a model when non- linearities are present. The potential impact of the linearization on the results of the CLA has not yet been properly analyzed. There are thus difficulties to assess that CLA results will cover actual flight levels. Management of satellite verification tests: the CLA results generated with a linear satellite FEM are assumed flight representative. If the internal non- linearities are present in the tested satellite then there might be difficulties to determine which input level must be passed to cover satellite internal loads. The non-linear behaviour can also disturb the shaker control, putting the satellite at risk by potentially imposing too high levels. This paper presents the results of a test campaign performed in

  10. Breaking the theoretical scaling limit for predicting quasiparticle energies: the stochastic GW approach.

    Science.gov (United States)

    Neuhauser, Daniel; Gao, Yi; Arntsen, Christopher; Karshenas, Cyrus; Rabani, Eran; Baer, Roi

    2014-08-15

    We develop a formalism to calculate the quasiparticle energy within the GW many-body perturbation correction to the density functional theory. The occupied and virtual orbitals of the Kohn-Sham Hamiltonian are replaced by stochastic orbitals used to evaluate the Green function G, the polarization potential W, and, thereby, the GW self-energy. The stochastic GW (sGW) formalism relies on novel theoretical concepts such as stochastic time-dependent Hartree propagation, stochastic matrix compression, and spatial or temporal stochastic decoupling techniques. Beyond the theoretical interest, the formalism enables linear scaling GW calculations breaking the theoretical scaling limit for GW as well as circumventing the need for energy cutoff approximations. We illustrate the method for silicon nanocrystals of varying sizes with N_{e}>3000 electrons.

  11. Relating system-to-CFD coupled code analyses to theoretical framework of a multi-scale method

    International Nuclear Information System (INIS)

    Cadinu, F.; Kozlowski, T.; Dinh, T.N.

    2007-01-01

    Over past decades, analyses of transient processes and accidents in a nuclear power plant have been performed, to a significant extent and with a great success, by means of so called system codes, e.g. RELAP5, CATHARE, ATHLET codes. These computer codes, based on a multi-fluid model of two-phase flow, provide an effective, one-dimensional description of the coolant thermal-hydraulics in the reactor system. For some components in the system, wherever needed, the effect of multi-dimensional flow is accounted for through approximate models. The later are derived from scaled experiments conducted for selected accident scenarios. Increasingly, however, we have to deal with newer and ever more complex accident scenarios. In some such cases the system codes fail to serve as simulation vehicle, largely due to its deficient treatment of multi-dimensional flow (in e.g. downcomer, lower plenum). A possible way of improvement is to use the techniques of Computational Fluid Dynamics (CFD). Based on solving Navier-Stokes equations, CFD codes have been developed and used, broadly, to perform analysis of multi-dimensional flow, dominantly in non-nuclear industry and for single-phase flow applications. It is clear that CFD simulations can not substitute system codes but just complement them. Given the intrinsic multi-scale nature of this problem, we propose to relate it to the more general field of research on multi-scale simulations. Even though multi-scale methods are developed on case-by-case basis, the need for a unified framework brought to the development of the heterogeneous multi-scale method (HMM)

  12. Intrasubject Predictions of Vocational Preference: Convergent Validation via the Decision Theoretic Paradigm.

    Science.gov (United States)

    Monahan, Carlyn J.; Muchinsky, Paul M.

    1985-01-01

    The degree of convergent validity among four methods of identifying vocational preferences is assessed via the decision theoretic paradigm. Vocational preferences identified by Holland's Vocational Preference Inventory (VPI), a rating procedure, and ranking were compared with preferences identified from a policy-capturing model developed from an…

  13. Predicting Freshman Persistence and Voluntary Dropout Decisions from a Theoretical Model.

    Science.gov (United States)

    Pascarella, Ernest T.; Terenzini, Patrick T.

    1980-01-01

    A five-scale instrument developed from a theoretical model of college attrition correctly identified the persistence/voluntary withdrawal decisions of 78.5 percent of 773 freshmen in a large, residential university. Findings showed that student relationships with faculty were particularly important. (Author/PHR)

  14. A theoretical model for prediction of deposition efficiency in cold spraying

    International Nuclear Information System (INIS)

    Li Changjiu; Li Wenya; Wang Yuyue; Yang Guanjun; Fukanuma, H.

    2005-01-01

    The deposition behavior of a spray particle stream with a particle size distribution was theoretically examined for cold spraying in terms of deposition efficiency as a function of particle parameters and spray angle. The theoretical relation was established between the deposition efficiency and spray angle. The experiments were conducted by measuring deposition efficiency at different driving gas conditions and different spray angles using gas-atomized copper powder. It was found that the theoretically estimated results agreed reasonably well with the experimental ones. Based on the theoretical model and experimental results, it was revealed that the distribution of particle velocity resulting from particle size distribution influences significantly the deposition efficiency in cold spraying. It was necessary for the majority of particles to achieve a velocity higher than the critical velocity in order to improve the deposition efficiency. The normal component of particle velocity contributed to the deposition of the particle under the off-nomal spray condition. The deposition efficiency of sprayed particles decreased owing to the decrease of the normal velocity component as spray was performed at off-normal angle

  15. Monitoring and predicting crop growth and analysing agricultural ecosystems by remote sensing

    Directory of Open Access Journals (Sweden)

    Tsuyoshi Akiyama

    1996-05-01

    Full Text Available LANDSAT/TM data, which are characterized by high spectral/spatial resolutions, are able to contribute to practical agricultural management. In the first part of the paper, the authors review some recent applications of satellite remote sensing in agriculture. Techniques for crop discrimination and mapping have made such rapid progress that we can classify crop types with more than 80% accuracy. The estimation of crop biomass using satellite data, including leaf area, dry and fresh weights, and the prediction of grain yield, has been attempted using various spectral vegetation indices. Plant stresses caused by nutrient deficiency and water deficit have also been analysed successfully. Such information may be useful for farm management. In the latter half of the paper, we introduce the Arctic Science Project, which was carried out under the Science and Technology Agency of Japan collaborating with Finnish scientists. In this project, monitoring of the boreal forest was carried out using LANDSAT data. Changes in the phenology of subarctic ground vegetation, based on spectral properties, were measured by a boom-mounted, four-band spectroradiometer. The turning point dates of the seasonal near-infrared (NIR and red (R reflectance factors might indicate the end of growth and the beginning of autumnal tints, respectively.

  16. Theoretical Predictions of Springing and Their Comparison with Full Scale Measurements

    DEFF Research Database (Denmark)

    Gu, X.; Storhaug, G.; Vidic-Perunovic, Jelena

    2003-01-01

    The present paper considers a large ocean going ship with significant springing responses, which have made a large contribution to the fatigue cracking for certain structural details. Four different theories for predicting ship responses and associated computer programs for predictions of springing...

  17. What predicts depression in cardiac patients: Sociodemographic factors, disease severity or theoretical vulnerabilities?

    OpenAIRE

    Doyle, Frank; McGee, Hannah; Conroy, Ronán; Delaney, Mary

    2011-01-01

    Depression is associated with increased cardiovascular risk in patients with acute coronary syndrome (ACS), but some argue that elevated depression is actually a marker of cardiovascular disease severity. Therefore, disease indices should be better predictors of depression than established theoretical causes of depression (interpersonal life events, reinforcing events, cognitive distortions, type D personality). However, little theory-based research has been conducted in this area. In a cross...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-05-02

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

  19. Theoretical analyses of (n,xn) reactions on sup 235 U, sup 238 U, sup 237 Np, and sup 239 Pu for ENDF/B-VI

    Energy Technology Data Exchange (ETDEWEB)

    Young, P.G.; Arthur, E.D.

    1991-01-01

    Theoretical analyses were performed of neutron-induced reactions on {sup 235}U, {sup 238}U, {sup 237}Np, and {sup 239}Pu between 0.01 and 20 MeV in order to calculate neutron emission cross sections and spectra for ENDF/B-VI evaluations. Coupled-channel optical model potentials were obtained for each target nucleus by fitting total, elastic, and inelastic scattering cross section data, as well as low-energy average resonance data. The resulting deformed optical model potentials were used to calculate direct (n,n{prime}) cross sections and transmission coefficients for use in Hauser-Feshbach statistical theory analyses. A fission model with multiple barrier representation, width fluctuation corrections, and preequilibrium corrections were included in the analyses. Direct cross sections for higher-lying vibrational states were calculated using DWBA theory, normalized using B(E{ell}) values determined from (d,d{prime}) and Coulomb excitation data, where available, and from systematics otherwise. Initial fission barrier parameters and transition state density enhancements appropriate to the compound systems involved were obtained from previous analyses, especially fits to charged-particle fission probability data. The parameters for the fission model were adjusted for each target system to obtain optimum agreement with direct (n,f) cross section measurements, taking account of the various multichance fission channels, that is, the different compound systems involved. The results from these analyses were used to calculate most of the neutron (n,n), (n,n{prime}), and (n,xn) cross section data in the ENDF/B/VI evaluations for the above nuclei, and all of the energy-angle correlated spectra. The deformed optical model and fission model parameterizations are described. Comparisons are given between the results of these analyses and the previous ENDF/B-V evaluations as well as with the available experimental data. 14 refs., 3 figs., 1 tab.

  20. Prediction of the dollar to the ruble rate. A system-theoretic approach

    Science.gov (United States)

    Borodachev, Sergey M.

    2017-07-01

    Proposed a simple state-space model of dollar rate formation based on changes in oil prices and some mechanisms of money transfer between monetary and stock markets. Comparison of predictions by means of input-output model and state-space model is made. It concludes that with proper use of statistical data (Kalman filter) the second approach provides more adequate predictions of the dollar rate.

  1. Information-Theoretic Evidence for Predictive Coding in the Face-Processing System.

    Science.gov (United States)

    Brodski-Guerniero, Alla; Paasch, Georg-Friedrich; Wollstadt, Patricia; Özdemir, Ipek; Lizier, Joseph T; Wibral, Michael

    2017-08-23

    Predictive coding suggests that the brain infers the causes of its sensations by combining sensory evidence with internal predictions based on available prior knowledge. However, the neurophysiological correlates of (pre)activated prior knowledge serving these predictions are still unknown. Based on the idea that such preactivated prior knowledge must be maintained until needed, we measured the amount of maintained information in neural signals via the active information storage (AIS) measure. AIS was calculated on whole-brain beamformer-reconstructed source time courses from MEG recordings of 52 human subjects during the baseline of a Mooney face/house detection task. Preactivation of prior knowledge for faces showed as α-band-related and β-band-related AIS increases in content-specific areas; these AIS increases were behaviorally relevant in the brain's fusiform face area. Further, AIS allowed decoding of the cued category on a trial-by-trial basis. Our results support accounts indicating that activated prior knowledge and the corresponding predictions are signaled in low-frequency activity (information our eyes/retina and other sensory organs receive from the outside world, but strongly depends also on information already present in our brains, such as prior knowledge about specific situations or objects. A currently popular theory in neuroscience, predictive coding theory, suggests that this prior knowledge is used by the brain to form internal predictions about upcoming sensory information. However, neurophysiological evidence for this hypothesis is rare, mostly because this kind of evidence requires strong a priori assumptions about the specific predictions the brain makes and the brain areas involved. Using a novel, assumption-free approach, we find that face-related prior knowledge and the derived predictions are represented in low-frequency brain activity. Copyright © 2017 the authors 0270-6474/17/378273-11$15.00/0.

  2. A theoretical model to predict customer satisfaction in relation to service quality in selected university libraries in Sri Lanka

    Directory of Open Access Journals (Sweden)

    Chaminda Jayasundara

    2009-01-01

    Full Text Available University library administrators in Sri Lanka have begun to search for alternative ways to satisfy their clientele on the basis of service quality. This article aims at providing a theoretical model to facilitate the identification of service quality attributes and domains that may be used to predict customer satisfaction from a service quality perspective. The effectiveness of existing service quality models such as LibQUAL, SERVQUAL and SERVPREF have been questioned. In that regard, this study developed a theoretical model for academic libraries in Sri Lanka based on the disconfirmation and performance-only paradigms. These perspectives were considered by researchers to be the core mechanism to develop service quality/customer satisfaction models. The attributes and domain identification of service quality was carried out with a stratified sample of 263 participants selected from postgraduate and undergraduate students and academic staff members from the faculties of Arts in four universities in Sri Lanka. The study established that responsiveness, supportiveness, building environment, collection and access, furniture and facilities, technology, Web services and service delivery were quality domains which can be used to predict customer satisfaction. The theoretical model is unique in its domain structure compared to the existing models. The model needs to be statistically tested to make it valid and parsimonious.

  3. Predicting behavior change from persuasive messages using neural representational similarity and social network analyses.

    Science.gov (United States)

    Pegors, Teresa K; Tompson, Steven; O'Donnell, Matthew Brook; Falk, Emily B

    2017-08-15

    Neural activity in medial prefrontal cortex (MPFC), identified as engaging in self-related processing, predicts later health behavior change. However, it is unknown to what extent individual differences in neural representation of content and lived experience influence this brain-behavior relationship. We examined whether the strength of content-specific representations during persuasive messaging relates to later behavior change, and whether these relationships change as a function of individuals' social network composition. In our study, smokers viewed anti-smoking messages while undergoing fMRI and we measured changes in their smoking behavior one month later. Using representational similarity analyses, we found that the degree to which message content (i.e. health, social, or valence information) was represented in a self-related processing MPFC region was associated with later smoking behavior, with increased representations of negatively valenced (risk) information corresponding to greater message-consistent behavior change. Furthermore, the relationship between representations and behavior change depended on social network composition: smokers who had proportionally fewer smokers in their network showed increases in smoking behavior when social or health content was strongly represented in MPFC, whereas message-consistent behavior (i.e., less smoking) was more likely for those with proportionally more smokers in their social network who represented social or health consequences more strongly. These results highlight the dynamic relationship between representations in MPFC and key outcomes such as health behavior change; a complete understanding of the role of MPFC in motivation and action should take into account individual differences in neural representation of stimulus attributes and social context variables such as social network composition. Copyright © 2017 Elsevier Inc. All rights reserved.

  4. Theoretical prediction of the structural properties of uranium chalcogenides under high pressure

    Science.gov (United States)

    Kapoor, Shilpa; Yaduvanshi, Namrata; Singh, Sadhna

    2018-05-01

    Uranium chalcogenides crystallize in rock salt structure at normal condition and transform to Cesium Chloride structure at high pressure. We have investigated the transition pressure and volume drop of USe and UTe using three body potential model (TBIP). Present model includes long range Columbic, three body interaction forces and short range overlap forces operative up to next nearest neighbors. We have reported the phase transition pressure, relative volume collapses, the thermo physical properties such as molecular force constant (f), infrared absorption frequency (v0), Debye temperature (θD) and Gruneisen parameter (γ) of present chalcogenides and found that our results in general good agreement with experimental and other theoretical data.

  5. Critical comparison of experimental data and theoretical predictions for N-d scattering below the breakup threshold

    Energy Technology Data Exchange (ETDEWEB)

    Kievsky, A. [Istituto Nazionale di Fisica Nucleare, Pisa (Italy); Rosati, S. [Istituto Nazionale di Fisica Nucleare, Pisa (Italy)]|[Pisa Univ. (Italy). Dipt. di Fisica; Tornow, W. [Duke Univ., Durham, NC (United States). Dept. of Physics; Viviani, M. [Istituto Nazionale di Fisica Nucleare, Pisa (Italy)

    1996-09-30

    The theoretical approaches for studying N-d processes using realistic, semi-phenomenological NN potentials have matured considerably during the last few years. Accurate calculations of scattering observables are now feasible. Recently, high-quality measurements of N-d scattering at energies below the deuteron breakup threshold became available. Therefore, a detailed comparison between theory and experimental data can now be performed. In this paper the various sets of experimental data for the N-d differential cross section, and the vector and tensor analyzing powers are examined in a critical way in the incident nucleon energy range from 1 to 3 MeV. In order to identify possible inadequacies of the interaction models adopted, phase-shift analyses were performed and compared to the theoretical parameters. (orig.).

  6. A theoretical model predicting the intensity of emitted light per unit of x-ray exposure in radiographic screens

    Energy Technology Data Exchange (ETDEWEB)

    Tsoukos, S; Kateris, A; Kalivas, N; Spyrou, G; Panayiotakis, G [Department of Medical Physics, School of Medicine, University of Patras, 265 00 pAtras (Greece); Kandarakis, I; Gavouras, D [Department of Medical Instrumentation Technology, Technological Educational Institution of Athens (Greece)

    1999-12-31

    A theoretical model predicting the intensity of light emitted by x-ray imaging phosphor screens per unit of area and time over incident x-ray flux (absolute efficiency) was developed. The model takes into account : A) the structure of the screens which consists of luminescent grains embedded in a binding matrix. B) the direct deposition of energy by x-ray absorption effects.. C) the re-absorption of K fluorescence characteristic x-rays produced when the x-ray energy exceeds the energy of the K absorption edge of the phosphor material. To test the model a set of (Gd,La)2O2S:Tb phosphor screens was prepared by sedimentation in the laboratory. Experimental absolute efficiency data were obtained at x-ray tube voltage range from 40 to 160 kVp. The coincidence between experimental and theoretical results were satisfactory. (authors) 7 refs., 4 figs.

  7. Development of Simple Drying Model for Performance Prediction of Solar Dryer: Theoretical Analysis

    DEFF Research Database (Denmark)

    Singh, Shobhana; Kumar, Subodh

    2012-01-01

    An analytical moisture diffusion model which considers the influence of external resistance to mass transfer is developed to predict thermal performance of dryer system. The moisture diffusion coefficient, Deff that is necessary to evaluate the prediction model has been determined in terms...... of experimental drying parameters. A laboratory model of mixed-mode solar dryer system is tested with cylindrical potato samples of thickness 5 and 18 mm under simulated indoor conditions. The potato samples were dried at a constant absorbed thermal energy of 750 W/m2 and air mass flow rate of 0.011 kg...

  8. Hierarchical Theoretical Methods for Understanding and Predicting Anisotropic Thermal Transport Release in Rocket Propellant Formulations

    Science.gov (United States)

    2016-12-08

    University of Illinois at Urbana-Champaign Michael Ortiz, Frank and Ora Lee Marble Professor of Aeronautics and Mechanical Engineering, California...combustion • Formalism and constitutive theory used to describe reactants and their products that reflect the underlying material mechanics and physical...carried out for energetic materials to predict thermo- mechanical and transport properties, phase diagrams, and interfacial structure. Mesoscopic models

  9. Communication: Theoretical prediction of free-energy landscapes for complex self-assembly

    Energy Technology Data Exchange (ETDEWEB)

    Jacobs, William M.; Reinhardt, Aleks; Frenkel, Daan [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2015-01-14

    We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity of the target assembly. By considering the designed interactions separately from weaker, incidental interactions, our approach yields predictions for the equilibrium yield and nucleation barriers. These predictions are in good agreement with corresponding Monte Carlo simulations. We show that a few fundamental properties of the connectivity graph determine the most prominent features of the assembly thermodynamics. Surprisingly, we find that polydispersity in the strengths of the designed interactions stabilizes intermediate structures and can be used to sculpt the free-energy landscape for self-assembly. Finally, we demonstrate that weak incidental interactions can preclude assembly at equilibrium due to the combinatorial possibilities for incorrect association.

  10. Theoretical prediction of low-density hexagonal ZnO hollow structures

    Energy Technology Data Exchange (ETDEWEB)

    Tuoc, Vu Ngoc, E-mail: tuoc.vungoc@hust.edu.vn [Institute of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet Road, Hanoi (Viet Nam); Huan, Tran Doan [Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269-3136 (United States); Thao, Nguyen Thi [Institute of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet Road, Hanoi (Viet Nam); Hong Duc University, 307 Le Lai, Thanh Hoa City (Viet Nam); Tuan, Le Manh [Hong Duc University, 307 Le Lai, Thanh Hoa City (Viet Nam)

    2016-10-14

    Along with wurtzite and zinc blende, zinc oxide (ZnO) has been found in a large number of polymorphs with substantially different properties and, hence, applications. Therefore, predicting and synthesizing new classes of ZnO polymorphs are of great significance and have been gaining considerable interest. Herein, we perform a density functional theory based tight-binding study, predicting several new series of ZnO hollow structures using the bottom-up approach. The geometry of the building blocks allows for obtaining a variety of hexagonal, low-density nanoporous, and flexible ZnO hollow structures. Their stability is discussed by means of the free energy computed within the lattice-dynamics approach. Our calculations also indicate that all the reported hollow structures are wide band gap semiconductors in the same fashion with bulk ZnO. The electronic band structures of the ZnO hollow structures are finally examined in detail.

  11. What roles do errors serve in motor skill learning? An examination of two theoretical predictions.

    Science.gov (United States)

    Sanli, Elizabeth A; Lee, Timothy D

    2014-01-01

    Easy-to-difficult and difficult-to-easy progressions of task difficulty during skill acquisition were examined in 2 experiments that assessed retention, dual-task, and transfer tests of learning. Findings of the first experiment suggest that an easy-to difficult progression did not consistently induce implicit learning processes and was not consistently beneficial to performance under a secondary-task load. The findings of experiment two did not support the predictions made based on schema theory and only partially supported predictions based on reinvestment theory. The authors interpret these findings to suggest that the timing of error in relation to the difficulty of the task (functional task difficulty) plays a role in the transfer of learning to novel versions of a task.

  12. Testing a Theoretical Model Predicting Uncertainty and Depression in Patients Undergoing Renal Replacement Therapy in Korea

    Directory of Open Access Journals (Sweden)

    Heeyoung Lee, PhD, APRN

    2008-06-01

    Conclusion: The effectiveness of social support in relieving experiences of uncertainty and consequently depression was shown in this study. Moreover, depression in this population could be predicted by direct social support, economic status, and frequency of admission. The study was needed to investigate the relationship between depression and experiences of uncertainty with time covariates, as well as to find the factors that influence depression in patients with chronic renal failure.

  13. Predicting cyberbullying perpetration in emerging adults: A theoretical test of the Barlett Gentile Cyberbullying Model.

    Science.gov (United States)

    Barlett, Christopher; Chamberlin, Kristina; Witkower, Zachary

    2017-04-01

    The Barlett and Gentile Cyberbullying Model (BGCM) is a learning-based theory that posits the importance of positive cyberbullying attitudes predicting subsequent cyberbullying perpetration. Furthermore, the tenants of the BGCM state that cyberbullying attitude are likely to form when the online aggressor believes that the online environment allows individuals of all physical sizes to harm others and they are perceived as anonymous. Past work has tested parts of the BGCM; no study has used longitudinal methods to examine this model fully. The current study (N = 161) employed a three-wave longitudinal design to test the BGCM. Participants (age range: 18-24) completed measures of the belief that physical strength is irrelevant online and anonymity perceptions at Wave 1, cyberbullying attitudes at Wave 2, and cyberbullying perpetration at Wave 3. Results showed strong support for the BGCM: anonymity perceptions and the belief that physical attributes are irrelevant online at Wave 1 predicted Wave 2 cyberbullying attitudes, which predicted subsequent Wave 3 cyberbullying perpetration. These results support the BGCM and are the first to show empirical support for this model. Aggr. Behav. 43:147-154, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  14. Criteria for prediction of plastic instabilities for hot working processes. (Part I: Theoretical review)

    International Nuclear Information System (INIS)

    Al Omar, A.; Prado, J. M.

    2010-01-01

    Hot working processes often induce high levels of deformation at high strain rates, and impose very complex multiaxial modes of solicitation. These processes are essentially limited by apparition and development of plastic instabilities. These may be the direct cause of rapid crack propagation, which lead to a possible final rupture. The complexity of deformation modes and the simultaneous intervention of several parameters have led many researchers to develop various criteria, with different approaches, to predict the occurrence of defects and to optimize process control parameters. The aim of the present paper is to summarize the general characteristics of some instability criteria, widely used in the literature, for the prediction of plastic instabilities during hot working. It was considered appropriate to divide the work into two parts: part I presents the phenomenological criteria for the prediction of plastic instabilities, based on descriptive observation of microscopic phenomena of the deformation (strain hardening and strain rate sensitivity), and discusses the continuum criteria based on the principle of maximum rate of entropy production of irreversible thermodynamics applied to continuum mechanics of large plastic flow. Also, this part provides a bibliographical discussion among several authors with regard to the physical foundations of dynamic materials model. In part II, of the work, a comparative study has been carried out to characterize the flow instability during a hot working process of a medium carbon microalloyed using phenomenological and continuum criteria. (Author) 83 refs.

  15. Theoretical pKa prediction of the α-phosphate moiety of uridine 5‧-diphosphate-GlcNAc

    Science.gov (United States)

    Vipperla, Bhavaniprasad; Griffiths, Thomas M.; Wang, Xingyong; Yu, Haibo

    2017-01-01

    The pKa value of the α-phosphate moiety of uridine 5‧-diphosphate-GlcNAc (UDP-GlcNAc) has been successfully calculated using density functional theory methods in conjunction with the Polarizable Continuum Models. Theoretical methods were benchmarked over a dataset comprising of alkyl phosphates. B3LYP/6-31+G(d,p) calculations using SMD solvation model provide excellent agreement with the experimental data. The predicted pKa for UDP-GlcNAc is consistent with most recent NMR studies but much higher than what it has long been thought to be. The importance of this study is evident that the predicted pKa for UDP-GlcNAc supports its potential role as a catalytic base in the substrate-assisted biocatalysis.

  16. Predictive Genomic Analyses Inform the Basis for Vitamin Metabolism and Provisioning in Bacteria-Arthropod Endosymbioses.

    Science.gov (United States)

    Serbus, Laura R; Rodriguez, Brian Garcia; Sharmin, Zinat; Momtaz, A J M Zehadee; Christensen, Steen

    2017-06-07

    The requirement of vitamins for core metabolic processes creates a unique set of pressures for arthropods subsisting on nutrient-limited diets. While endosymbiotic bacteria carried by arthropods have been widely implicated in vitamin provisioning, the underlying molecular mechanisms are not well understood. To address this issue, standardized predictive assessment of vitamin metabolism was performed in 50 endosymbionts of insects and arachnids. The results predicted that arthropod endosymbionts overall have little capacity for complete de novo biosynthesis of conventional or active vitamin forms. Partial biosynthesis pathways were commonly predicted, suggesting a substantial role in vitamin provisioning. Neither taxonomic relationships between host and symbiont, nor the mode of host-symbiont interaction were clear predictors of endosymbiont vitamin pathway capacity. Endosymbiont genome size and the synthetic capacity of nonsymbiont taxonomic relatives were more reliable predictors. We developed a new software application that also predicted that last-step conversion of intermediates into active vitamin forms may contribute further to vitamin biosynthesis by endosymbionts. Most instances of predicted vitamin conversion were paralleled by predictions of vitamin use. This is consistent with achievement of provisioning in some cases through upregulation of pathways that were retained for endosymbiont benefit. The predicted absence of other enzyme classes further suggests a baseline of vitamin requirement by the majority of endosymbionts, as well as some instances of putative mutualism. Adaptation of this workflow to analysis of other organisms and metabolic pathways will provide new routes for considering the molecular basis for symbiosis on a comprehensive scale. Copyright © 2017 Serbus et al.

  17. Predictive Genomic Analyses Inform the Basis for Vitamin Metabolism and Provisioning in Bacteria-Arthropod Endosymbioses

    Directory of Open Access Journals (Sweden)

    Laura R. Serbus

    2017-06-01

    Full Text Available The requirement of vitamins for core metabolic processes creates a unique set of pressures for arthropods subsisting on nutrient-limited diets. While endosymbiotic bacteria carried by arthropods have been widely implicated in vitamin provisioning, the underlying molecular mechanisms are not well understood. To address this issue, standardized predictive assessment of vitamin metabolism was performed in 50 endosymbionts of insects and arachnids. The results predicted that arthropod endosymbionts overall have little capacity for complete de novo biosynthesis of conventional or active vitamin forms. Partial biosynthesis pathways were commonly predicted, suggesting a substantial role in vitamin provisioning. Neither taxonomic relationships between host and symbiont, nor the mode of host-symbiont interaction were clear predictors of endosymbiont vitamin pathway capacity. Endosymbiont genome size and the synthetic capacity of nonsymbiont taxonomic relatives were more reliable predictors. We developed a new software application that also predicted that last-step conversion of intermediates into active vitamin forms may contribute further to vitamin biosynthesis by endosymbionts. Most instances of predicted vitamin conversion were paralleled by predictions of vitamin use. This is consistent with achievement of provisioning in some cases through upregulation of pathways that were retained for endosymbiont benefit. The predicted absence of other enzyme classes further suggests a baseline of vitamin requirement by the majority of endosymbionts, as well as some instances of putative mutualism. Adaptation of this workflow to analysis of other organisms and metabolic pathways will provide new routes for considering the molecular basis for symbiosis on a comprehensive scale.

  18. Statistical significance of theoretical predictions: A new dimension in nuclear structure theories (I)

    International Nuclear Information System (INIS)

    DUDEK, J; SZPAK, B; FORNAL, B; PORQUET, M-G

    2011-01-01

    In this and the follow-up article we briefly discuss what we believe represents one of the most serious problems in contemporary nuclear structure: the question of statistical significance of parametrizations of nuclear microscopic Hamiltonians and the implied predictive power of the underlying theories. In the present Part I, we introduce the main lines of reasoning of the so-called Inverse Problem Theory, an important sub-field in the contemporary Applied Mathematics, here illustrated on the example of the Nuclear Mean-Field Approach.

  19. Theoretical prediction the removal of mercury from flue gas by MOFs

    KAUST Repository

    Liu, Yang; Li, Hailong; Liu, Jing

    2016-01-01

    Removal of mercury from flue gas has been considered as one of the hot topics in both the scientific and industrial world. Adsorption of elemental mercury (Hg) and oxidized mercury species (HgCl, HgO, and HgS) on a novel metal organic framework (MOF) material, named Mg/DOBDC, with unsaturated metal centers was investigated using density functional theory (DFT) calculations. The results show that Hg stably physi-sorbed on the unsaturated metal center (magnesium ion) of Mg/DOBDC with a binding energy (BE) of −27.5 kJ/mol. A direct interaction between Hg and magnesium ion was revealed by the partial density of state (PDOS) analysis. HgCl multi-interacts with two neighboring magnesium ions simultaneously by its Cl endings and thus resulted in strong adsorption strength (−89.0 kJ/mol). The adsorption energies of HgO and HgS on the Mg/DOBDC were as high as −117.0 kJ/mol and −169.7 kJ/mol, respectively, indicating a strong chemisorption. Theoretical calculations in this study reveal that Mg/DOBDC has the potential to serve as an efficient material for removal of mercury from flue gas.

  20. Anticipation in stuttering: A theoretical model of the nature of stutter prediction.

    Science.gov (United States)

    Garcia-Barrera, Mauricio A; Davidow, Jason H

    2015-06-01

    The fact that some people who stutter have the ability to anticipate a stuttering moment is essential for several theories of stuttering and important for maximum effectiveness of many currently used treatment techniques. The "anticipation effect," however, is poorly understood despite much investigation into this phenomenon. In the present paper, we combine (1) behavioral evidence from the stuttering-anticipation literature, (2) speech production models, and (3) models of error detection to propose a theoretical model of anticipation. Integrating evidence from theories such as Damasio's Somatic Marker Hypothesis, Levelt's Perceptual Monitoring Theory, Guenther's The Directions Into Velocities of Articulators (DIVA) model, Postma's Covert Repair Hypothesis, among others, our central thesis is that the anticipation of a stuttering moment occurs as an outcome of the interactions between previous learning experiences (i.e., learnt associations between stuttered utterances and any self-experienced or environmental consequence) and error monitoring. Possible neurological mechanisms involved in generating conscious anticipation are also discussed, along with directions for future research. The reader will be able to: (a) describe historical theories that explain how PWS may learn to anticipate stuttering; (b) state some traditional sources of evidence of anticipation in stuttering; (c) describe how PWS may be sensitive to the detection of a stuttering; (d) state some of the neural correlates that may underlie anticipation in stuttering; and (e) describe some of the possible utilities of incorporating anticipation into stuttering interventions. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction.

    Science.gov (United States)

    Lyalin, Andrey; Nakayama, Akira; Uosaki, Kohei; Taketsugu, Tetsuya

    2013-02-28

    The catalytic activity for the oxygen reduction reaction (ORR) of both the pristine and defect-possessing hexagonal boron nitride (h-BN) monolayer and H-terminated nanoribbon have been studied theoretically using density functional theory. It is demonstrated that an inert h-BN monolayer can be functionalized and become catalytically active by nitrogen doping. It is shown that the energetics of adsorption of O(2), O, OH, OOH, and H(2)O on N atom impurities in the h-BN monolayer (N(B)@h-BN) is quite similar to that known for a Pt(111) surface. The specific mechanism of destructive and cooperative adsorption of ORR intermediates on the surface point defects is discussed. It is demonstrated that accounting for entropy and zero-point energy (ZPE) corrections results in destabilization of the ORR intermediates adsorbed on N(B)@h-BN, while solvent effects lead to their stabilization. Therefore, entropy, ZPE and solvent effects partly cancel each other and have to be taken into account simultaneously. Analysis of the free energy changes along the ORR pathway allows us to suggest that a N-doped h-BN monolayer can demonstrate catalytic properties for the ORR under the condition that electron transport to the catalytically active center is provided.

  2. Theoretical prediction the removal of mercury from flue gas by MOFs

    KAUST Repository

    Liu, Yang

    2016-07-19

    Removal of mercury from flue gas has been considered as one of the hot topics in both the scientific and industrial world. Adsorption of elemental mercury (Hg) and oxidized mercury species (HgCl, HgO, and HgS) on a novel metal organic framework (MOF) material, named Mg/DOBDC, with unsaturated metal centers was investigated using density functional theory (DFT) calculations. The results show that Hg stably physi-sorbed on the unsaturated metal center (magnesium ion) of Mg/DOBDC with a binding energy (BE) of −27.5 kJ/mol. A direct interaction between Hg and magnesium ion was revealed by the partial density of state (PDOS) analysis. HgCl multi-interacts with two neighboring magnesium ions simultaneously by its Cl endings and thus resulted in strong adsorption strength (−89.0 kJ/mol). The adsorption energies of HgO and HgS on the Mg/DOBDC were as high as −117.0 kJ/mol and −169.7 kJ/mol, respectively, indicating a strong chemisorption. Theoretical calculations in this study reveal that Mg/DOBDC has the potential to serve as an efficient material for removal of mercury from flue gas.

  3. Confronting Theoretical Predictions With Experimental Data; Fitting Strategy For Multi-Dimensional Distributions

    Directory of Open Access Journals (Sweden)

    Tomasz Przedziński

    2015-01-01

    Full Text Available After developing a Resonance Chiral Lagrangian (RχL model to describe hadronic τ lepton decays [18], the model was confronted with experimental data. This was accomplished using a fitting framework which was developed to take into account the complexity of the model and to ensure the numerical stability for the algorithms used in the fitting. Since the model used in the fit contained 15 parameters and there were only three 1-dimensional distributions available, we could expect multiple local minima or even whole regions of equal potential to appear. Our methods had to thoroughly explore the whole parameter space and ensure, as well as possible, that the result is a global minimum. This paper is focused on the technical aspects of the fitting strategy used. The first approach was based on re-weighting algorithm published in [17] and produced results in around two weeks. Later approach, with improved theoretical model and simple parallelization algorithm based on Inter-Process Communication (IPC methods of UNIX system, reduced computation time down to 2-3 days. Additional approximations were introduced to the model decreasing time to obtain the preliminary results down to 8 hours. This allowed to better validate the results leading to a more robust analysis published in [12].

  4. On the theoretical aspects of improved fog detection and prediction in India

    Science.gov (United States)

    Dey, Sagnik

    2018-04-01

    The polluted Indo-Gangetic Basin (IGB) in northern India experiences fog (a condition when visibility degrades below 1 km) every winter (Dec-Jan) causing a massive loss of economy and even loss of life due to accidents. This can be minimized by improved fog detection (especially at night) and forecasting so that activities can be reorganized accordingly. Satellites detect fog at night by a positive brightness temperature difference (BTD). However, fixing the right BTD threshold holds the key to accuracy. Here I demonstrate the sensitivity of BTD in response to changes in fog and surface emissivity and their temperatures and justify a new BTD threshold. Further I quantify the dependence of critical fog droplet number concentration, NF (i.e. minimum fog concentration required to degrade visibility below 1 km) on liquid water content (LWC). NF decreases exponentially with an increase in LWC from 0.01 to 1 g/m3, beyond which it stabilizes. A 10 times low bias in simulated LWC below 1 g/m3 would require 107 times higher aerosol concentration to form the required number of fog droplets. These results provide the theoretical aspects that will help improving the existing fog detection algorithm and fog forecasting by numerical models in India.

  5. Theoretical predictions of anti-corrosive properties of THAM and its derivatives.

    Science.gov (United States)

    Malinowski, Szymon; Jaroszyńska-Wolińska, Justyna; Herbert, Tony

    2017-12-04

    We present quantum chemical theoretical estimations of the anti-corrosive properties of THAM (tris(hydroxymethyl)aminomethane) and three derivatives that differ in the number of benzene rings: THAM-1 (2-amino-3-hydroxy-2-(hydroxymethyl) propylobenzoate), THAM-2 (2-amino-2-(hydroxymetyl)prapan-1,3-diyldibenzoate) and THAM-3 (2-amino-propan-1,2,3-triyltribenzoate). Fourteen exchange-correlation functionals based on the density functional theory (DFT) were chosen for quantum chemical study of THAM derivatives. The objective was to examine the effect of benzene rings on potential anti-corrosive properties of THAM compounds. The results indicate that the addition of benzene rings in THAM derivatives is likely to significantly enhance electrostatic bonding of a THAM-based coating to a presented metal surface and, thus, its adhesion and long-term effect in corrosion inhibition. Whereas it is clear that all three derivatives appear to be superior in their bonding characteristics to pure THAM, the potential order of merit between the three is less clear, although THAM-3 presents as possibly superior.

  6. Influence of the Human Skin Tumor Type in Photodynamic Therapy Analysed by a Predictive Model

    Directory of Open Access Journals (Sweden)

    I. Salas-García

    2012-01-01

    Full Text Available Photodynamic Therapy (PDT modeling allows the prediction of the treatment results depending on the lesion properties, the photosensitizer distribution, or the optical source characteristics. We employ a predictive PDT model and apply it to different skin tumors. It takes into account optical radiation distribution, a nonhomogeneous topical photosensitizer spatial temporal distribution, and the time-dependent photochemical interaction. The predicted singlet oxygen molecular concentrations with varying optical irradiance are compared and could be directly related with the necrosis area. The results show a strong dependence on the particular lesion. This suggests the need to design optimal PDT treatment protocols adapted to the specific patient and lesion.

  7. Misalignment Effect Function Measurement for Oblique Rotation Axes: Counterintuitive Predictions and Theoretical Extensions

    Science.gov (United States)

    Ellis, Stephen R.; Adelstein, Bernard D.; Yeom, Kiwon

    2013-01-01

    The Misalignment Effect Function (MEF) describes the decrement in manual performance associated with a rotation between operators' visual display frame of reference and that of their manual control. It now has been empirically determined for rotation axes oblique to canonical body axes and is compared with the MEF previously measured for rotations about canonical axes. A targeting rule, called the Secant Rule, based on these earlier measurements is derived from a hypothetical process and shown to describe some of the data from three previous experiments. It explains the motion trajectories determined for rotations less than 65deg in purely kinematic terms without the need to appeal to a mental rotation process. Further analysis of this rule in three dimensions applied to oblique rotation axes leads to a somewhat surprising expectation that the difficulty posed by rotational misalignment should get harder as the required movement is shorter. This prediction is confirmed. Geometry underlying this rule also suggests analytic extensions for predicting more generally the difficulty of making movements in arbitrary directions subject to arbitrary misalignments.

  8. Reward rate optimization in two-alternative decision making: empirical tests of theoretical predictions.

    Science.gov (United States)

    Simen, Patrick; Contreras, David; Buck, Cara; Hu, Peter; Holmes, Philip; Cohen, Jonathan D

    2009-12-01

    The drift-diffusion model (DDM) implements an optimal decision procedure for stationary, 2-alternative forced-choice tasks. The height of a decision threshold applied to accumulating information on each trial determines a speed-accuracy tradeoff (SAT) for the DDM, thereby accounting for a ubiquitous feature of human performance in speeded response tasks. However, little is known about how participants settle on particular tradeoffs. One possibility is that they select SATs that maximize a subjective rate of reward earned for performance. For the DDM, there exist unique, reward-rate-maximizing values for its threshold and starting point parameters in free-response tasks that reward correct responses (R. Bogacz, E. Brown, J. Moehlis, P. Holmes, & J. D. Cohen, 2006). These optimal values vary as a function of response-stimulus interval, prior stimulus probability, and relative reward magnitude for correct responses. We tested the resulting quantitative predictions regarding response time, accuracy, and response bias under these task manipulations and found that grouped data conformed well to the predictions of an optimally parameterized DDM.

  9. Predicting Athletes’ Pre-Exercise Fluid Intake: A Theoretical Integration Approach

    Directory of Open Access Journals (Sweden)

    Chunxiao Li

    2018-05-01

    Full Text Available Pre-exercise fluid intake is an important healthy behavior for maintaining athletes’ sports performances and health. However, athletes’ behavioral adherence to fluid intake and its underlying psychological mechanisms have not been investigated. This prospective study aimed to use a health psychology model that integrates the self-determination theory and the theory of planned behavior for understanding pre-exercise fluid intake among athletes. Participants (n = 179 were athletes from college sport teams who completed surveys at two time points. Baseline (Time 1 assessment comprised psychological variables of the integrated model (i.e., autonomous and controlled motivation, attitude, subjective norm, perceived behavioral control, and intention and fluid intake (i.e., behavior was measured prospectively at one month (Time 2. Path analysis showed that the positive association between autonomous motivation and intention was mediated by subjective norm and perceived behavioral control. Controlled motivation positively predicted the subjective norm. Intentions positively predicted pre-exercise fluid intake behavior. Overall, the pattern of results was generally consistent with the integrated model, and it was suggested that athletes’ pre-exercise fluid intake behaviors were associated with the motivational and social cognitive factors of the model. The research findings could be informative for coaches and sport scientists to promote athletes’ pre-exercise fluid intake behaviors.

  10. Morphoelastic control of gastro-intestinal organogenesis: Theoretical predictions and numerical insights

    Science.gov (United States)

    Balbi, V.; Kuhl, E.; Ciarletta, P.

    2015-05-01

    With nine meters in length, the gastrointestinal tract is not only our longest, but also our structurally most diverse organ. During embryonic development, it evolves as a bilayered tube with an inner endodermal lining and an outer mesodermal layer. Its inner surface displays a wide variety of morphological patterns, which are closely correlated to digestive function. However, the evolution of these intestinal patterns remains poorly understood. Here we show that geometric and mechanical factors can explain intestinal pattern formation. Using the nonlinear field theories of mechanics, we model surface morphogenesis as the instability problem of constrained differential growth. To allow for internal and external expansion, we model the gastrointestinal tract with homogeneous Neumann boundary conditions. To establish estimates for the folding pattern at the onset of folding, we perform a linear stability analysis supplemented by the perturbation theory. To predict pattern evolution in the post-buckling regime, we perform a series of nonlinear finite element simulations. Our model explains why longitudinal folds emerge in the esophagus with a thick and stiff outer layer, whereas circumferential folds emerge in the jejunum with a thinner and softer outer layer. In intermediate regions like the feline esophagus, longitudinal and circumferential folds emerge simultaneously. Our model could serve as a valuable tool to explain and predict alterations in esophageal morphology as a result of developmental disorders or certain digestive pathologies including food allergies.

  11. Sequence analyses and 3D structure prediction of two Type III ...

    African Journals Online (AJOL)

    Internet

    2012-04-17

    Apr 17, 2012 ... analyses were performed using the sequence data of growth hormone gene (gh) ... used as a phylogenetic marker for different taxonomic ..... structural changes have been observed in some parts of ..... of spatial restraints.

  12. Theoretical prediction of thermodynamic activities of liquid Au-Sn-X (X=Bi, Sb, Zn) solder systems

    Energy Technology Data Exchange (ETDEWEB)

    Awe, O.E., E-mail: draweoe2004@yahoo.com [Department of Physics, University of Ibadan, Ibadan (Nigeria); Department of Physics and Engineering Physics, Obafemi Awolowo University, Ile-Ife (Nigeria); Oshakuade, O.M. [Department of Physics, University of Ibadan, Ibadan (Nigeria)

    2017-02-15

    Molecular interaction volume model has been theoretically used to predict the thermodynamic activities of tin in Au-Sn-Bi and Au-Sn-Sb and the thermodynamic activity of zinc in Au-Sn-Zn at experimental temperatures 800 K, 873 K and 973 K, respectively. On the premise of agreement between the predicted and experimental values, we predicted the activities of the remaining two components in each of the three systems. This prediction was extended from three cross-sections to five cross-sections, and to temperature range 400–600 K, relevant for applications. Iso-activities were plotted. Results show that addition of tin reduces the tendency for chemical short range order in both Au-Sb and Au-Zn systems, while addition of gold and bismuth, respectively, reduce the tendency for chemical short range order in Sn-Sb and Au-Sn systems. Also, we found that, in the desired high-temperature region for applications, while a combination of chemical order and miscibility of components exist in both Au-Sn-Bi and Au-Sn-Zn systems, only chemical order exist in the Au-Sn-Sb system. Results, further show that increase in temperature reduces the phase separation tendency in Au-Sn-Bi system.

  13. Theoretical prediction of fast 3D AC electro-osmotic pumps.

    Science.gov (United States)

    Bazant, Martin Z; Ben, Yuxing

    2006-11-01

    AC electro-osmotic (ACEO) pumps in microfluidics currently involve planar electrode arrays, but recent work on the underlying phenomenon of induced-charge electro-osmosis (ICEO) suggests that three-dimensional (3D) geometries may be exploited to achieve faster flows. In this paper, we present some new design principles for periodic 3D ACEO pumps, such as the "fluid conveyor belt" of ICEO flow over a stepped electrode array. Numerical simulations of these designs (using the standard low-voltage model) predict flow rates almost twenty times faster than existing planar ACEO pumps, for the same applied voltage and minimum feature size. These pumps may enable new portable or implantable lab-on-a-chip devices, since rather fast (mm s(-1)), tuneable flows should be attainable with battery voltages (<10 V).

  14. Theoretical prediction of the noble gas complexes HeAuF and NeAuF

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Ab initio calculations were carried out to investigate the structures and the stability of the noble gas complexes HeAuF and NeAuF through MP2 and CCSD(T) methods.The HeAuF was predicted to have a linear structure with weak He-Au covalent bonding,the distance of which is closer to the covalent limit in comparison with the corresponding van der Waals limit.The dissociation energy with respect to He + AuF was found to be 24 and 26 kJ·mol-1 at the CCSD(T)/basis set B and B’ levels,respectively.However,similar calculations for NeAuF indicate that NeAuF is not a stable species.

  15. Molecular adsorption of alkanes on platinum surfaces: A predictive theoretical model

    International Nuclear Information System (INIS)

    Stinnett, J.A.; Madix, R.J.

    1996-01-01

    The adsorption probabilities of methane and propane on Pt(111), and propane on Pt(110)-(1x2) have been successfully predicted for a wide range of incident energies and angles with classical stochastic trajectory simulations, using a pairwise additive Morse methyl endash platinum potential previously developed from the measured trapping probabilities of ethane on Pt(111). These predictions, along with those for ethane adsorption on Pt(110)endash(1x2), comprise a unified model for the molecular adsorption of alkanes on platinum surfaces. The simulations show the initial trapping probabilities of methane and propane on Pt(111) are determined to within approximately 10% by the fate of the first bounce. They also indicate that at normal incidence on Pt(111) energy conversions from perpendicular translational motion to both cartwheeling rotation and lattice phonons play increasingly important roles in increasing the trapping probability as the alkane increases in size and molecular weight. For methane itself excitation of parallel translational momentum after the first bounce serves as the most effective energy storage mechanism which facilitates trapping, whereas for propane cartwheel rotational motion plays the dominant role. Excessive excitation of these modes of motion, however, can cause scattering on subsequent bounces by reconversion of the energy into perpendicular translational energy. Collisions of methane with the hollow and bridge sites on the Pt(111) surface appear less effective in trapping than do atop sites. The simulations also suggest excitation of the C endash C endash C bending mode of propane has little effect on the trapping of propane on platinum surfaces for beam energies below 55 kJ/mol. copyright 1996 American Institute of Physics

  16. Theoretical predictions for spatially-focused heating of magnetic nanoparticles guided by magnetic particle imaging field gradients

    Energy Technology Data Exchange (ETDEWEB)

    Dhavalikar, Rohan [Department of Chemical Engineering, University of Florida, 1030 Center Drive, Gainesville, FL 32611 (United States); Rinaldi, Carlos, E-mail: carlos.rinaldi@bme.ufl.edu [Department of Chemical Engineering, University of Florida, 1030 Center Drive, Gainesville, FL 32611 (United States); J. Crayton Pruitt Family Department of Biomedical Engineering, University of Florida, 1275 Center Drive, Gainesville, FL 32611 (United States)

    2016-12-01

    Magnetic nanoparticles in alternating magnetic fields (AMFs) transfer some of the field's energy to their surroundings in the form of heat, a property that has attracted significant attention for use in cancer treatment through hyperthermia and in developing magnetic drug carriers that can be actuated to release their cargo externally using magnetic fields. To date, most work in this field has focused on the use of AMFs that actuate heat release by nanoparticles over large regions, without the ability to select specific nanoparticle-loaded regions for heating while leaving other nanoparticle-loaded regions unaffected. In parallel, magnetic particle imaging (MPI) has emerged as a promising approach to image the distribution of magnetic nanoparticle tracers in vivo, with sub-millimeter spatial resolution. The underlying principle in MPI is the application of a selection magnetic field gradient, which defines a small region of low bias field, superimposed with an AMF (of lower frequency and amplitude than those normally used to actuate heating by the nanoparticles) to obtain a signal which is proportional to the concentration of particles in the region of low bias field. Here we extend previous models for estimating the energy dissipation rates of magnetic nanoparticles in uniform AMFs to provide theoretical predictions of how the selection magnetic field gradient used in MPI can be used to selectively actuate heating by magnetic nanoparticles in the low bias field region of the selection magnetic field gradient. Theoretical predictions are given for the spatial decay in energy dissipation rate under magnetic field gradients representative of those that can be achieved with current MPI technology. These results underscore the potential of combining MPI and higher amplitude/frequency actuation AMFs to achieve selective magnetic fluid hyperthermia (MFH) guided by MPI. - Highlights: • SAR predictions based on a field-dependent magnetization relaxation model.

  17. Analysing the Relevance of Experience Partitions to the Prediction of Players’ Self-Reports of Affect

    DEFF Research Database (Denmark)

    Martínez, Héctor Pérez; Yannakakis, Georgios N.

    2011-01-01

    A common practice in modeling affect from physiological signals consists of reducing the signals to a set of statistical features that feed predictors of self-reported emotions. This paper analyses the impact of various time-windows, used for the extraction of physiological features, to the accur......A common practice in modeling affect from physiological signals consists of reducing the signals to a set of statistical features that feed predictors of self-reported emotions. This paper analyses the impact of various time-windows, used for the extraction of physiological features...

  18. Analyses and predictions of the thermodynamic properties and phase diagrams of silicate systems

    Energy Technology Data Exchange (ETDEWEB)

    Blander, M. (Argonne National Lab., IL (United States)); Pelton, A.; Eriksson, G. (Ecole Polytechnique, Montreal, PQ (Canada). Dept. of Metallurgy and Materials Engineering)

    1992-01-01

    Molten silicates are ordered solutions which can not be well represented by the usual polynomial representation of deviations from ideal solution behavior (i.e. excess free energies of mixing). An adaptation of quasichemical theory which is capable of describing the properties of ordered solutions represents the measured properties of binary silicates over broad ranges of composition and temperature. For simple silicates such as the MgO-FeO-SiO{sub 2} ternary system, in which silica is the only acid component, a combining rule generally leads to good predictions of ternary solutions from those of the binaries. In basic solutions, these predictions are consistent with those of the conformal ionic solution theory. Our results indicate that our approach could provide a potentially powerful tool for representing and predicting the properties of multicomponent molten silicates.

  19. Analyses and predictions of the thermodynamic properties and phase diagrams of silicate systems

    Energy Technology Data Exchange (ETDEWEB)

    Blander, M. [Argonne National Lab., IL (United States); Pelton, A.; Eriksson, G. [Ecole Polytechnique, Montreal, PQ (Canada). Dept. of Metallurgy and Materials Engineering

    1992-07-01

    Molten silicates are ordered solutions which can not be well represented by the usual polynomial representation of deviations from ideal solution behavior (i.e. excess free energies of mixing). An adaptation of quasichemical theory which is capable of describing the properties of ordered solutions represents the measured properties of binary silicates over broad ranges of composition and temperature. For simple silicates such as the MgO-FeO-SiO{sub 2} ternary system, in which silica is the only acid component, a combining rule generally leads to good predictions of ternary solutions from those of the binaries. In basic solutions, these predictions are consistent with those of the conformal ionic solution theory. Our results indicate that our approach could provide a potentially powerful tool for representing and predicting the properties of multicomponent molten silicates.

  20. Theoretical prediction of silicene as a new candidate for the anode of lithium-ion batteries.

    Science.gov (United States)

    Seyed-Talebi, Seyedeh Mozhgan; Kazeminezhad, Iraj; Beheshtian, Javad

    2015-11-28

    Using density functional theory calculations, we determine the band structure and DOS of graphene and silicene supercell models. We also study the adsorption mechanism of Li metal atoms and Li-ions onto free-standing silicene (buckled, θ = 101.7°) and compare the results with those of graphene. In contrast to graphene, interactions between Li metal atoms and Li-ions with the silicene surface are quite strong due to its highly reactive buckled hexagonal structure. As a consequence of structural properties the adsorption height, the most stable adsorption site and energy barrier against Li diffusion are also discussed here to outline the prospects of using silicene in electronic devices such as Li ion batteries (LiBs), hydrogen storage and molecular machines. However, in most LiBs, graphene layers are used as anode electrodes. Here, it is shown that graphene has very limited Li storage capacity and low surface area than silicene. As our models are in good agreement with previous predictions, this finding presents a possible avenue for creating better anode materials that can replace graphene for higher capacity and better cycling performance of LiBs.

  1. Temperature dependences of growth rates and carrying capacities of marine bacteria depart from metabolic theoretical predictions

    KAUST Repository

    Huete-Stauffer, Tamara Megan

    2015-09-11

    Using the metabolic theory of ecology (MTE) framework, we evaluated over a whole annual cycle the monthly responses to temperature of the growth rates (μ) and carrying capacities (K) of heterotrophic bacterioplankton at a temperate coastal site. We used experimental incubations spanning 6oC with bacterial physiological groups identified by flow cytometry according to membrane integrity (live), nucleic acid content (HNA and LNA) and respiratory activity (CTC+). The temperature dependence of μat the exponential phase of growth was summarized by the activation energy (E), which was variable (-0.52 to 0.72 eV) but followed a seasonal pattern, only reaching the hypothesized value for aerobic heterotrophs of 0.65 eV during the spring bloom for the most active bacterial groups (live, HNA, CTC+). K (i.e. maximum experimental abundance) peaked at 4 × 106 cells mL-1 and generally covaried with μbut, contrary to MTE predictions, it did not decrease consistently with temperature. In the case of live cells, the responses of μand K to temperature were positively correlated and related to seasonal changes in substrate availability, indicating that the responses of bacteria to warming are far from homogeneous and poorly explained by MTE at our site. © FEMS 2015.

  2. Theoretical prediction of the mechanical properties of zeolitic imidazolate frameworks (ZIFs)

    KAUST Repository

    Zheng, Bin

    2017-08-25

    A good resistance against mechanical stress is essential for the utilization of metal-organic frameworks (MOFs) in practical applications such as gas sorption, separation, catalysis or energy conversion. Here, we report on the successful modification of the mechanical properties of zeolitic imidazolate frameworks (ZIFs) achieved through a substitution of the terminal group. The mechanical modulus of SALEM-2 was found to significantly improve when the -H groups at position 2 of the imidazole linkers were replaced with electron withdrawing groups (-CHO, -Cl, or -Br). The charge distribution and electron density were analyzed to reveal the mechanism behind the observed variation of the elastic stiffness. Furthermore, ZIF-I with a -I group at position 2 of the imidazole linkers was predicted to exhibit an excellent mechanical strength in our study and then prepared experimentally. The results indicate that an inconspicuous change of the structure of ZIFs, i.e., additional groups strengthening the ZnN4 tetrahedron, will lead to a stiffer framework.

  3. Theoretical prediction of the mechanical properties of zeolitic imidazolate frameworks (ZIFs)

    KAUST Repository

    Zheng, Bin; Zhu, Yihan; Fu, Fang; Wang, Lian Li; Wang, Jinlei; Du, Huiling

    2017-01-01

    A good resistance against mechanical stress is essential for the utilization of metal-organic frameworks (MOFs) in practical applications such as gas sorption, separation, catalysis or energy conversion. Here, we report on the successful modification of the mechanical properties of zeolitic imidazolate frameworks (ZIFs) achieved through a substitution of the terminal group. The mechanical modulus of SALEM-2 was found to significantly improve when the -H groups at position 2 of the imidazole linkers were replaced with electron withdrawing groups (-CHO, -Cl, or -Br). The charge distribution and electron density were analyzed to reveal the mechanism behind the observed variation of the elastic stiffness. Furthermore, ZIF-I with a -I group at position 2 of the imidazole linkers was predicted to exhibit an excellent mechanical strength in our study and then prepared experimentally. The results indicate that an inconspicuous change of the structure of ZIFs, i.e., additional groups strengthening the ZnN4 tetrahedron, will lead to a stiffer framework.

  4. Using Game Theoretic Models to Predict Pilot Behavior in NextGen Merging and Landing Scenario

    Science.gov (United States)

    Yildiz, Yildiray; Lee, Ritchie; Brat, Guillaume

    2012-01-01

    In this paper, we present an implementation of the Semi Network-Form Game framework to predict pilot behavior in a merging and landing scenario. In this scenario, two aircraft are approaching to a freeze horizon with approximately equal distance when they become aware of each other via an ADS-B communication link that will be available in NextGen airspace. Both pilots want to gain advantage over the other by entering the freeze horizon earlier and obtain the first place in landing. They re-adjust their speed accordingly. However, they cannot simply increase their speed to the maximum allowable values since they are concerned with safety, separation distance, effort, possibility of being vectored-off from landing and possibility of violating speed constraints. We present how to model these concerns and the rest of the system using semi network-from game framework. Using this framework, based on certain assumptions on pilot utility functions and on system configuration, we provide estimates of pilot behavior and overall system evolution in time. We also discuss the possible employment of this modeling tool for airspace design optimization. To support this discussion, we provide a case where we investigate the effect of increasing the merging point speed limit on the commanded speed distribution and on the percentage of vectored aircraft.

  5. Combining Results from Distinct MicroRNA Target Prediction Tools Enhances the Performance of Analyses

    Directory of Open Access Journals (Sweden)

    Arthur C. Oliveira

    2017-05-01

    Full Text Available Target prediction is generally the first step toward recognition of bona fide microRNA (miRNA-target interactions in living cells. Several target prediction tools are now available, which use distinct criteria and stringency to provide the best set of candidate targets for a single miRNA or a subset of miRNAs. However, there are many false-negative predictions, and consensus about the optimum strategy to select and use the output information provided by the target prediction tools is lacking. We compared the performance of four tools cited in literature—TargetScan (TS, miRanda-mirSVR (MR, Pita, and RNA22 (R22, and we determined the most effective approach for analyzing target prediction data (individual, union, or intersection. For this purpose, we calculated the sensitivity, specificity, precision, and correlation of these approaches using 10 miRNAs (miR-1-3p, miR-17-5p, miR-21-5p, miR-24-3p, miR-29a-3p, miR-34a-5p, miR-124-3p, miR-125b-5p, miR-145-5p, and miR-155-5p and 1,400 genes (700 validated and 700 non-validated as targets of these miRNAs. The four tools provided a subset of high-quality predictions and returned few false-positive predictions; however, they could not identify several known true targets. We demonstrate that union of TS/MR and TS/MR/R22 enhanced the quality of in silico prediction analysis of miRNA targets. We conclude that the union rather than the intersection of the aforementioned tools is the best strategy for maximizing performance while minimizing the loss of time and resources in subsequent in vivo and in vitro experiments for functional validation of miRNA-target interactions.

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

    International Nuclear Information System (INIS)

    Kugo, Teruhiko; Mori, Takamasa; Takeda, Toshikazu

    2007-01-01

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

  7. Simulation, prediction, and genetic analyses of daily methane emissions in dairy cattle.

    Science.gov (United States)

    Yin, T; Pinent, T; Brügemann, K; Simianer, H; König, S

    2015-08-01

    This study presents an approach combining phenotypes from novel traits, deterministic equations from cattle nutrition, and stochastic simulation techniques from animal breeding to generate test-day methane emissions (MEm) of dairy cows. Data included test-day production traits (milk yield, fat percentage, protein percentage, milk urea nitrogen), conformation traits (wither height, hip width, body condition score), female fertility traits (days open, calving interval, stillbirth), and health traits (clinical mastitis) from 961 first lactation Brown Swiss cows kept on 41 low-input farms in Switzerland. Test-day MEm were predicted based on the traits from the current data set and 2 deterministic prediction equations, resulting in the traits labeled MEm1 and MEm2. Stochastic simulations were used to assign individual concentrate intake in dependency of farm-type specifications (requirement when calculating MEm2). Genetic parameters for MEm1 and MEm2 were estimated using random regression models. Predicted MEm had moderate heritabilities over lactation and ranged from 0.15 to 0.37, with highest heritabilities around DIM 100. Genetic correlations between MEm1 and MEm2 ranged between 0.91 and 0.94. Antagonistic genetic correlations in the range from 0.70 to 0.92 were found for the associations between MEm2 and milk yield. Genetic correlations between MEm with days open and with calving interval increased from 0.10 at the beginning to 0.90 at the end of lactation. Genetic relationships between MEm2 and stillbirth were negative (0 to -0.24) from the beginning to the peak phase of lactation. Positive genetic relationships in the range from 0.02 to 0.49 were found between MEm2 with clinical mastitis. Interpretation of genetic (co)variance components should also consider the limitations when using data generated by prediction equations. Prediction functions only describe that part of MEm which is dependent on the factors and effects included in the function. With high

  8. Prediction of Seismic Slope Displacements by Dynamic Stick-Slip Analyses

    International Nuclear Information System (INIS)

    Ausilio, Ernesto; Costanzo, Antonio; Silvestri, Francesco; Tropeano, Giuseppe

    2008-01-01

    A good-working balance between simplicity and reliability in assessing seismic slope stability is represented by displacement-based methods, in which the effects of deformability and ductility can be either decoupled or coupled in the dynamic analyses. In this paper, a 1D lumped mass ''stick-slip'' model is developed, accounting for soil heterogeneity and non-linear behaviour, with a base sliding mechanism at a potential rupture surface. The results of the preliminary calibration show a good agreement with frequency-domain site response analysis in no-slip conditions. The comparison with rigid sliding block analyses and with the decoupled approach proves that the stick-slip procedure can result increasingly unconservative for soft soils and deep sliding depths

  9. Theoretically predicted soft x-ray emission and absorption spectra of graphitic-structured BC2N

    Science.gov (United States)

    Muramatsu, Yasuji

    Theoretical B K, C K and N K x-ray emission/absorption spectra of three possible graphitic-structured BC2N clusters are predicted based on the B2p-, C2p-, and N2p- density-of-states (DOS) calculated by discrete variational (DV)-X[alpha] molecular orbital calculations. Several prominent differences in DOS spectral features among BC2Ns, h-BN, and graphite are confirmed from comparison of calculated B2p-, C2p-, and N2p-DOS spectra. These variations in the spectra allow BC2N structures to be positively identified by high-resolution x-ray emission/absorption spectroscopy in the B K, C K, and N K regions.

  10. Potential of MR histogram analyses for prediction of response to chemotherapy in patients with colorectal hepatic metastases.

    Science.gov (United States)

    Liang, He-Yue; Huang, Ya-Qin; Yang, Zhao-Xia; Ying-Ding; Zeng, Meng-Su; Rao, Sheng-Xiang

    2016-07-01

    To determine if magnetic resonance imaging (MRI) histogram analyses can help predict response to chemotherapy in patients with colorectal hepatic metastases by using response evaluation criteria in solid tumours (RECIST1.1) as the reference standard. Standard MRI including diffusion-weighted imaging (b=0, 500 s/mm(2)) was performed before chemotherapy in 53 patients with colorectal hepatic metastases. Histograms were performed for apparent diffusion coefficient (ADC) maps, arterial, and portal venous phase images; thereafter, mean, percentiles (1st, 10th, 50th, 90th, 99th), skewness, kurtosis, and variance were generated. Quantitative histogram parameters were compared between responders (partial and complete response, n=15) and non-responders (progressive and stable disease, n=38). Receiver operator characteristics (ROC) analyses were further analyzed for the significant parameters. The mean, 1st percentile, 10th percentile, 50th percentile, 90th percentile, 99th percentile of the ADC maps were significantly lower in responding group than that in non-responding group (p=0.000-0.002) with area under the ROC curve (AUCs) of 0.76-0.82. The histogram parameters of arterial and portal venous phase showed no significant difference (p>0.05) between the two groups. Histogram-derived parameters for ADC maps seem to be a promising tool for predicting response to chemotherapy in patients with colorectal hepatic metastases. • ADC histogram analyses can potentially predict chemotherapy response in colorectal liver metastases. • Lower histogram-derived parameters (mean, percentiles) for ADC tend to have good response. • MR enhancement histogram analyses are not reliable to predict response.

  11. When Bitcoin encounters information in an online forum: Using text mining to analyse user opinions and predict value fluctuation.

    Directory of Open Access Journals (Sweden)

    Young Bin Kim

    Full Text Available Bitcoin is an online currency that is used worldwide to make online payments. It has consequently become an investment vehicle in itself and is traded in a way similar to other open currencies. The ability to predict the price fluctuation of Bitcoin would therefore facilitate future investment and payment decisions. In order to predict the price fluctuation of Bitcoin, we analyse the comments posted in the Bitcoin online forum. Unlike most research on Bitcoin-related online forums, which is limited to simple sentiment analysis and does not pay sufficient attention to note-worthy user comments, our approach involved extracting keywords from Bitcoin-related user comments posted on the online forum with the aim of analytically predicting the price and extent of transaction fluctuation of the currency. The effectiveness of the proposed method is validated based on Bitcoin online forum data ranging over a period of 2.8 years from December 2013 to September 2016.

  12. When Bitcoin encounters information in an online forum: Using text mining to analyse user opinions and predict value fluctuation.

    Science.gov (United States)

    Kim, Young Bin; Lee, Jurim; Park, Nuri; Choo, Jaegul; Kim, Jong-Hyun; Kim, Chang Hun

    2017-01-01

    Bitcoin is an online currency that is used worldwide to make online payments. It has consequently become an investment vehicle in itself and is traded in a way similar to other open currencies. The ability to predict the price fluctuation of Bitcoin would therefore facilitate future investment and payment decisions. In order to predict the price fluctuation of Bitcoin, we analyse the comments posted in the Bitcoin online forum. Unlike most research on Bitcoin-related online forums, which is limited to simple sentiment analysis and does not pay sufficient attention to note-worthy user comments, our approach involved extracting keywords from Bitcoin-related user comments posted on the online forum with the aim of analytically predicting the price and extent of transaction fluctuation of the currency. The effectiveness of the proposed method is validated based on Bitcoin online forum data ranging over a period of 2.8 years from December 2013 to September 2016.

  13. Intrinsic disorder in Viral Proteins Genome-Linked: experimental and predictive analyses

    Directory of Open Access Journals (Sweden)

    Van Dorsselaer Alain

    2009-02-01

    Full Text Available Abstract Background VPgs are viral proteins linked to the 5' end of some viral genomes. Interactions between several VPgs and eukaryotic translation initiation factors eIF4Es are critical for plant infection. However, VPgs are not restricted to phytoviruses, being also involved in genome replication and protein translation of several animal viruses. To date, structural data are still limited to small picornaviral VPgs. Recently three phytoviral VPgs were shown to be natively unfolded proteins. Results In this paper, we report the bacterial expression, purification and biochemical characterization of two phytoviral VPgs, namely the VPgs of Rice yellow mottle virus (RYMV, genus Sobemovirus and Lettuce mosaic virus (LMV, genus Potyvirus. Using far-UV circular dichroism and size exclusion chromatography, we show that RYMV and LMV VPgs are predominantly or partly unstructured in solution, respectively. Using several disorder predictors, we show that both proteins are predicted to possess disordered regions. We next extend theses results to 14 VPgs representative of the viral diversity. Disordered regions were predicted in all VPg sequences whatever the genus and the family. Conclusion Based on these results, we propose that intrinsic disorder is a common feature of VPgs. The functional role of intrinsic disorder is discussed in light of the biological roles of VPgs.

  14. Theoretical models to predict the transient heat transfer performance of HIFAR fuel elements under non-forced convective conditions

    International Nuclear Information System (INIS)

    Green, W.J.

    1987-04-01

    Simple theoretical models have been developed which are suitable for predicting the thermal responses of irradiated research fuel elements of markedly different geometries when they are subjected to loss-of-coolant accident conditions. These models have been used to calculate temperature responses corresponding to various non-forced convective conditions. Comparisons between experimentally observed temperatures and calculated values have shown that a suitable value for surface thermal emissivity is 0.35; modelling of the fuel element beyond the region of the fuel plate needs to be included since these areas account for approximately 25 per cent of the thermal power dissipated; general agreement between calculated and experimental temperatures for both transient and steady-state conditions is good - the maximum discrepancy between calculated and experimental temperatures for a HIFAR Mark IV/V fuel element is ∼ 70 deg C, and for an Oak Ridge Reactor (ORR) box-type fuel element ∼ 30 deg C; and axial power distribution does not significantly affect thermal responses for the conditions investigated. Overall, the comparisons have shown that the models evolved can reproduce experimental data to a level of accuracy that provides confidence in the modelling technique and the postulated heat dissipation mechanisms, and that these models can be used to predict thermal responses of fuel elements in accident conditions that are not easily investigated experimentally

  15. On-line prediction of BWR transients in support of plant operation and safety analyses

    International Nuclear Information System (INIS)

    Wulff, W.; Cheng, H.S.; Lekach, S.V.; Mallen, A.N.

    1983-01-01

    A combination of advanced modeling techniques and modern, special-purpose peripheral minicomputer technology is presented which affords realistic predictions of plant transient and severe off-normal events in LWR power plants through on-line simulations at a speed ten times greater than actual process speeds. Results are shown for a BWR plant simulation. The mathematical models account for nonequilibrium, nonhomogeneous two-phase flow effects in the coolant, for acoustical effects in the steam line and for the dynamics of the recirculation loop and feed-water train. Point kinetics incorporate reactivity feedback for void fraction, for fuel temperature, and for coolant temperature. Control systems and trip logic are simulated for the nuclear steam supply system

  16. Theoretical prediction and validation of cell recovery rates in preparing platelet-rich plasma through a centrifugation.

    Science.gov (United States)

    Piao, Linfeng; Park, Hyungmin; Jo, Chris Hyunchul

    2017-01-01

    In the present study, we propose a theoretical framework to predict the recovery rates of platelets and white blood cells in the process of centrifugal separation of whole blood contained in a tube for the preparation of platelet-rich plasma. Compared to previous efforts to optimize or standardize the protocols of centrifugation, we try to further the physical background (i.e., based on the multiphase flow phenomena) of analysis to develop a universal approach that can be applied to widely different conditions. That is, one-dimensional quasi-linear partial differential equation to describe the centrifugal sedimentation of dispersed phase (red and white blood cells) in continuous phase (plasma) is derived based on the kinematic-wave theory. With the information of whole blood volume and tube geometry considered, it is possible to determine the positions of interfaces between supernatant/suspension and suspension/sediment, i.e., the particle concentration gradient in a tube, for a wide range of centrifugation parameters (time and acceleration). While establishing a theory to predict the recovery rates of the platelet and white blood cell from the pre-determined interface positions, we also propose a new correlation model between the recovery rates of plasma and platelets, which is found to be a function of the whole blood volume, centrifugal time and acceleration, and tube geometry. The present predictions for optimal condition show good agreements with available human clinical data, obtained from different conditions, indicating the universal applicability of our method. Furthermore, the dependence of recovery rates on centrifugal conditions reveals that there exist a different critical acceleration and time for the maximum recovery rate of platelets and white blood cells, respectively. The other parameters such as hematocrit, whole blood volume and tube geometry are also found to strongly affect the maximum recovery rates of blood cells, and finally, as a strategy

  17. Predicting Geomorphic and Hydrologic Risks after Wildfire Using Harmonic and Stochastic Analyses

    Science.gov (United States)

    Mikesell, J.; Kinoshita, A. M.; Florsheim, J. L.; Chin, A.; Nourbakhshbeidokhti, S.

    2017-12-01

    Wildfire is a landscape-scale disturbance that often alters hydrological processes and sediment flux during subsequent storms. Vegetation loss from wildfires induce changes to sediment supply such as channel erosion and sedimentation and streamflow magnitude or flooding. These changes enhance downstream hazards, threatening human populations and physical aquatic habitat over various time scales. Using Williams Canyon, a basin burned by the Waldo Canyon Fire (2012) as a case study, we utilize deterministic and statistical modeling methods (Fourier series and first order Markov chain) to assess pre- and post-fire geomorphic and hydrologic characteristics, including of precipitation, enhanced vegetation index (EVI, a satellite-based proxy of vegetation biomass), streamflow, and sediment flux. Local precipitation, terrestrial Light Detection and Ranging (LiDAR) scanning, and satellite-based products are used for these time series analyses. We present a framework to assess variability of periodic and nonperiodic climatic and multivariate trends to inform development of a post-wildfire risk assessment methodology. To establish the extent to which a wildfire affects hydrologic and geomorphic patterns, a Fourier series was used to fit pre- and post-fire geomorphic and hydrologic characteristics to yearly temporal cycles and subcycles of 6, 4, 3, and 2.4 months. These cycles were analyzed using least-squares estimates of the harmonic coefficients or amplitudes of each sub-cycle's contribution to fit the overall behavior of a Fourier series. The stochastic variances of these characteristics were analyzed by composing first-order Markov models and probabilistic analysis through direct likelihood estimates. Preliminary results highlight an increased dependence of monthly post-fire hydrologic characteristics on 12 and 6-month temporal cycles. This statistical and probabilistic analysis provides a basis to determine the impact of wildfires on the temporal dependence of

  18. Circulating biomarkers for predicting cardiovascular disease risk; a systematic review and comprehensive overview of meta-analyses.

    Directory of Open Access Journals (Sweden)

    Thijs C van Holten

    Full Text Available BACKGROUND: Cardiovascular disease is one of the major causes of death worldwide. Assessing the risk for cardiovascular disease is an important aspect in clinical decision making and setting a therapeutic strategy, and the use of serological biomarkers may improve this. Despite an overwhelming number of studies and meta-analyses on biomarkers and cardiovascular disease, there are no comprehensive studies comparing the relevance of each biomarker. We performed a systematic review of meta-analyses on levels of serological biomarkers for atherothrombosis to compare the relevance of the most commonly studied biomarkers. METHODS AND FINDINGS: Medline and Embase were screened on search terms that were related to "arterial ischemic events" and "meta-analyses". The meta-analyses were sorted by patient groups without pre-existing cardiovascular disease, with cardiovascular disease and heterogeneous groups concerning general populations, groups with and without cardiovascular disease, or miscellaneous. These were subsequently sorted by end-point for cardiovascular disease or stroke and summarized in tables. We have identified 85 relevant full text articles, with 214 meta-analyses. Markers for primary cardiovascular events include, from high to low result: C-reactive protein, fibrinogen, cholesterol, apolipoprotein B, the apolipoprotein A/apolipoprotein B ratio, high density lipoprotein, and vitamin D. Markers for secondary cardiovascular events include, from high to low result: cardiac troponins I and T, C-reactive protein, serum creatinine, and cystatin C. For primary stroke, fibrinogen and serum uric acid are strong risk markers. Limitations reside in that there is no acknowledged search strategy for prognostic studies or meta-analyses. CONCLUSIONS: For primary cardiovascular events, markers with strong predictive potential are mainly associated with lipids. For secondary cardiovascular events, markers are more associated with ischemia. Fibrinogen is a

  19. Conceptual aspects: analyses law, ethical, human, technical, social factors of development ICT, e-learning and intercultural development in different countries setting out the previous new theoretical model and preliminary findings

    NARCIS (Netherlands)

    Kommers, Petrus A.M.; Smyrnova-Trybulska, Eugenia; Morze, Natalia; Issa, Tomayess; Issa, Theodora

    2015-01-01

    This paper, prepared by an international team of authors focuses on the conceptual aspects: analyses law, ethical, human, technical, social factors of ICT development, e-learning and intercultural development in different countries, setting out the previous and new theoretical model and preliminary

  20. Predicting protein subnuclear location with optimized evidence-theoretic K-nearest classifier and pseudo amino acid composition

    International Nuclear Information System (INIS)

    Shen Hongbin; Chou Kuochen

    2005-01-01

    The nucleus is the brain of eukaryotic cells that guides the life processes of the cell by issuing key instructions. For in-depth understanding of the biochemical process of the nucleus, the knowledge of localization of nuclear proteins is very important. With the avalanche of protein sequences generated in the post-genomic era, it is highly desired to develop an automated method for fast annotating the subnuclear locations for numerous newly found nuclear protein sequences so as to be able to timely utilize them for basic research and drug discovery. In view of this, a novel approach is developed for predicting the protein subnuclear location. It is featured by introducing a powerful classifier, the optimized evidence-theoretic K-nearest classifier, and using the pseudo amino acid composition [K.C. Chou, PROTEINS: Structure, Function, and Genetics, 43 (2001) 246], which can incorporate a considerable amount of sequence-order effects, to represent protein samples. As a demonstration, identifications were performed for 370 nuclear proteins among the following 9 subnuclear locations: (1) Cajal body, (2) chromatin, (3) heterochromatin, (4) nuclear diffuse, (5) nuclear pore, (6) nuclear speckle, (7) nucleolus, (8) PcG body, and (9) PML body. The overall success rates thus obtained by both the re-substitution test and jackknife cross-validation test are significantly higher than those by existing classifiers on the same working dataset. It is anticipated that the powerful approach may also become a useful high throughput vehicle to bridge the huge gap occurring in the post-genomic era between the number of gene sequences in databases and the number of gene products that have been functionally characterized. The OET-KNN classifier will be available at www.pami.sjtu.edu.cn/people/hbshen

  1. Predicting conversion from MCI to AD using resting-state fMRI, graph theoretical approach and SVM.

    Science.gov (United States)

    Hojjati, Seyed Hani; Ebrahimzadeh, Ata; Khazaee, Ali; Babajani-Feremi, Abbas

    2017-04-15

    We investigated identifying patients with mild cognitive impairment (MCI) who progress to Alzheimer's disease (AD), MCI converter (MCI-C), from those with MCI who do not progress to AD, MCI non-converter (MCI-NC), based on resting-state fMRI (rs-fMRI). Graph theory and machine learning approach were utilized to predict progress of patients with MCI to AD using rs-fMRI. Eighteen MCI converts (average age 73.6 years; 11 male) and 62 age-matched MCI non-converters (average age 73.0 years, 28 male) were included in this study. We trained and tested a support vector machine (SVM) to classify MCI-C from MCI-NC using features constructed based on the local and global graph measures. A novel feature selection algorithm was developed and utilized to select an optimal subset of features. Using subset of optimal features in SVM, we classified MCI-C from MCI-NC with an accuracy, sensitivity, specificity, and the area under the receiver operating characteristic (ROC) curve of 91.4%, 83.24%, 90.1%, and 0.95, respectively. Furthermore, results of our statistical analyses were used to identify the affected brain regions in AD. To the best of our knowledge, this is the first study that combines the graph measures (constructed based on rs-fMRI) with machine learning approach and accurately classify MCI-C from MCI-NC. Results of this study demonstrate potential of the proposed approach for early AD diagnosis and demonstrate capability of rs-fMRI to predict conversion from MCI to AD by identifying affected brain regions underlying this conversion. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Theoretical strengthening of the concept of appealing in analysed sermons on Matthew 25:31–46 in the context of poverty in South Africa

    Directory of Open Access Journals (Sweden)

    Hennie J.C. Pieterse

    2013-08-01

    Full Text Available From a qualitative grounded theory analysis in a sample of 26 sermons with Matthew 25:31–46 as sermon text, a rhetorical structure of how the preachers try to convince their listeners to care for the poor emerged. The homiletical concept of appealingrelated to all the categories borne out of the analysis of the inner world of the 26 sermons, and also to the categories showing this rhetorical structure in the sermons. The article discusses what the dimensions are in the concept of appealingborne out of the sermons in which the rhetorical structure was apparent, which rhetorical theory would fit as theoretical base for the concept of appealing in its relationship with the rhetorical structure in the sermons, and what dilemma the preachers face when they try to convince their listeners to participate in the care for the poor. The rhetorical theory of deliberative rhetoric (Aristotle and the classical theory with the three dimensions logos, ethosand pathosis discussed in this article as theoretical thickening of the concept of appealingto the listeners of the sermons. This article attempts to demonstrate how to go about theorising from a grounded theory analysis of sermons with Matthew 25:31–46 as a sermon text with, as result, a theory that could help preachers in preaching from this text in the context of poverty in South Africa.

  3. Theoretical and experimental analysis of cyclic stresses in gas turbine rotor blades, taking thermal fatigue into account (low cycle fatigue). Theoretische und experimentelle Analyse der zyklischen Beanspruchung von Gasturbinenlaufschaufeln unter besonderer Beruecksichtigung der thermischen Ermuedung (low cycle fatigue)

    Energy Technology Data Exchange (ETDEWEB)

    Hoelscher, R.

    1982-08-01

    The author is concerned with determining the life of highly stressed hot components of gas turbines. The main point of the experimental and theoretical investigations is the analysis of the cyclic stresses of an uncooled turbine rotor blade of an aircraft gas turbine ATAR 101. Apart from simulating cyclic load changes of turbine blades on a model test rig, models of service life predictions are prepared and tested. (HAG).

  4. Theoretical predictions and experimental studies of self-organized C{sub 60} nanoparticles in water solution and on the support

    Energy Technology Data Exchange (ETDEWEB)

    Prilutski, Yu.I.; Durov, S.S.; Yashchuk, V.N.; Ogul' chansky, T.Yu.; Pogorelov, V.E.; Astashkin, Yu.A. [Kievskij Gosudarstvennyj Univ. (Ukraine). Radiofizicheskij Fakul' tet; Buzaneva, E.V.; Kirghisov, Yu.D. [Department of Radiophysics, Kiev Shevchenko University, Vladimirskaya Str., 64, 252033 Kiev (Ukraine); Andrievsky, G.V. [Institute for Therapy of the Academy of Medical Sciences of Ukraine, Postysheva Str. 2a, 310116 Kharkov (Ukraine); Scharff, P. [Institut fuer Anorganische und Analytische Chemie, TU Clausthal, Paul-Ernst-Strasse 4, D-38670 Clausthal-Zellerfeld (Germany)

    1999-12-01

    The formation in water of highly stable hydrated clusters (I{sub h} symmetry group) and microcrystals (T{sub h} symmetry group) from C{sub 60} fullerenes is theoretically predicted using a molecular dynamics calculation. The proposed models are confirmed by the experiments on the Raman and absorption spectra of the fullerene aqueous solution. The additional study of the structure of C{sub 60} fullerene aggregates in the dry layer on the support (dielectric/semiconductor) is also performed. (orig.)

  5. Extending and Applying Spartan to Perform Temporal Sensitivity Analyses for Predicting Changes in Influential Biological Pathways in Computational Models.

    Science.gov (United States)

    Alden, Kieran; Timmis, Jon; Andrews, Paul S; Veiga-Fernandes, Henrique; Coles, Mark

    2017-01-01

    Through integrating real time imaging, computational modelling, and statistical analysis approaches, previous work has suggested that the induction of and response to cell adhesion factors is the key initiating pathway in early lymphoid tissue development, in contrast to the previously accepted view that the process is triggered by chemokine mediated cell recruitment. These model derived hypotheses were developed using spartan, an open-source sensitivity analysis toolkit designed to establish and understand the relationship between a computational model and the biological system that model captures. Here, we extend the functionality available in spartan to permit the production of statistical analyses that contrast the behavior exhibited by a computational model at various simulated time-points, enabling a temporal analysis that could suggest whether the influence of biological mechanisms changes over time. We exemplify this extended functionality by using the computational model of lymphoid tissue development as a time-lapse tool. By generating results at twelve- hour intervals, we show how the extensions to spartan have been used to suggest that lymphoid tissue development could be biphasic, and predict the time-point when a switch in the influence of biological mechanisms might occur.

  6. ATOP - The Advanced Taiwan Ocean Prediction System Based on the mpiPOM. Part 1: Model Descriptions, Analyses and Results

    Directory of Open Access Journals (Sweden)

    Leo Oey

    2013-01-01

    Full Text Available A data-assimilated Taiwan Ocean Prediction (ATOP system is being developed at the National Central University, Taiwan. The model simulates sea-surface height, three-dimensional currents, temperature and salinity and turbulent mixing. The model has options for tracer and particle-tracking algorithms, as well as for wave-induced Stokes drift and wave-enhanced mixing and bottom drag. Two different forecast domains have been tested: a large-grid domain that encompasses the entire North Pacific Ocean at 0.1° × 0.1° horizontal resolution and 41 vertical sigma levels, and a smaller western North Pacific domain which at present also has the same horizontal resolution. In both domains, 25-year spin-up runs from 1988 - 2011 were first conducted, forced by six-hourly Cross-Calibrated Multi-Platform (CCMP and NCEP reanalysis Global Forecast System (GSF winds. The results are then used as initial conditions to conduct ocean analyses from January 2012 through February 2012, when updated hindcasts and real-time forecasts begin using the GFS winds. This paper describes the ATOP system and compares the forecast results against satellite altimetry data for assessing model skills. The model results are also shown to compare well with observations of (i the Kuroshio intrusion in the northern South China Sea, and (ii subtropical counter current. Review and comparison with other models in the literature of ¡§(i¡¨ are also given.

  7. Comparative transcriptome analyses of three medicinal Forsythia species and prediction of candidate genes involved in secondary metabolisms.

    Science.gov (United States)

    Sun, Luchao; Rai, Amit; Rai, Megha; Nakamura, Michimi; Kawano, Noriaki; Yoshimatsu, Kayo; Suzuki, Hideyuki; Kawahara, Nobuo; Saito, Kazuki; Yamazaki, Mami

    2018-05-07

    The three Forsythia species, F. suspensa, F. viridissima and F. koreana, have been used as herbal medicines in China, Japan and Korea for centuries and they are known to be rich sources of numerous pharmaceutical metabolites, forsythin, forsythoside A, arctigenin, rutin and other phenolic compounds. In this study, de novo transcriptome sequencing and assembly was performed on these species. Using leaf and flower tissues of F. suspensa, F. viridissima and F. koreana, 1.28-2.45-Gbp sequences of Illumina based pair-end reads were obtained and assembled into 81,913, 88,491 and 69,458 unigenes, respectively. Classification of the annotated unigenes in gene ontology terms and KEGG pathways was used to compare the transcriptome of three Forsythia species. The expression analysis of orthologous genes across all three species showed the expression in leaf tissues being highly correlated. The candidate genes presumably involved in the biosynthetic pathway of lignans and phenylethanoid glycosides were screened as co-expressed genes. They express highly in the leaves of F. viridissima and F. koreana. Furthermore, the three unigenes annotated as acyltransferase were predicted to be associated with the biosynthesis of acteoside and forsythoside A from the expression pattern and phylogenetic analysis. This study is the first report on comparative transcriptome analyses of medicinally important Forsythia genus and will serve as an important resource to facilitate further studies on biosynthesis and regulation of therapeutic compounds in Forsythia species.

  8. Do pseudo-absence selection strategies influence species distribution models and their predictions? An information-theoretic approach based on simulated data

    Directory of Open Access Journals (Sweden)

    Guisan Antoine

    2009-04-01

    Full Text Available Abstract Background Multiple logistic regression is precluded from many practical applications in ecology that aim to predict the geographic distributions of species because it requires absence data, which are rarely available or are unreliable. In order to use multiple logistic regression, many studies have simulated "pseudo-absences" through a number of strategies, but it is unknown how the choice of strategy influences models and their geographic predictions of species. In this paper we evaluate the effect of several prevailing pseudo-absence strategies on the predictions of the geographic distribution of a virtual species whose "true" distribution and relationship to three environmental predictors was predefined. We evaluated the effect of using a real absences b pseudo-absences selected randomly from the background and c two-step approaches: pseudo-absences selected from low suitability areas predicted by either Ecological Niche Factor Analysis: (ENFA or BIOCLIM. We compared how the choice of pseudo-absence strategy affected model fit, predictive power, and information-theoretic model selection results. Results Models built with true absences had the best predictive power, best discriminatory power, and the "true" model (the one that contained the correct predictors was supported by the data according to AIC, as expected. Models based on random pseudo-absences had among the lowest fit, but yielded the second highest AUC value (0.97, and the "true" model was also supported by the data. Models based on two-step approaches had intermediate fit, the lowest predictive power, and the "true" model was not supported by the data. Conclusion If ecologists wish to build parsimonious GLM models that will allow them to make robust predictions, a reasonable approach is to use a large number of randomly selected pseudo-absences, and perform model selection based on an information theoretic approach. However, the resulting models can be expected to have

  9. Design by theoretical and CFD analyses of a multi-blade screw pump evolving liquid lead for a Generation IV LFR

    Energy Technology Data Exchange (ETDEWEB)

    Ferrini, Marcello [GeNERG - DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); Borreani, Walter [Ansaldo Nucleare S.p.A., Corso F.M. Perrone 25, 16152 Genova (Italy); INFN, Via Dodecaneso 33, 16146 Genova (Italy); Lomonaco, Guglielmo, E-mail: guglielmo.lomonaco@unige.it [GeNERG - DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); INFN, Via Dodecaneso 33, 16146 Genova (Italy); Magugliani, Fabrizio [Ansaldo Nucleare S.p.A., Corso F.M. Perrone 25, 16152 Genova (Italy)

    2016-02-15

    Lead-cooled fast reactor (LFR) has both a long history and a penchant of innovation. With early work related to its use for submarine propulsion dating to the 1950s, Russian scientists pioneered the development of reactors cooled by heavy liquid metals (HLM). More recently, there has been substantial interest in both critical and subcritical reactors cooled by lead (Pb) or lead–bismuth eutectic (LBE), not only in Russia, but also in Europe, Asia, and the USA. The growing knowledge of the thermal-fluid-dynamic properties of these fluids and the choice of the LFR as one of the six reactor types selected by Generation IV International Forum (GIF) for further research and development has fostered the exploration of new geometries and new concepts aimed at optimizing the key components that will be adopted in the Advanced Lead Fast Reactor European Demonstrator (ALFRED), the 300 MW{sub t} pool-type reactor aimed at proving the feasibility of the design concept adopted for the European Lead-cooled Fast Reactor (ELFR). In this paper, a theoretical and computational analysis is presented of a multi-blade screw pump evolving liquid Lead as primary pump for the adopted reference conceptual design of ALFRED. The pump is at first analyzed at design operating conditions from the theoretical point of view to determine the optimal geometry according to the velocity triangles and then modeled with a 3D CFD code (ANSYS CFX). The choice of a 3D simulation is dictated by the need to perform a detailed spatial simulation taking into account the peculiar geometry of the pump as well as the boundary layers and turbulence effects of the flow, which are typically tri-dimensional. The use of liquid Lead impacts significantly the fluid dynamic design of the pump because of the key requirement to avoid any erosion affects. These effects have a major impact on the performance, reliability and lifespan of the pump. Albeit some erosion-related issues remain to be fully addressed, the results

  10. Design by theoretical and CFD analyses of a multi-blade screw pump evolving liquid lead for a Generation IV LFR

    International Nuclear Information System (INIS)

    Ferrini, Marcello; Borreani, Walter; Lomonaco, Guglielmo; Magugliani, Fabrizio

    2016-01-01

    Lead-cooled fast reactor (LFR) has both a long history and a penchant of innovation. With early work related to its use for submarine propulsion dating to the 1950s, Russian scientists pioneered the development of reactors cooled by heavy liquid metals (HLM). More recently, there has been substantial interest in both critical and subcritical reactors cooled by lead (Pb) or lead–bismuth eutectic (LBE), not only in Russia, but also in Europe, Asia, and the USA. The growing knowledge of the thermal-fluid-dynamic properties of these fluids and the choice of the LFR as one of the six reactor types selected by Generation IV International Forum (GIF) for further research and development has fostered the exploration of new geometries and new concepts aimed at optimizing the key components that will be adopted in the Advanced Lead Fast Reactor European Demonstrator (ALFRED), the 300 MW t pool-type reactor aimed at proving the feasibility of the design concept adopted for the European Lead-cooled Fast Reactor (ELFR). In this paper, a theoretical and computational analysis is presented of a multi-blade screw pump evolving liquid Lead as primary pump for the adopted reference conceptual design of ALFRED. The pump is at first analyzed at design operating conditions from the theoretical point of view to determine the optimal geometry according to the velocity triangles and then modeled with a 3D CFD code (ANSYS CFX). The choice of a 3D simulation is dictated by the need to perform a detailed spatial simulation taking into account the peculiar geometry of the pump as well as the boundary layers and turbulence effects of the flow, which are typically tri-dimensional. The use of liquid Lead impacts significantly the fluid dynamic design of the pump because of the key requirement to avoid any erosion affects. These effects have a major impact on the performance, reliability and lifespan of the pump. Albeit some erosion-related issues remain to be fully addressed, the results of

  11. How can results from macro economic analyses of the energy consumption of households be used in macro models? A discussion of theoretical and empirical literature about aggregation

    International Nuclear Information System (INIS)

    Halvorsen, Bente; Larsen, Bodil M.; Nesbakken, Runa

    2001-01-01

    The literature on energy demand shows that there are systematic differences in income- and price elasticity from analyses based on macro data and micro data. Even if one estimates models with the same explanatory variables, the results may differ with respect to estimated price- and income sensitivity. These differences may be caused by problems involved in transferring micro properties to macro properties, or the estimated macro relationships have failed to adequately consideration the fact that households behave differently in their energy demand. Political goals are often directed towards the entire household sector. Partial equilibrium models do not capture important equilibrium effects and feedback through the energy markets and the economy in general. Thus, it is very interesting, politically and scientifically, to do macro economic model analyses of different political measures that affect the energy consumption. The results of behavioural analyses, in which one investigates the heterogeneity of the energy demand, must be based on information about individual households. When the demand is studied based on micro data, it is difficult to aggregate its properties to a total demand function for the entire household sector if different household sectors have different behaviour. Such heterogeneity of behaviour may for instance arise when households in different regions have different heating equipment because of regional differences in the price of electricity. The subject of aggregation arises immediately when one wants to draw conclusions about the household sector based on information about individual households, whether the discussion is about the whole population or a selection of households. Thus, aggregation is a topic of interest in a wide range of problems

  12. THE EUROPEAN PUBLIC PROSECUTOR’S OFFICE: A theoretical analyse of the proposed regulation for establishment of a European Public Prosecutor’s Office

    Directory of Open Access Journals (Sweden)

    Oana – Măriuca PETRESCU

    2014-05-01

    Full Text Available Establishing a new European body, namely, European Public Prosecutor’s Office, could be described as one of the sensitive issues currently under discussion within the European Union, especially in the context of the serious economic crisis that hit in the last 5 years both the European Union and the national economies, as well as their difficult recovery. The author’s intention is to describe the events proceedings the discussions to regulate the possibility to establish this concept in the Treaty of Lisbon, including a theoretical analysis of the regulation proposed by the European Commission in accordance with Article 86 TFEU to establish this new body of the European Union having as main goal to investigate, prosecute and bring to justice those who commit criminal offences affecting the Union’s financial interests. The author’s conviction is that if agreed to be establish, this new body could change Europe’s judicial landscape, from various reasons. One of these reasons is that this new European Public Prosecutor’s Office will constitute a network of around 100 prosecutors in charge to investigate and prosecute suspects for defrauding EU funding programs.

  13. Clouds and the Earth's Radiant Energy System (CERES) algorithm theoretical basis document. volume 2; Geolocation, calibration, and ERBE-like analyses (subsystems 1-3)

    Science.gov (United States)

    Wielicki, B. A. (Principal Investigator); Barkstrom, B. R. (Principal Investigator); Charlock, T. P.; Baum, B. A.; Green, R. N.; Minnis, P.; Smith, G. L.; Coakley, J. A.; Randall, D. R.; Lee, R. B., III

    1995-01-01

    The theoretical bases for the Release 1 algorithms that will be used to process satellite data for investigation of the Clouds and Earth's Radiant Energy System (CERES) are described. The architecture for software implementation of the methodologies is outlined. Volume 2 details the techniques used to geolocate and calibrate the CERES scanning radiometer measurements of shortwave and longwave radiance to invert the radiances to top-of-the-atmosphere (TOA) and surface fluxes following the Earth Radiation Budget Experiment (ERBE) approach, and to average the fluxes over various time and spatial scales to produce an ERBE-like product. Spacecraft ephemeris and sensor telemetry are used with calibration coefficients to produce a chronologically ordered data product called bidirectional scan (BDS) radiances. A spatially organized instrument Earth scan product is developed for the cloud-processing subsystem. The ERBE-like inversion subsystem converts BDS radiances to unfiltered instantaneous TOA and surface fluxes. The TOA fluxes are determined by using established ERBE techniques. Hourly TOA fluxes are computed from the instantaneous values by using ERBE methods. Hourly surface fluxes are estimated from TOA fluxes by using simple parameterizations based on recent research. The averaging process produces daily, monthly-hourly, and monthly means of TOA and surface fluxes at various scales. This product provides a continuation of the ERBE record.

  14. The current status of theoretically based approaches to the prediction of the critical heat flux in flow boiling

    International Nuclear Information System (INIS)

    Weisman, J.

    1991-01-01

    This paper reports on the phenomena governing the critical heat flux in flow boiling. Inducts which vary with the flow pattern. Separate models are needed for dryout in annular flow, wall overheating in plug or slug flow and formation of a vapor blanket in dispersed flow. The major theories and their current status are described for the annular and dispersed regions. The need for development of the theoretical approach in the plug and slug flow region is indicated

  15. A theoretical study on predicted protein targets of apple polyphenols and possible mechanisms of chemoprevention in colorectal cancer

    OpenAIRE

    Bernardina Scafuri; Anna Marabotti; Virginia Carbone; Paola Minasi; Serena Dotolo; Angelo Facchiano

    2016-01-01

    We investigated the potential role of apple phenolic compounds in human pathologies by integrating chemical characterization of phenolic compounds in three apple varieties, computational approaches to identify potential protein targets of the compounds, bioinformatics analyses on data from public archive of gene expression data, and functional analyses to hypothesize the effects of the selected compounds in molecular pathways. Starting by the analytic characterization of phenolic compounds in...

  16. Theoretical strengthening of the concept of appealing in analysed sermons on Matthew 25:31–46 in the context of poverty in South Africa

    Directory of Open Access Journals (Sweden)

    Hennie J.C. Pieterse

    2013-08-01

    Full Text Available From a qualitative grounded theory analysis in a sample of 26 sermons with Matthew 25:31–46 as sermon text, a rhetorical structure of how the preachers try to convince their listeners to care for the poor emerged. The homiletical concept of appealing related to all the categories borne out of the analysis of the inner world of the 26 sermons, and also to the categories showing this rhetorical structure in the sermons. The article discusses what the dimensions are in the concept of appealing borne out of the sermons in which the rhetorical structure was apparent, which rhetorical theory would fit as theoretical base for the concept of appealing in its relationship with the rhetorical structure in the sermons, and what dilemma the preachers face when they try to convince their listeners to participate in the care for the poor. The rhetorical theory of deliberative rhetoric (Aristotle and the classical theory with the three dimensions logos, ethos and pathosis discussed in this article as theoretical thickening of the concept of appealing to the listeners of the sermons. This article attempts to demonstrate how to go about theorising from a grounded theory analysis of sermons with Matthew 25:31–46 as a sermon text with, as result, a theory that could help preachers in preaching from this text in the context of poverty in South Africa. Vanuit ’n kwalitatief-gegronde teorie-ontleding (grounded theory analysis van 26 preke met Matteus 25:31–46 as preekteks, het ’n retoriese struktuur na vore gekom waarmee predikers hulle toehoorders wil oorreed om armes te versorg. Die homiletiese konsep van appèl, hou verband met al die kategorieë wat uit die inhoudsanalise van die binnewêreld van die 26 preke na vore gekom het, asook die kategorieë waarin die retoriese struktuur sigbaar is. Die artikel bespreek die dimensies in die konsep van appèl wat na vore kom uit die preke waarin die retoriese struktuur duidelik is, welke retoriese teorie as

  17. Application of neural networks and its prospect. 4. Prediction of major disruptions in tokamak plasmas, analyses of time series data

    International Nuclear Information System (INIS)

    Yoshino, Ryuji

    2006-01-01

    Disruption prediction of tokamak plasma has been studied by neural network. The disruption prediction performances by neural network are estimated by the prediction success rate, false alarm rate, and time prior to disruption. The current driving type disruption is predicted by time series data, and plasma lifetime, risk of disruption and plasma stability. Some disruptions generated by density limit, impurity mixture, error magnetic field can be predicted 100 % of prediction success rate by the premonitory symptoms. The pressure driving type disruption phenomena generate some hundred micro seconds before, so that the operation limits such as β N limit of DIII-D and density limit of ADITYA were investigated. The false alarm rate was decreased by β N limit training under stable discharge. The pressure driving disruption generated with increasing plasma pressure can be predicted about 90 % by evaluating plasma stability. (S.Y.)

  18. Theoretical prediction of the electronic transport properties of the Al-Cu alloys based on the first-principle calculation and Boltzmann transport equation

    Science.gov (United States)

    Choi, Garam; Lee, Won Bo

    Metal alloys, especially Al-based, are commonly-used materials for various industrial applications. In this paper, the Al-Cu alloys with varying the Al-Cu ratio were investigated based on the first-principle calculation using density functional theory. And the electronic transport properties of the Al-Cu alloys were carried out using Boltzmann transport theory. From the results, the transport properties decrease with Cu-containing ratio at the temperature from moderate to high, but with non-linearity. It is inferred by various scattering effects from the calculation results with relaxation time approximation. For the Al-Cu alloy system, where it is hard to find the reliable experimental data for various alloys, it supports understanding and expectation for the thermal electrical properties from the theoretical prediction. Theoretical and computational soft matters laboratory.

  19. Theoretical Prediction of an Antimony-Silicon Monolayer (penta-Sb2Si): Band Gap Engineering by Strain Effect

    Science.gov (United States)

    Morshedi, Hosein; Naseri, Mosayeb; Hantehzadeh, Mohammad Reza; Elahi, Seyed Mohammad

    2018-04-01

    In this paper, using a first principles calculation, a two-dimensional structure of silicon-antimony named penta-Sb2Si is predicted. The structural, kinetic, and thermal stabilities of the predicted monolayer are confirmed by the cohesive energy calculation, phonon dispersion analysis, and first principles molecular dynamic simulation, respectively. The electronic properties investigation shows that the pentagonal Sb2Si monolayer is a semiconductor with an indirect band gap of about 1.53 eV (2.1 eV) from GGA-PBE (PBE0 hybrid functional) calculations which can be effectively engineered by employing external biaxial compressive and tensile strain. Furthermore, the optical characteristics calculation indicates that the predicted monolayer has considerable optical absorption and reflectivity in the ultraviolet region. The results suggest that a Sb2Si monolayer has very good potential applications in new nano-optoelectronic devices.

  20. Analyses of Potential Predictive Markers and Response to Targeted Therapy in Patients with Advanced Clear-cell Renal Cell Carcinoma

    Directory of Open Access Journals (Sweden)

    Yan Song

    2015-01-01

    Full Text Available Background: Vascular endothelial growth factor-targeted agents are standard treatments in advanced clear-cell renal cell carcinoma (ccRCC, but biomarkers of activity are lacking. The aim of this study was to investigate the association of Von Hippel-Lindau (VHL gene status, vascular endothelial growth factor receptor (VEGFR or stem cell factor receptor (KIT expression, and their relationships with characteristics and clinical outcome of advanced ccRCC. Methods: A total of 59 patients who received targeted treatment with sunitinib or pazopanib were evaluated for determination at Cancer Hospital and Institute, Chinese Academy of Medical Sciences between January 2010 and November 2012. Paraffin-embedded tumor samples were collected and status of the VHL gene and expression of VEGFR and KIT were determined by VHL sequence analysis and immunohistochemistry. Clinical-pathological features were collected and efficacy such as response rate and Median progression-free survival (PFS and overall survival (OS were calculated and then compared based on expression status. The Chi-square test, the Kaplan-Meier method, and the Lon-rank test were used for statistical analyses. Results: Of 59 patients, objective responses were observed in 28 patients (47.5%. The median PFS was 13.8 months and median OS was 39.9 months. There was an improved PFS in patients with the following clinical features: Male gender, number of metastatic sites 2 or less, VEGFR-2 positive or KIT positive. Eleven patients (18.6% had evidence of VHL mutation, with an objective response rate of 45.5%, which showed no difference with patients with no VHL mutation (47.9%. VHL mutation status did not correlate with either overall response rate (P = 0.938 or PFS (P = 0.277. The PFS was 17.6 months and 22.2 months in VEGFR-2 positive patients and KIT positive patients, respectively, which was significantly longer than that of VEGFR-2 or KIT negative patients (P = 0.026 and P = 0.043. Conclusion

  1. Improving the theoretical prediction for the Bs - B̅s width difference: matrix elements of next-to-leading order ΔB = 2 operators

    Science.gov (United States)

    Davies, Christine; Harrison, Judd; Lepage, G. Peter; Monahan, Christopher; Shigemitsu, Junko; Wingate, Matthew

    2018-03-01

    We present lattice QCD results for the matrix elements of R2 and other dimension-7, ΔB = 2 operators relevant for calculations of Δs, the Bs - B̅s width difference. We have computed correlation functions using 5 ensembles of the MILC Collaboration's 2+1 + 1-flavour gauge field configurations, spanning 3 lattice spacings and light sea quarks masses down to the physical point. The HISQ action is used for the valence strange quarks, and the NRQCD action is used for the bottom quarks. Once our analysis is complete, the theoretical uncertainty in the Standard Model prediction for ΔΓs will be substantially reduced.

  2. Prediction of stress- and strain-based forming limits of automotive thin sheets by numerical, theoretical and experimental methods

    Science.gov (United States)

    Béres, Gábor; Weltsch, Zoltán; Lukács, Zsolt; Tisza, Miklós

    2018-05-01

    Forming limit is a complex concept of limit values related to the onset of local necking in the sheet metal. In cold sheet metal forming, major and minor limit strains are influenced by the sheet thickness, strain path (deformation history) as well as material parameters and microstructure. Forming Limit Curves are plotted in ɛ1 - ɛ2 coordinate system providing the classic strain-based Forming Limit Diagram (FLD). Using the appropriate constitutive model, the limit strains can be changed into the stress-based Forming Limit Diagram (SFLD), irrespective of the strain path. This study is about the effect of the hardening model parameters on defining of limit stress values during Nakazima tests for automotive dual phase (DP) steels. Five limit strain pairs were specified experimentally with the loading of five different sheet geometries, which performed different strain-paths from pure shear (-2ɛ2=ɛ1) up to biaxial stretching (ɛ2=ɛ1). The former works of Hill, Levy-Tyne and Keeler-Brazier made possible some kind of theoretical strain determination, too. This was followed by the stress calculation based on the experimental and theoretical strain data. Since the n exponent in the Nádai expression is varying with the strain at some DP steels, we applied the least-squares method to fit other hardening model parameters (Ludwik, Voce, Hockett-Sherby) to calculate the stress fields belonging to each limit strains. The results showed that each model parameters could produce some discrepancies between the limit stress states in the range of higher equivalent strains than uniaxial stretching. The calculated hardening models were imported to FE code to extend and validate the results by numerical simulations.

  3. Theoretical prediction and experimental confirmation of unusual ternary ordered semiconductor compounds in Sr-Pb-S system.

    Science.gov (United States)

    Hao, Shiqiang; Zhao, Li-Dong; Chen, Chang-Qiang; Dravid, Vinayak P; Kanatzidis, Mercouri G; Wolverton, Christopher M

    2014-01-29

    We examine the thermodynamics of phase separation and ordering in the ternary Ca(x)Pb(1-x)S and Sr(x)Pb(1-x)S systems by density-functional theory combined with a cluster expansion and Monte Carlo simulations. Similar to most other ternary III-V or IV-VI semiconductor alloys, we find that bulk phase separation is thermodynamically preferred for PbS-CaS. However, we predict the surprising existence of stable, ordered ternary compounds in the PbS-SrS system. These phases are previously unreported ordered rocksalt-based compounds: SrPb3S4, SrPbS2, and Sr3PbS4. The stability of these predicted ordered phases is confirmed by transmission electron microscopy observations and band gap measurements. We believe this work paves the way for a combined theory-experiment approach to decipher complex phase relations in multicomponent chalcogenide systems.

  4. Perspectives for tests of neutrino mass generation at the GeV scale. Experimental reach versus theoretical predictions

    Energy Technology Data Exchange (ETDEWEB)

    Rasmussen, Rasmus W.; Winter, Walter

    2016-11-15

    We discuss the parameter space reach of future experiments searching for heavy neutral leptons (HNLs) at the GeV scale in terms of neutrino mass models with three HNL generations. We focus on two classes of models: Generic assumptions (such as random mass matrices or the Casas-Ibarra parameterization) and flavor symmetry-generated models. We demonstrate that the generic approaches lead to comparable parameter space predictions, which tend to be at least partially within the reach of future experiments. On the other hand, specific flavor symmetry models yield more refined predictions, some of these can be more clearly excluded. We also highlight the importance to measure the flavor-dependent couplings of the HNLs as a model discriminator, and we clarify the impact of assumptions frequently used in the literature to show the parameter space reach for the active-sterile mixings.

  5. Perspectives for tests of neutrino mass generation at the GeV scale. Experimental reach versus theoretical predictions

    International Nuclear Information System (INIS)

    Rasmussen, Rasmus W.; Winter, Walter

    2016-11-01

    We discuss the parameter space reach of future experiments searching for heavy neutral leptons (HNLs) at the GeV scale in terms of neutrino mass models with three HNL generations. We focus on two classes of models: Generic assumptions (such as random mass matrices or the Casas-Ibarra parameterization) and flavor symmetry-generated models. We demonstrate that the generic approaches lead to comparable parameter space predictions, which tend to be at least partially within the reach of future experiments. On the other hand, specific flavor symmetry models yield more refined predictions, some of these can be more clearly excluded. We also highlight the importance to measure the flavor-dependent couplings of the HNLs as a model discriminator, and we clarify the impact of assumptions frequently used in the literature to show the parameter space reach for the active-sterile mixings.

  6. Theoretical model for the hydrogen-material interaction as a basis for prediction of the material mechanical properties

    International Nuclear Information System (INIS)

    Indeitsev, D.A.; Polyanskiy, V.A.; Sukhanov, A.A.; Belyaev, A.A.

    2009-01-01

    The natural law concentration of hydrogen inside the materials has a distribution over the different binding energies. This distribution is changing under the mechanical tension. The model of interaction of the small hydrogen concentration with materials provides one with an instrument for modeling the materials fatigue and destruction, as well as the prediction of material properties during exploitation. The well-known models are of the phenomenological nature. However if one takes into account the physical mechanism then one obtains an accurate model and the instrument for the reliable prediction. The two-continuum model of the solid material is a substantiation for the present study. This model describes the interaction between the low concentration of hydrogen and the material. The redistribution of the hydrogen between the different binding energy levels is taken into account, too

  7. Theoretical prediction of Grüneisen parameter for SiO_2.TiO_2 bulk metallic glasses

    International Nuclear Information System (INIS)

    Singh, Chandra K.; Pandey, Brijesh K.; Pandey, Anjani K.

    2016-01-01

    The Grüneisen parameter (γ) is very important to decide the limitations for the prediction of thermoelastic properties of bulk metallic glasses. It can be defined in terms of microscopic and macroscopic parameters of the material in which former is based on vibrational frequencies of atoms in the material while later is closely related to its thermodynamic properties. Different formulation and equation of states are used by the pioneer researchers of this field to predict the true sense of Gruneisen parameter for BMG but for SiO_2.TiO_2 very few and insufficient information is available till now. In the present work we have tested the validity of two different isothermal EOS viz. Poirrior-Tarantola EOS and Usual-Tait EOS to predict the true value of Gruneisen parameter for SiO_2.TiO_2 as a function of compression. Using different thermodynamic limitations related to the material constraints and analyzing obtained result it is concluded that the Poirrior-Tarantola EOS gives better numeric values of Grüneisen parameter (γ) for SiO_2.TiO_2 BMG.

  8. Theoretical modelling of iron nitriding coupled with a nanocrystallisation treatment. Application to numerical predictions for ferritic stainless steels

    Energy Technology Data Exchange (ETDEWEB)

    Panicaud, B., E-mail: benoit.panicaud@utt.fr [ICD-LASMIS, Universite de Technologie de Troyes (UTT), UMR CNRS 6279, 12 rue Marie Curie, 10010 Troyes (France); Chemkhi, M.; Roos, A.; Retraint, D. [ICD-LASMIS, Universite de Technologie de Troyes (UTT), UMR CNRS 6279, 12 rue Marie Curie, 10010 Troyes (France)

    2012-06-15

    This paper analyses a recently developed duplex process combining nitriding with nanocrystallisation. A model is proposed to show how nitrogen diffusion mechanisms are modified within ferritic steels due to the nanostructure near the top surface. This model is based on micro-mechanical and micro-physical approaches, and also on the thermodynamics of irreversible processes. It takes into account size effects influencing the nitrogen diffusion, including mechanical stresses at the different length scales. Several models are investigated and numerical applications are performed. The results are compared to literature in order to demonstrate the generality of the present methodology.

  9. Theoretical prediction of energy release rate for interface crack initiation by thermal stress in environmental barrier coatings for ceramics

    International Nuclear Information System (INIS)

    Kawai, E; Umeno, Y

    2017-01-01

    As weight reduction of turbines for aircraft engines is demanded to improve fuel consumption and curb emission of carbon dioxide, silicon carbide (SiC) fiber reinforced SiC matrix composites (SiC/SiC) are drawing enormous attention as high-pressure turbine materials. For preventing degradation of SiC/SiC, environmental barrier coatings (EBC) for ceramics are deposited on the composites. The purpose of this study is to establish theoretical guidelines for structural design which ensures the mechanical reliability of EBC. We conducted finite element method (FEM) analysis to calculate energy release rates (ERRs) for interface crack initiation due to thermal stress in EBC consisting of Si-based bond coat, Mullite and Ytterbium (Yb)-silicate layers on a SiC/SiC substrate. In the FEM analysis, the thickness of one EBC layer was changed from 25 μm to 200 μm while the thicknesses of the other layers were fixed at 25 μm, 50 μm and 100 μm. We compared ERRs obtained by the FEM analysis and a simple theory for interface crack in a single-layered structure where ERR is estimated as nominal strain energy in the coating layers multiplied by a constant factor (independent of layer thicknesses). We found that, unlike the case of single-layered structures, the multiplication factor is no longer a constant but is determined by the combination of consisting coating layer thicknesses. (paper)

  10. Theoretical prediction of energy release rate for interface crack initiation by thermal stress in environmental barrier coatings for ceramics

    Science.gov (United States)

    Kawai, E.; Umeno, Y.

    2017-05-01

    As weight reduction of turbines for aircraft engines is demanded to improve fuel consumption and curb emission of carbon dioxide, silicon carbide (SiC) fiber reinforced SiC matrix composites (SiC/SiC) are drawing enormous attention as high-pressure turbine materials. For preventing degradation of SiC/SiC, environmental barrier coatings (EBC) for ceramics are deposited on the composites. The purpose of this study is to establish theoretical guidelines for structural design which ensures the mechanical reliability of EBC. We conducted finite element method (FEM) analysis to calculate energy release rates (ERRs) for interface crack initiation due to thermal stress in EBC consisting of Si-based bond coat, Mullite and Ytterbium (Yb)-silicate layers on a SiC/SiC substrate. In the FEM analysis, the thickness of one EBC layer was changed from 25 μm to 200 μm while the thicknesses of the other layers were fixed at 25 μm, 50 μm and 100 μm. We compared ERRs obtained by the FEM analysis and a simple theory for interface crack in a single-layered structure where ERR is estimated as nominal strain energy in the coating layers multiplied by a constant factor (independent of layer thicknesses). We found that, unlike the case of single-layered structures, the multiplication factor is no longer a constant but is determined by the combination of consisting coating layer thicknesses.

  11. Hierarchical representations of the five-factor model of personality in predicting job performance: integrating three organizing frameworks with two theoretical perspectives.

    Science.gov (United States)

    Judge, Timothy A; Rodell, Jessica B; Klinger, Ryan L; Simon, Lauren S; Crawford, Eean R

    2013-11-01

    Integrating 2 theoretical perspectives on predictor-criterion relationships, the present study developed and tested a hierarchical framework in which each five-factor model (FFM) personality trait comprises 2 DeYoung, Quilty, and Peterson (2007) facets, which in turn comprise 6 Costa and McCrae (1992) NEO facets. Both theoretical perspectives-the bandwidth-fidelity dilemma and construct correspondence-suggest that lower order traits would better predict facets of job performance (task performance and contextual performance). They differ, however, as to the relative merits of broad and narrow traits in predicting a broad criterion (overall job performance). We first meta-analyzed the relationship of the 30 NEO facets to overall job performance and its facets. Overall, 1,176 correlations from 410 independent samples (combined N = 406,029) were coded and meta-analyzed. We then formed the 10 DeYoung et al. facets from the NEO facets, and 5 broad traits from those facets. Overall, results provided support for the 6-2-1 framework in general and the importance of the NEO facets in particular. (c) 2013 APA, all rights reserved.

  12. Theoretical prediction of pKa in methanol: testing SM8 and SMD models for carboxylic acids, phenols, and amines.

    Science.gov (United States)

    Miguel, Elizabeth L M; Silva, Poliana L; Pliego, Josefredo R

    2014-05-29

    Methanol is a widely used solvent for chemical reactions and has solvation properties similar to those of water. However, the performance of continuum solvation models in this solvent has not been tested yet. In this report, we have investigated the performance of the SM8 and SMD models for pKa prediction of 26 carboxylic acids, 24 phenols, and 23 amines in methanol. The gas phase contribution was included at the X3LYP/TZVPP+diff//X3LYP/DZV+P(d) level. Using the proton exchange reaction with acetic acid, phenol, and ammonia as reference species leads to RMS error in the range of 1.4 to 3.6 pKa units. This finding suggests that the performance of the continuum models for methanol is similar to that found for aqueous solvent. Application of simple empirical correction through a linear equation leads to accurate pKa prediction, with uncertainty less than 0.8 units with the SM8 method. Testing with the less expensive PBE1PBE/6-311+G** method results in a slight improvement in the results.

  13. Theoretical predictions for α -decay chains of 118 290 -298Og isotopes using a finite-range nucleon-nucleon interaction

    Science.gov (United States)

    Ismail, M.; Adel, A.

    2018-04-01

    The α -decay half-lives of the recently synthesized superheavy nuclei (SHN) are investigated by employing the density dependent cluster model. A realistic nucleon-nucleon (NN ) interaction with a finite-range exchange part is used to calculate the microscopic α -nucleus potential in the well-established double-folding model. The calculated potential is then implemented to find both the assault frequency and the penetration probability of the α particle by means of the Wentzel-Kramers-Brillouin (WKB) approximation in combination with the Bohr-Sommerfeld quantization condition. The calculated values of α -decay half-lives of the recently synthesized Og isotopes and its decay products are in good agreement with the experimental data. Moreover, the calculated values of α -decay half-lives have been compared with those values evaluated using other theoretical models, and it was found that our theoretical values match well with their counterparts. The competition between α decay and spontaneous fission is investigated and predictions for possible decay modes for the unknown nuclei 118 290 -298Og are presented. We studied the behavior of the α -decay half-lives of Og isotopes and their decay products as a function of the mass number of the parent nuclei. We found that the behavior of the curves is governed by proton and neutron magic numbers found from previous studies. The proton numbers Z =114 , 116, 108, 106 and the neutron numbers N =172 , 164, 162, 158 show some magic character. We hope that the theoretical prediction of α -decay chains provides a new perspective to experimentalists.

  14. Continuous real-time in vivo measurement of cerebral nitric oxide supports theoretical predictions of an irreversible switching in cerebral ROS after sufficient exposure to external toxins.

    Science.gov (United States)

    Finnerty, Niall J; O'Riordan, Saidhbhe L; Lowry, John P; Cloutier, Mathieu; Wellstead, Peter

    2013-01-01

    Mathematical models of the interactions between alphasynuclein (αS) and reactive oxygen species (ROS) predict a systematic and irreversible switching to damagingly high levels of ROS after sufficient exposure to risk factors associated with Parkinson's disease (PD). We tested this prediction by continuously monitoring real-time changes in neurochemical levels over periods of several days in animals exposed to a toxin known to cause Parkinsonian symptoms. Nitric oxide (NO) sensors were implanted in the brains of freely moving rats and the NO levels continuously recorded while the animals were exposed to paraquat (PQ) injections of various amounts and frequencies. Long-term, real-time measurement of NO in a cohort of animals showed systematic switching in levels when PQ injections of sufficient size and frequency were administered. The experimental observations of changes in NO imply a corresponding switching in endogenous ROS levels and support theoretical predictions of an irreversible change to damagingly high levels of endogenous ROS when PD risks are sufficiently large. Our current results only consider one form of PD risk, however, we are sufficiently confident in them to conclude that: (i) continuous long-term measurement of neurochemical dynamics provide a novel way to measure the temporal change and system dynamics which determine Parkinsonian damage, and (ii) the bistable feedback switching predicted by mathematical modelling seems to exist and that a deeper analysis of its characteristics would provide a way of understanding the pathogenic mechanisms that initiate Parkinsonian cell damage.

  15. Theoretical Mathematics

    Science.gov (United States)

    Stöltzner, Michael

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

  16. Experimental and Theoretical Investigations to Improve the Predictive Power of Nuclear Reaction Models in Spallation Neutron Production

    International Nuclear Information System (INIS)

    Nuenighoff, K.; Filges, D.; Goldenbaum, F.; Neef, R.D.; Nuenighoff, K.; Paul, N.; Schaal, H.; Sterzenbach, G.; Wohlmuther, M.; Enke, M.; Herbach, C.M.; Hilscher, D.; Jahnke, U.; Tishchenko, V.; Galin, J.; Letourneau, A.; Lott, B.; Peghaire, A.; Pienkowski, L.; Schroeder, U.; Toke, J.; Tietze, A.

    2002-01-01

    In order to design the target station of the European Spallation Source ESS measurements of the neutron production in possible target materials like Pb, Hg and W were performed. The aim of these measurements was to validate the simulation codes and to proof their predictive power. The NESSI experiment allows for the comparison of neutron multiplicity distributions between experiment and simulation, which is a much more sensitive method than only comparing the mean neutron multiplicities. An agreement of better than 10 % was achieved. Various target geometries with diameters up to 15 cm and lengths up to 35 cm over a range from 0.4 till 2.5 GeV incident proton energy were studied. The Monte-Carlo Simulations were performed with the HERMES, LCS, and MCNPX code system. (authors)

  17. Prediction of gas/particle partitioning of polybrominated diphenyl ethers (PBDEs) in global air: A theoretical study

    Science.gov (United States)

    Li, Y.-F.; Ma, W.-L.; Yang, M.

    2015-02-01

    Gas/particle (G/P) partitioning of semi-volatile organic compounds (SVOCs) is an important process that primarily governs their atmospheric fate, long-range atmospheric transport, and their routes of entering the human body. All previous studies on this issue are hypothetically based on equilibrium conditions, the results of which do not predict results from monitoring studies well in most cases. In this study, a steady-state model instead of an equilibrium-state model for the investigation of the G/P partitioning behavior of polybrominated diphenyl ethers (PBDEs) was established, and an equation for calculating the partition coefficients under steady state (KPS) of PBDEs (log KPS = log KPE + logα) was developed in which an equilibrium term (log KPE = log KOA + logfOM -11.91 where fOM is organic matter content of the particles) and a non-equilibrium term (log α, caused by dry and wet depositions of particles), both being functions of log KOA (octanol-air partition coefficient), are included. It was found that the equilibrium is a special case of steady state when the non-equilibrium term equals zero. A criterion to classify the equilibrium and non-equilibrium status of PBDEs was also established using two threshold values of log KOA, log KOA1, and log KOA2, which divide the range of log KOA into three domains: equilibrium, non-equilibrium, and maximum partition domain. Accordingly, two threshold values of temperature t, tTH1 when log KOA = log KOA1 and tTH2 when log KOA = log KOA2, were identified, which divide the range of temperature also into the same three domains for each PBDE congener. We predicted the existence of the maximum partition domain (the values of log KPS reach a maximum constant of -1.53) that every PBDE congener can reach when log KOA ≥ log KOA2, or t ≤ tTH2. The novel equation developed in this study was applied to predict the G/P partition coefficients of PBDEs for our Chinese persistent organic pollutants (POPs) Soil and Air Monitoring

  18. Rapid response predicts 12-month post-treatment outcomes in binge-eating disorder: theoretical and clinical implications

    Science.gov (United States)

    Grilo, C. M.; White, M. A.; Wilson, G. T.; Gueorguieva, R.; Masheb, R. M.

    2011-01-01

    Background We examined rapid response in obese patients with binge-eating disorder (BED) in a clinical trial testing cognitive behavioral therapy (CBT) and behavioral weight loss (BWL). Method Altogether, 90 participants were randomly assigned to CBT or BWL. Assessments were performed at baseline, throughout and post-treatment and at 6- and 12-month follow-ups. Rapid response, defined as ≥70% reduction in binge eating by week four, was determined by receiver operating characteristic curves and used to predict outcomes. Results Rapid response characterized 57% of participants (67% of CBT, 47% of BWL) and was unrelated to most baseline variables. Rapid response predicted greater improvements across outcomes but had different prognostic significance and distinct time courses for CBT versus BWL. Patients receiving CBT did comparably well regardless of rapid response in terms of reduced binge eating and eating disorder psychopathology but did not achieve weight loss. Among patients receiving BWL, those without rapid response failed to improve further. However, those with rapid response were significantly more likely to achieve binge-eating remission (62% v. 13%) and greater reductions in binge-eating frequency, eating disorder psychopathology and weight loss. Conclusions Rapid response to treatment in BED has prognostic significance through 12-month follow-up, provides evidence for treatment specificity and has clinical implications for stepped-care treatment models for BED. Rapid responders who receive BWL benefit in terms of both binge eating and short-term weight loss. Collectively, these findings suggest that BWL might be a candidate for initial intervention in stepped-care models with an evaluation of progress after 1 month to identify non-rapid responders who could be advised to consider a switch to a specialized treatment. PMID:21923964

  19. Theoretical Analyses of Superconductivity in Iron Based ...

    African Journals Online (AJOL)

    fire7-

    expulsion of magnetic field from the interior of a given superconducting material for temperatures below the critical ... replacing lanthanum by magnetic rare earth elements such as Ce, Sm, Nd or Pr and the critical temperature could be ... addition to a small anomaly in the dc magnetic susceptibility. Optical conductivity and.

  20. Theoretical Analyses of Superconductivity in Iron Based ...

    African Journals Online (AJOL)

    fire7-

    using double time temperature dependent Green's function formalism and a suitable decoupling approximation technique, we ... phenomenon of zero electric resistivity in mercury was soon followed by the observation of the superconducting state in ... The iron, Fe2+ forms tetrahedron within the layers. This means that, iron-.

  1. Comparing direct image and wavelet transform-based approaches to analysing remote sensing imagery for predicting wildlife distribution

    NARCIS (Netherlands)

    Murwira, A.; Skidmore, A.K.

    2010-01-01

    In this study we tested the ability to predict the probability of elephant (Loxodonta africana) presence in an agricultural landscape of Zimbabwe based on three methods of measuring the spatial heterogeneity in vegetation cover, where vegetation cover was measured using the Landsat Thematic Mapper

  2. Ultimate compression after impact load prediction in graphite/epoxy coupons using neural network and multivariate statistical analyses

    Science.gov (United States)

    Gregoire, Alexandre David

    2011-07-01

    The goal of this research was to accurately predict the ultimate compressive load of impact damaged graphite/epoxy coupons using a Kohonen self-organizing map (SOM) neural network and multivariate statistical regression analysis (MSRA). An optimized use of these data treatment tools allowed the generation of a simple, physically understandable equation that predicts the ultimate failure load of an impacted damaged coupon based uniquely on the acoustic emissions it emits at low proof loads. Acoustic emission (AE) data were collected using two 150 kHz resonant transducers which detected and recorded the AE activity given off during compression to failure of thirty-four impacted 24-ply bidirectional woven cloth laminate graphite/epoxy coupons. The AE quantification parameters duration, energy and amplitude for each AE hit were input to the Kohonen self-organizing map (SOM) neural network to accurately classify the material failure mechanisms present in the low proof load data. The number of failure mechanisms from the first 30% of the loading for twenty-four coupons were used to generate a linear prediction equation which yielded a worst case ultimate load prediction error of 16.17%, just outside of the +/-15% B-basis allowables, which was the goal for this research. Particular emphasis was placed upon the noise removal process which was largely responsible for the accuracy of the results.

  3. All-theoretical prediction of cabin noise due to impingement of propeller vortices on a wing structure

    Science.gov (United States)

    Martinez, R.; Cole, J. E., III; Martini, K.; Westagard, A.

    1987-01-01

    Reported calculations of structure-borne cabin noise for a small twin engine aircraft powered by tractor propellers rely on the following three-stage methodological breakup of the problem: (1) the unsteady-aerodynamic prediction of wing lift harmonics caused by the whipping action of the vortex system trailed from each propeller; (2) the associated wing/fuselage structural response; (3) the cabin noise field for the computed wall vibration. The first part--the estimate of airloads--skirts a full-fledged aeroelastic situation by assuming the wing to be fixed in space while cancelling the downwash field of the cutting vortices. The model is based on an approximate high-frequency lifting-surface theory justified by the blade rate and flight Mach number of application. Its results drive a finite-element representation of the wing accounting for upper and lower skin surfaces, spars, ribs, and the presence of fuel. The fuselage, modeled as a frame-stiffened cylindrical shell, is bolted to the wing.

  4. Theoretical prediction of sandwiched two-dimensional phosphide binary compound sheets with tunable bandgaps and anisotropic physical properties

    Science.gov (United States)

    Zhang, C. Y.; Yu, M.

    2018-03-01

    Atomic layers of GaP and InP binary compounds with unique anisotropic structural, electronic and mechanical properties have been predicted from first-principle molecular dynamics simulations. These new members of the phosphide binary compound family stabilize to a sandwiched two-dimensional (2D) crystalline structure with orthorhombic lattice symmetry and high buckling of 2.14 Å-2.46 Å. Their vibration modes are similar to those of phosphorene with six Raman active modes ranging from ˜80 cm-1 to 400 cm-1. The speeds of sound in their phonon dispersions reflect anisotropy in their elastic constants, which was further confirmed by their strong directional dependence of Young’s moduli and effective nonlinear elastic moduli. They show wide bandgap semiconductor behavior with fundamental bandgaps of 2.89 eV for GaP and 2.59 eV for InP, respectively, even wider than their bulk counterparts. Such bandgaps were found to be tunable under strain. In particular, a direct-indirect bandgap transition was found under certain strains along zigzag or biaxial orientations, reflecting their promising applications in strain-induced bandgap engineering in nanoelectronics and photovoltaics. Feasible pathways to realize these novel 2D phosphide compounds are also proposed.

  5. Refining Prediction in Treatment-Resistant Depression: Results of Machine Learning Analyses in the TRD III Sample.

    Science.gov (United States)

    Kautzky, Alexander; Dold, Markus; Bartova, Lucie; Spies, Marie; Vanicek, Thomas; Souery, Daniel; Montgomery, Stuart; Mendlewicz, Julien; Zohar, Joseph; Fabbri, Chiara; Serretti, Alessandro; Lanzenberger, Rupert; Kasper, Siegfried

    The study objective was to generate a prediction model for treatment-resistant depression (TRD) using machine learning featuring a large set of 47 clinical and sociodemographic predictors of treatment outcome. 552 Patients diagnosed with major depressive disorder (MDD) according to DSM-IV criteria were enrolled between 2011 and 2016. TRD was defined as failure to reach response to antidepressant treatment, characterized by a Montgomery-Asberg Depression Rating Scale (MADRS) score below 22 after at least 2 antidepressant trials of adequate length and dosage were administered. RandomForest (RF) was used for predicting treatment outcome phenotypes in a 10-fold cross-validation. The full model with 47 predictors yielded an accuracy of 75.0%. When the number of predictors was reduced to 15, accuracies between 67.6% and 71.0% were attained for different test sets. The most informative predictors of treatment outcome were baseline MADRS score for the current episode; impairment of family, social, and work life; the timespan between first and last depressive episode; severity; suicidal risk; age; body mass index; and the number of lifetime depressive episodes as well as lifetime duration of hospitalization. With the application of the machine learning algorithm RF, an efficient prediction model with an accuracy of 75.0% for forecasting treatment outcome could be generated, thus surpassing the predictive capabilities of clinical evaluation. We also supply a simplified algorithm of 15 easily collected clinical and sociodemographic predictors that can be obtained within approximately 10 minutes, which reached an accuracy of 70.6%. Thus, we are confident that our model will be validated within other samples to advance an accurate prediction model fit for clinical usage in TRD. © Copyright 2017 Physicians Postgraduate Press, Inc.

  6. Visual Versus Fully Automated Analyses of 18F-FDG and Amyloid PET for Prediction of Dementia Due to Alzheimer Disease in Mild Cognitive Impairment.

    Science.gov (United States)

    Grimmer, Timo; Wutz, Carolin; Alexopoulos, Panagiotis; Drzezga, Alexander; Förster, Stefan; Förstl, Hans; Goldhardt, Oliver; Ortner, Marion; Sorg, Christian; Kurz, Alexander

    2016-02-01

    Biomarkers of Alzheimer disease (AD) can be imaged in vivo and can be used for diagnostic and prognostic purposes in people with cognitive decline and dementia. Indicators of amyloid deposition such as (11)C-Pittsburgh compound B ((11)C-PiB) PET are primarily used to identify or rule out brain diseases that are associated with amyloid pathology but have also been deployed to forecast the clinical course. Indicators of neuronal metabolism including (18)F-FDG PET demonstrate the localization and severity of neuronal dysfunction and are valuable for differential diagnosis and for predicting the progression from mild cognitive impairment (MCI) to dementia. It is a matter of debate whether to analyze these images visually or using automated techniques. Therefore, we compared the usefulness of both imaging methods and both analyzing strategies to predict dementia due to AD. In MCI participants, a baseline examination, including clinical and imaging assessments, and a clinical follow-up examination after a planned interval of 24 mo were performed. Of 28 MCI patients, 9 developed dementia due to AD, 2 developed frontotemporal dementia, and 1 developed moderate dementia of unknown etiology. The positive and negative predictive values and the accuracy of visual and fully automated analyses of (11)C-PiB for the prediction of progression to dementia due to AD were 0.50, 1.00, and 0.68, respectively, for the visual and 0.53, 1.00, and 0.71, respectively, for the automated analyses. Positive predictive value, negative predictive value, and accuracy of fully automated analyses of (18)F-FDG PET were 0.37, 0.78, and 0.50, respectively. Results of visual analyses were highly variable between raters but were superior to automated analyses. Both (18)F-FDG and (11)C-PiB imaging appear to be of limited use for predicting the progression from MCI to dementia due to AD in short-term follow-up, irrespective of the strategy of analysis. On the other hand, amyloid PET is extremely useful to

  7. Effect of the choice of wave functions on theoretical predictions for symmetry breaking processes: a view from the DKP formalism

    International Nuclear Information System (INIS)

    Nieto, M.M.

    1978-01-01

    When considering an elementary particle matrix element, of necessity one must make an assumption, which often goes unnoticed, as to what formalism should be used for the wave functions. A current or interaction Lagrangian-density matrix-element is of the form V = anti psi/sub out/GAMMA psi/sub in/, where psi/sub in/ and anti psi/sub out/ represent the physical ingoing and outgoing particles, and GAMMA represents the vertex function. A current must have the dimensions of (length) -3 = (mass) 3 in units of h = c = 1. psi/sub in/ and anti psi/sub out/ must be described in terms of the physical on-shell masses or else one has no phase space. It is only the vertex function which can be symmetric in the internal symmetry under consideration. The decision as to how much of the matrix element will be taken to be symmetric and how much of the matrix element will be taken to be associated with on-mass-shell wave functions is a fundamental assumption. Depending on how the assumption is made, different results will be predicted. Normally first-order Dirac wave functions, with dimensions (length) -3 / 2 and second-order Klein--Gordon wave functions with dimensions (length) -1 are considered for spin- 1 / 2 fermions and spin-O bosons, respectively. The types of new results which are obtained if, on the contrary, one chooses to consider bosons in the first-order Duffin--Kemmer--Petiau formalism are discussed. It is argued that the DKP formalism represents a complementary viewpoint to the spectrum generating approach. Both challenge the standard phenomenology: DKP by changing the wave function, spectrum generating by changing the vertex function

  8. Magneto-thermal-acoustic differential-frequency imaging of magnetic nanoparticle with magnetic spatial localization: a theoretical prediction

    Science.gov (United States)

    Piao, Daqing

    2017-02-01

    The magneto-thermo-acoustic effect that we predicted in 2013 refers to the generation of acoustic-pressure wave from magnetic nanoparticle (MNP) when thermally mediated under an alternating magnetic field (AMF) at a pulsed or frequency-chirped application. Several independent experimental studies have since validated magneto-thermoacoustic effect, and a latest report has discovered acoustic-wave generation from MNP at the second-harmonic frequency of the AMF when operating continuously. We propose that applying two AMFs with differing frequencies to MNP will produce acoustic-pressure wave at the summation and difference of the two frequencies, in addition to the two second-harmonic frequencies. Analysis of the specific absorption dynamics of the MNP when exposed to two AMFs of differing frequencies has shown some interesting patterns of acoustic-intensity at the multiple frequency components. The ratio of the acoustic-intensity at the summation-frequency over that of the difference-frequency is determined by the frequency-ratio of the two AMFs, but remains independent of the AMF strengths. The ratio of the acoustic-intensity at the summation- or difference-frequency over that at each of the two second-harmonic frequencies is determined by both the frequency-ratio and the field-strength-ratio of the two AMFs. The results indicate a potential strategy for localization of the source of a continuous-wave magneto-thermalacoustic signal by examining the frequency spectrum of full-field non-differentiating acoustic detection, with the field-strength ratio changed continuously at a fixed frequency-ratio. The practicalities and challenges of this magnetic spatial localization approach for magneto-thermo-acoustic imaging using a simple envisioned set of two AMFs arranged in parallel to each other are discussed.

  9. Mass-loss Rates from Coronal Mass Ejections: A Predictive Theoretical Model for Solar-type Stars

    Energy Technology Data Exchange (ETDEWEB)

    Cranmer, Steven R. [Department of Astrophysical and Planetary Sciences, Laboratory for Atmospheric and Space Physics, University of Colorado, Boulder, CO 80309 (United States)

    2017-05-10

    Coronal mass ejections (CMEs) are eruptive events that cause a solar-type star to shed mass and magnetic flux. CMEs tend to occur together with flares, radio storms, and bursts of energetic particles. On the Sun, CME-related mass loss is roughly an order of magnitude less intense than that of the background solar wind. However, on other types of stars, CMEs have been proposed to carry away much more mass and energy than the time-steady wind. Earlier papers have used observed correlations between solar CMEs and flare energies, in combination with stellar flare observations, to estimate stellar CME rates. This paper sidesteps flares and attempts to calibrate a more fundamental correlation between surface-averaged magnetic fluxes and CME properties. For the Sun, there exists a power-law relationship between the magnetic filling factor and the CME kinetic energy flux, and it is generalized for use on other stars. An example prediction of the time evolution of wind/CME mass-loss rates for a solar-mass star is given. A key result is that for ages younger than about 1 Gyr (i.e., activity levels only slightly higher than the present-day Sun), the CME mass loss exceeds that of the time-steady wind. At younger ages, CMEs carry 10–100 times more mass than the wind, and such high rates may be powerful enough to dispel circumstellar disks and affect the habitability of nearby planets. The cumulative CME mass lost by the young Sun may have been as much as 1% of a solar mass.

  10. Incorporating Variational Local Analysis and Prediction System (vLAPS) Analyses with Nudging Data Assimilation: Methodology and Initial Results

    Science.gov (United States)

    2017-09-01

    in the hybrid scheme. They conclude that in the Lorenz model they investigated, the hybrid scheme cannot result in errors that are simultaneously ...centered on the analysis time. Note that the spatial and temporal refinement of the analyses are taking place simultaneously (i.e., the first analysis...of a strong capping inversion and then a deep elevated mixed layer. At 1800 UTC (Fig. 5b), daytime heating along with the formation of a convective

  11. Prediction of size-fractionated airborne particle-bound metals using MLR, BP-ANN and SVM analyses.

    Science.gov (United States)

    Leng, Xiang'zi; Wang, Jinhua; Ji, Haibo; Wang, Qin'geng; Li, Huiming; Qian, Xin; Li, Fengying; Yang, Meng

    2017-08-01

    Size-fractionated heavy metal concentrations were observed in airborne particulate matter (PM) samples collected from 2014 to 2015 (spanning all four seasons) from suburban (Xianlin) and industrial (Pukou) areas in Nanjing, a megacity of southeast China. Rapid prediction models of size-fractionated metals were established based on multiple linear regression (MLR), back propagation artificial neural network (BP-ANN) and support vector machine (SVM) by using meteorological factors and PM concentrations as input parameters. About 38% and 77% of PM 2.5 concentrations in Xianlin and Pukou, respectively, were beyond the Chinese National Ambient Air Quality Standard limit of 75 μg/m 3 . Nearly all elements had higher concentrations in industrial areas, and in winter among the four seasons. Anthropogenic elements such as Pb, Zn, Cd and Cu showed larger percentages in the fine fraction (ø≤2.5 μm), whereas the crustal elements including Al, Ba, Fe, Ni, Sr and Ti showed larger percentages in the coarse fraction (ø > 2.5 μm). SVM showed a higher training correlation coefficient (R), and lower mean absolute error (MAE) as well as lower root mean square error (RMSE), than MLR and BP-ANN for most metals. All the three methods showed better prediction results for Ni, Al, V, Cd and As, whereas relatively poor for Cr and Fe. The daily airborne metal concentrations in 2015 were then predicted by the fully trained SVM models and the results showed the heaviest pollution of airborne heavy metals occurred in December and January, whereas the lightest pollution occurred in June and July. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Can the lifetime of the superheater tubes be predicted according to the fuel analyses? Assessment from field and laboratory data

    Energy Technology Data Exchange (ETDEWEB)

    Salmenoja, K. [Kvaerner Pulping Oy, Tampere (Finland)

    1998-12-31

    Lifetime of the superheaters in different power boilers is more or less still a mystery. This is especially true in firing biomass based fuels (biofuels), such as bark, forest residues, and straw. Due to the unhomogeneous nature of the biofuels, the lifetime of the superheaters may vary from case to case. Sometimes the lifetime is significantly shorter than originally expected, sometimes no corrosion even in the hottest tubes is observed. This is one of the main reasons why the boiler operators often demand for a better predictability on the corrosion resistance of the materials to avoid unscheduled shutdowns. (orig.) 9 refs.

  13. Can the lifetime of the superheater tubes be predicted according to the fuel analyses? Assessment from field and laboratory data

    Energy Technology Data Exchange (ETDEWEB)

    Salmenoja, K [Kvaerner Pulping Oy, Tampere (Finland)

    1999-12-31

    Lifetime of the superheaters in different power boilers is more or less still a mystery. This is especially true in firing biomass based fuels (biofuels), such as bark, forest residues, and straw. Due to the unhomogeneous nature of the biofuels, the lifetime of the superheaters may vary from case to case. Sometimes the lifetime is significantly shorter than originally expected, sometimes no corrosion even in the hottest tubes is observed. This is one of the main reasons why the boiler operators often demand for a better predictability on the corrosion resistance of the materials to avoid unscheduled shutdowns. (orig.) 9 refs.

  14. Effects of acoustic treatment on the interior noise levels of a twin-engine propeller aircraft - Experimental flight results and theoretical predictions

    Science.gov (United States)

    Beyer, T. B.; Powell, C. A.; Daniels, E. F.; Pope, L. D.

    1984-01-01

    In-flight noise level measurements were made within two cabin configurations of a general aviation business aircraft. The Fairchild Merlin IVC twin-engine aircraft was tested with bare walls and fiberglass insulation and in an executive trim configuration. Narrow-band and octave format data were subjected to analyses which permitted identification of the blade passage harmonics (BPH). Cabin noise level reductions (insertion losses) due to added insulation varied with position in the cabin, the BPH number, cabin pressure, and engine torque. The measurements were closely predicted using the propeller aircraft interior noise (PAIN) mode.

  15. Basic Diagnosis and Prediction of Persistent Contrail Occurrence using High-resolution Numerical Weather Analyses/Forecasts and Logistic Regression. Part II: Evaluation of Sample Models

    Science.gov (United States)

    Duda, David P.; Minnis, Patrick

    2009-01-01

    Previous studies have shown that probabilistic forecasting may be a useful method for predicting persistent contrail formation. A probabilistic forecast to accurately predict contrail formation over the contiguous United States (CONUS) is created by using meteorological data based on hourly meteorological analyses from the Advanced Regional Prediction System (ARPS) and from the Rapid Update Cycle (RUC) as well as GOES water vapor channel measurements, combined with surface and satellite observations of contrails. Two groups of logistic models were created. The first group of models (SURFACE models) is based on surface-based contrail observations supplemented with satellite observations of contrail occurrence. The second group of models (OUTBREAK models) is derived from a selected subgroup of satellite-based observations of widespread persistent contrails. The mean accuracies for both the SURFACE and OUTBREAK models typically exceeded 75 percent when based on the RUC or ARPS analysis data, but decreased when the logistic models were derived from ARPS forecast data.

  16. Reduced CBF recovery detected by longitudinal 3D-SSP SPECT analyses predicts outcome of postoperative patients after subarachnoid haemorrhage.

    Science.gov (United States)

    Mutoh, Tatsushi; Totsune, Tomoko; Takenaka, Shunsuke; Tatewaki, Yasuko; Nakagawa, Manabu; Suarez, Jose I; Taki, Yasuyuki; Ishikawa, Tatsuya

    2018-02-01

    The aim of this study was to evaluate the impact of cerebral blood flow (CBF) recovery obtained from brain single-photon emission computed tomography (SPECT) images on postoperative outcome after aneurysmal subarachnoid haemorrhage (SAH). Twenty-nine patients who had undergone surgical clipping for ruptured anterior communicating artery aneurysms were analyzed prospectively. Routine measurements of CBF were performed using technetium-99 m hexamethyl propyleneamine oxine SPECT on days 4 and 14 after SAH. Regional voxel data analyzed by three dimensional stereotactic surface projection (3D-SSP) were compared between patients and age-matched normal database (NDB). In 3D-SSP analysis of all patients, cortical hypoperfusion around the surgical site in bilateral frontal lobes was evident on day 4 (P SSP SPECT image analyses can be a potential predictor of poor prognosis in postoperative patients after SAH. © 2017 John Wiley & Sons Australia, Ltd.

  17. Evaluation of multivariate statistical analyses for monitoring and prediction of processes in an seawater reverse osmosis desalination plant

    International Nuclear Information System (INIS)

    Kolluri, Srinivas Sahan; Esfahani, Iman Janghorban; Garikiparthy, Prithvi Sai Nadh; Yoo, Chang Kyoo

    2015-01-01

    Our aim was to analyze, monitor, and predict the outcomes of processes in a full-scale seawater reverse osmosis (SWRO) desalination plant using multivariate statistical techniques. Multivariate analysis of variance (MANOVA) was used to investigate the performance and efficiencies of two SWRO processes, namely, pore controllable fiber filterreverse osmosis (PCF-SWRO) and sand filtration-ultra filtration-reverse osmosis (SF-UF-SWRO). Principal component analysis (PCA) was applied to monitor the two SWRO processes. PCA monitoring revealed that the SF-UF-SWRO process could be analyzed reliably with a low number of outliers and disturbances. Partial least squares (PLS) analysis was then conducted to predict which of the seven input parameters of feed flow rate, PCF/SF-UF filtrate flow rate, temperature of feed water, turbidity feed, pH, reverse osmosis (RO)flow rate, and pressure had a significant effect on the outcome variables of permeate flow rate and concentration. Root mean squared errors (RMSEs) of the PLS models for permeate flow rates were 31.5 and 28.6 for the PCF-SWRO process and SF-UF-SWRO process, respectively, while RMSEs of permeate concentrations were 350.44 and 289.4, respectively. These results indicate that the SF-UF-SWRO process can be modeled more accurately than the PCF-SWRO process, because the RMSE values of permeate flowrate and concentration obtained using a PLS regression model of the SF-UF-SWRO process were lower than those obtained for the PCF-SWRO process.

  18. Evaluation of multivariate statistical analyses for monitoring and prediction of processes in an seawater reverse osmosis desalination plant

    Energy Technology Data Exchange (ETDEWEB)

    Kolluri, Srinivas Sahan; Esfahani, Iman Janghorban; Garikiparthy, Prithvi Sai Nadh; Yoo, Chang Kyoo [Kyung Hee University, Yongin (Korea, Republic of)

    2015-08-15

    Our aim was to analyze, monitor, and predict the outcomes of processes in a full-scale seawater reverse osmosis (SWRO) desalination plant using multivariate statistical techniques. Multivariate analysis of variance (MANOVA) was used to investigate the performance and efficiencies of two SWRO processes, namely, pore controllable fiber filterreverse osmosis (PCF-SWRO) and sand filtration-ultra filtration-reverse osmosis (SF-UF-SWRO). Principal component analysis (PCA) was applied to monitor the two SWRO processes. PCA monitoring revealed that the SF-UF-SWRO process could be analyzed reliably with a low number of outliers and disturbances. Partial least squares (PLS) analysis was then conducted to predict which of the seven input parameters of feed flow rate, PCF/SF-UF filtrate flow rate, temperature of feed water, turbidity feed, pH, reverse osmosis (RO)flow rate, and pressure had a significant effect on the outcome variables of permeate flow rate and concentration. Root mean squared errors (RMSEs) of the PLS models for permeate flow rates were 31.5 and 28.6 for the PCF-SWRO process and SF-UF-SWRO process, respectively, while RMSEs of permeate concentrations were 350.44 and 289.4, respectively. These results indicate that the SF-UF-SWRO process can be modeled more accurately than the PCF-SWRO process, because the RMSE values of permeate flowrate and concentration obtained using a PLS regression model of the SF-UF-SWRO process were lower than those obtained for the PCF-SWRO process.

  19. Quasi-laminar stability and sensitivity analyses for turbulent flows: Prediction of low-frequency unsteadiness and passive control

    Science.gov (United States)

    Mettot, Clément; Sipp, Denis; Bézard, Hervé

    2014-04-01

    This article presents a quasi-laminar stability approach to identify in high-Reynolds number flows the dominant low-frequencies and to design passive control means to shift these frequencies. The approach is based on a global linear stability analysis of mean-flows, which correspond to the time-average of the unsteady flows. Contrary to the previous work by Meliga et al. ["Sensitivity of 2-D turbulent flow past a D-shaped cylinder using global stability," Phys. Fluids 24, 061701 (2012)], we use the linearized Navier-Stokes equations based solely on the molecular viscosity (leaving aside any turbulence model and any eddy viscosity) to extract the least stable direct and adjoint global modes of the flow. Then, we compute the frequency sensitivity maps of these modes, so as to predict before hand where a small control cylinder optimally shifts the frequency of the flow. In the case of the D-shaped cylinder studied by Parezanović and Cadot [J. Fluid Mech. 693, 115 (2012)], we show that the present approach well captures the frequency of the flow and recovers accurately the frequency control maps obtained experimentally. The results are close to those already obtained by Meliga et al., who used a more complex approach in which turbulence models played a central role. The present approach is simpler and may be applied to a broader range of flows since it is tractable as soon as mean-flows — which can be obtained either numerically from simulations (Direct Numerical Simulation (DNS), Large Eddy Simulation (LES), unsteady Reynolds-Averaged-Navier-Stokes (RANS), steady RANS) or from experimental measurements (Particle Image Velocimetry - PIV) — are available. We also discuss how the influence of the control cylinder on the mean-flow may be more accurately predicted by determining an eddy-viscosity from numerical simulations or experimental measurements. From a technical point of view, we finally show how an existing compressible numerical simulation code may be used in

  20. Vigas mistas de madeira de reflorestamento e bambu laminado colado: análise teórica e experimental Composite beams of reforestation wood and glue-laminated bamboo: theoretical and experimental analyses

    Directory of Open Access Journals (Sweden)

    Humberto C. Lima Júnior

    2001-12-01

    Full Text Available Neste trabalho, apresenta-se e se discute a análise teórica e experimental de vigas de madeira, reforçadas com bambu. Para tanto, o comportamento mecânico de cinco vigas mistas e duas de madeira foi estudado. A parte interna das vigas mistas foi constituída de Pinus elliottii e o reforço de bambu Dendrocalamus giganteus; este reforço foi disposto tanto na parte inferior como na superior das vigas, além de analisadas diferentes espessuras de reforço. São apresentadas curvas carga vs. deslocamentos e carga vs. deformação. Observou-se aumento da ordem de 50% na rigidez das vigas de Pinus elliottii, quando da presença do reforço de bambu. Finalmente, um estudo numérico em que se utilizou o método dos elementos finitos é apresentado, observando-se boa correlação entre os valores numéricos e experimentais.This paper presents and discusses the experimental and theoretical analyses of layer composite beams of wood strengthened with bamboo. For this, the mechanical behavior of five composite beams and two wood beams was studied. The beam's stuffing was composed of Pinus elliottii and the reinforcement of bamboo Dendrocalamus giganteus. The bamboo reinforcement was placed on the top and at the bottom of the beams. Different thicknesses of reinforcement were investigated. Curves of load vs. displacement and load vs. strain are presented. An increase of 50% was observed in the stiffness, when the composite beams are compared with the wood one. Finally, a numerical study was carried out applying the finite element method and a good agreement was observed between the theoretical and experimental values.

  1. Theoretical prediction and experimental determination of the effect of mold characteristics on temperature and monomer conversion fraction profiles during polymerization of a PMMA-based bone cement.

    Science.gov (United States)

    Vallo, Claudia I

    2002-01-01

    The present work is concerned with applications of a kinetic model for free-radical polymerization of a polymethylmethacrylate-based bone cement. Autocatalytic behavior at the first part of the reaction as well as a diffusion control phenomenon near vitrification are described by the model. Comparison of theoretical computations with experimental measurements for the temperature evolution during batch casting demonstrated the capacity of the proposed model to represent the kinetic behavior of the polymerization reaction. Temperature evolution and monomer conversion were simulated for the cure of the cement in molds made of different materials. The maximum monomer conversion fraction was markedly influenced by the physical properties of the mold material. The unreacted monomer acts as a plasticizer that influences the mechanical behavior of the cement. Hence, the same cement formulation cured in molds of different materials may result in different mechanical response because of the differences in the amounts of residual monomer. Standardization of the mold type to prepare specimens for the mechanical characterization of bone cements is recommended. Theoretical prediction of temperature evolution during hip replacement indicated that for cement thickness lower than 6 mm the peak temperature at the bone-cement interface was below the limit stated for thermal injury (50 degrees C for more than 1 min). The use of thin cement layers is recommended to diminish the risk of thermal injury; however, it is accompanied by an increase in the amount of unreacted monomer present in the cured material. Copyright 2002 Wiley Periodicals, Inc. J Biomed Mater Res (Appl Biomater) 63: 627-642, 2002

  2. The GENOTEND chip: a new tool to analyse gene expression in muscles of beef cattle for beef quality prediction.

    Science.gov (United States)

    Hocquette, Jean-Francois; Bernard-Capel, Carine; Vidal, Veronique; Jesson, Beline; Levéziel, Hubert; Renand, Gilles; Cassar-Malek, Isabelle

    2012-08-15

    bulls slaughtered in year 2, and in the 21 Charolais steers slaughtered in year 1, but not in the group of 19 steers slaughtered in year 2 which differ from the reference group by two factors (gender and year). When the first three groups of animals were analysed together, this subset of genes explained a 4-fold higher proportion of the variability in tenderness than muscle biochemical traits. This study underlined the relevance of the GENOTEND chip to identify markers of beef quality, mainly by confirming previous results and by detecting other genes of the heat shock family as potential markers of beef quality. However, it was not always possible to extrapolate the relevance of these markers to all animal groups which differ by several factors (such as gender or environmental conditions of production) from the initial population of reference in which these markers were identified.

  3. The GENOTEND chip: a new tool to analyse gene expression in muscles of beef cattle for beef quality prediction

    Directory of Open Access Journals (Sweden)

    Hocquette Jean-Francois

    2012-08-01

    validated in the groups of 30 Charolais young bulls slaughtered in year 2, and in the 21 Charolais steers slaughtered in year 1, but not in the group of 19 steers slaughtered in year 2 which differ from the reference group by two factors (gender and year. When the first three groups of animals were analysed together, this subset of genes explained a 4-fold higher proportion of the variability in tenderness than muscle biochemical traits. Conclusion This study underlined the relevance of the GENOTEND chip to identify markers of beef quality, mainly by confirming previous results and by detecting other genes of the heat shock family as potential markers of beef quality. However, it was not always possible to extrapolate the relevance of these markers to all animal groups which differ by several factors (such as gender or environmental conditions of production from the initial population of reference in which these markers were identified.

  4. Factors predicting the development of pressure ulcers in an at-risk population who receive standardized preventive care: secondary analyses of a multicentre randomised controlled trial.

    Science.gov (United States)

    Demarre, Liesbet; Verhaeghe, Sofie; Van Hecke, Ann; Clays, Els; Grypdonck, Maria; Beeckman, Dimitri

    2015-02-01

    To identify predictive factors associated with the development of pressure ulcers in patients at risk who receive standardized preventive care. Numerous studies have examined factors that predict risk for pressure ulcer development. Only a few studies identified risk factors associated with pressure ulcer development in hospitalized patients receiving standardized preventive care. Secondary analyses of data collected in a multicentre randomized controlled trial. The sample consisted of 610 consecutive patients at risk for pressure ulcer development (Braden Score Pressure ulcers in category II-IV were significantly associated with non-blanchable erythema, urogenital disorders and higher body temperature. Predictive factors significantly associated with superficial pressure ulcers were admission to an internal medicine ward, incontinence-associated dermatitis, non-blanchable erythema and a lower Braden score. Superficial sacral pressure ulcers were significantly associated with incontinence-associated dermatitis. Despite the standardized preventive measures they received, hospitalized patients with non-blanchable erythema, urogenital disorders and a higher body temperature were at increased risk for developing pressure ulcers. Improved identification of at-risk patients can be achieved by taking into account specific predictive factors. Even if preventive measures are in place, continuous assessment and tailoring of interventions is necessary in all patients at risk. Daily skin observation can be used to continuously monitor the effectiveness of the intervention. © 2014 John Wiley & Sons Ltd.

  5. Theoretical approach to cell-impedance-controlled lithium transport through Li1-δMn2O4 film electrode with partially inactive fractal surface by analyses of potentiostatic current transient and linear sweep voltammogram

    International Nuclear Information System (INIS)

    Jung, Kyu-Nam; Pyun, Su-Il

    2007-01-01

    Lithium transport through the partially inactive fractal Li 1-δ Mn 2 O 4 film electrode under the cell-impedance-controlled constraint was theoretically investigated by using the kinetic Monte Carlo method based upon random walk approach. Under the cell-impedance-controlled constraint, all the potentiostatic current transients calculated from the totally active and partially inactive fractal electrodes hardly exhibited the generalised Cottrell behaviour and they were significantly affected in shape by the interfacial charge-transfer kinetics. In the case of the linear sweep voltammogram determined from the totally active and partially inactive fractal electrodes, all the power dependence of the peak current on the scan rate above the characteristic scan rate deviated from the generalised Randles-Sevcik behaviour. From the analyses of the current transients and the linear sweep voltammograms simulated with various values of the simulation parameters, it was further recognised that the cell-impedance-controlled lithium transport through the partially inactive fractal Li 1-δ Mn 2 O 4 film electrode strongly deviates from the generalised diffusion-controlled transport behaviour of the electrode with the totally active surface, which is attributed to the impeded interfacial charge-transfer kinetics governed by the surface inhomogeneities including the fractal dimension of the surface and the surface coverage by active sites and by the kinetic parameters including the internal cell resistance

  6. Theoretical predictions for the polarization of the J = 0 - 1 neonlike germanium X-ray laser line in the presence of a directed beam of hot electrons

    International Nuclear Information System (INIS)

    Inal, M.K.; Dubau, J.; Cornille, M.

    1998-01-01

    The polarization of the neonlike germanium J = 0 - 1 laser line, which would arise from the existence of a directed beam of hot electrons in the amplifying plasma, is theoretically investigated. The relative populations of the magnetic sublevels in the lower J = 1 laser level have been determined by allowing for the processes of direct excitation from the 2p 6 ground level and collisional de-excitation from the upper J = 0 laser level. Elastic collisions leading to transitions between the M J = 0 and M J =1 sublevels within the lower level of the lasing line have also been taken into account. The required elastic and inelastic collision strengths for transitions between magnetic sublevels have been computed in a semi-relativistic distorted-wave approximation, for incident electron energies up to 15 keV. Our calculations predict a rather low degree of polarization for the J = 0 - 1 line, although the elastic collisions are found to play a negligibly small role in the redistribution of magnetic sublevel populations. (author)

  7. Taxometric analyses and predictive accuracy of callous-unemotional traits regarding quality of life and behavior problems in non-conduct disorder diagnoses.

    Science.gov (United States)

    Herpers, Pierre C M; Klip, Helen; Rommelse, Nanda N J; Taylor, Mark J; Greven, Corina U; Buitelaar, Jan K

    2017-07-01

    Callous-unemotional (CU) traits have mainly been studied in relation to conduct disorder (CD), but can also occur in other disorder groups. However, it is unclear whether there is a clinically relevant cut-off value of levels of CU traits in predicting reduced quality of life (QoL) and clinical symptoms, and whether CU traits better fit a categorical (taxonic) or dimensional model. Parents of 979 youths referred to a child and adolescent psychiatric clinic rated their child's CU traits on the Inventory of Callous-Unemotional traits (ICU), QoL on the Kidscreen-27, and clinical symptoms on the Child Behavior Checklist. Experienced clinicians conferred DSM-IV-TR diagnoses of ADHD, ASD, anxiety/mood disorders and DBD-NOS/ODD. The ICU was also used to score the DSM-5 specifier 'with limited prosocial emotions' (LPE) of Conduct Disorder. Receiver operating characteristic (ROC) analyses revealed that the predictive accuracy of the ICU and LPE regarding QoL and clinical symptoms was poor to fair, and similar across diagnoses. A clinical cut-off point could not be defined. Taxometric analyses suggested that callous-unemotional traits on the ICU best reflect a dimension rather than taxon. More research is needed on the impact of CU traits on the functional adaptation, course, and response to treatment of non-CD conditions. Copyright © 2017 Elsevier Ireland Ltd. All rights reserved.

  8. Basic Diagnosis and Prediction of Persistent Contrail Occurrence using High-resolution Numerical Weather Analyses/Forecasts and Logistic Regression. Part I: Effects of Random Error

    Science.gov (United States)

    Duda, David P.; Minnis, Patrick

    2009-01-01

    Straightforward application of the Schmidt-Appleman contrail formation criteria to diagnose persistent contrail occurrence from numerical weather prediction data is hindered by significant bias errors in the upper tropospheric humidity. Logistic models of contrail occurrence have been proposed to overcome this problem, but basic questions remain about how random measurement error may affect their accuracy. A set of 5000 synthetic contrail observations is created to study the effects of random error in these probabilistic models. The simulated observations are based on distributions of temperature, humidity, and vertical velocity derived from Advanced Regional Prediction System (ARPS) weather analyses. The logistic models created from the simulated observations were evaluated using two common statistical measures of model accuracy, the percent correct (PC) and the Hanssen-Kuipers discriminant (HKD). To convert the probabilistic results of the logistic models into a dichotomous yes/no choice suitable for the statistical measures, two critical probability thresholds are considered. The HKD scores are higher when the climatological frequency of contrail occurrence is used as the critical threshold, while the PC scores are higher when the critical probability threshold is 0.5. For both thresholds, typical random errors in temperature, relative humidity, and vertical velocity are found to be small enough to allow for accurate logistic models of contrail occurrence. The accuracy of the models developed from synthetic data is over 85 percent for both the prediction of contrail occurrence and non-occurrence, although in practice, larger errors would be anticipated.

  9. Theoretical nuclear physics

    CERN Document Server

    Blatt, John M

    1979-01-01

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

  10. Comparative study of a novel liquid–vapour separator incorporated gravitational loop heat pipe against the conventional gravitational straight and loop heat pipes – Part I: Conceptual development and theoretical analyses

    International Nuclear Information System (INIS)

    Zhang, Xingxing; Shen, Jingchun; He, Wei; Xu, Peng; Zhao, Xudong; Tan, Junyi

    2015-01-01

    Highlights: • We proposed a liquid–vapour separator incorporated gravity-assisted loop heat pipe. • Comparative study of the thermal performance of three heat pipes were conducted. • A dedicated steady-state thermal model of three heat pipes were developed. • Optimum operational settings of the new loop heat pipe were recommended. • The new loop heat pipe could achieve a significantly enhanced heat transfer effect. - Abstract: Aim of the paper is to investigate the thermal performance of a novel liquid–vapour separator incorporated gravity-assisted loop heat pipe (GALHP) (T1), against a conventional GALHP (T2) and a gravitational straight heat pipe (T3), from the conceptual and theoretical aspects. This involved a dedicated conceptual formation, thermo-fluid analyses, and computer modelling and results discussion. The innovative feature of the new GALHP lies in the integration of a dedicated liquid–vapour separator on top of its evaporator section, which removes the potential entrainment between the heat pipe liquid and vapour flows and meanwhile, resolves the inherent ‘dry-out’ problem exhibited in the conventional GALHP. Based on this recognised novelty, a dedicated steady-state thermal model covering the mass continuity, energy conservation and Darcy equations was established. The model was operated at different sets of conditions, thus generating the temperature/pressure contours of the vapour and liquid flows at the evaporator section, the overall thermal resistance, the effective thermal conductivity, and the flow resistances across entire loop. Comparison among these results led to determination of the optimum operational settings of the new GALHP and assessment of the heat-transfer enhancement rate of the new GALHP against the conventional heat pipes. It was suggested that the overall thermal resistance of the three heat pipes (T1, T2, and T3) were 0.10 °C/W, 0.49 °C/W and 0.22 °C/W, while their effective thermal conductivities were

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

    Energy Technology Data Exchange (ETDEWEB)

    Vetere, V

    2002-09-15

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

  12. Effect of preconditioning cobalt and nickel based dental alloys with Bacillus sp. extract on their surface physicochemical properties and theoretical prediction of Candida albicans adhesion

    Energy Technology Data Exchange (ETDEWEB)

    Balouiri, Mounyr, E-mail: b.mounyr@gmail.com [Faculté des Sciences et Techniques, Université Sidi Mohamed Ben Abdellah, BP 2202, 30007 Fez (Morocco); Bouhdid, Samira [Faculté des Sciences de Tétouan, Université Abdelmalek Essaadi, Avenue de Sebta, Mhannech II, 93002 Tétouan (Morocco); Sadiki, Moulay; Ouedrhiri, Wessal; Barkai, Hassan; El Farricha, Omar [Faculté des Sciences et Techniques, Université Sidi Mohamed Ben Abdellah, BP 2202, 30007 Fez (Morocco); Ibnsouda, Saad Koraichi [Faculté des Sciences et Techniques, Université Sidi Mohamed Ben Abdellah, BP 2202, 30007 Fez (Morocco); Cité de l' innovation, Université Sidi Mohamed Ben Abdellah, BP 2626, 30007 Fez (Morocco); Harki, El Houssaine [Faculté des Sciences et Techniques, Université Sidi Mohamed Ben Abdellah, BP 2202, 30007 Fez (Morocco)

    2017-02-01

    Biofilm formation on dental biomaterials is implicated in various oral health problems. Thus the challenge is to prevent the formation of this consortium of microorganisms using a safe approach such as antimicrobial and anti-adhesive natural products. Indeed, in the present study, the effects of an antifungal extract of Bacillus sp., isolated from plant rhizosphere, on the surface physicochemical properties of cobalt and nickel based dental alloys were studied using the contact angle measurements. Furthermore, in order to predict the adhesion of Candida albicans to the treated and untreated dental alloys, the total free energy of adhesion was calculated based on the extended Derjaguin-Landau-Verwey-Overbeek approach. Results showed hydrophobic and weak electron-donor and electron-acceptor characteristics of both untreated dental alloys. After treatment with the antifungal extract, the surface free energy of both dental alloys was influenced significantly, mostly for cobalt based alloy. In fact, treated cobalt based alloy became hydrophilic and predominantly electron donating. Those effects were time-dependent. Consequently, the total free energy of adhesion of C. albicans to this alloy became unfavorable after treatment with the investigated microbial extract. A linear relationship between the electron-donor property and the total free energy of adhesion has been found for both dental alloys. Also, a linear relationship has been found between this latter and the hydrophobicity for the cobalt based alloy. However, the exposure of nickel based alloy to the antifungal extract failed to produce the same effect. - Highlights: • Assessment of dental alloys physicochemical properties using contact angle method • Evaluation for the first time of microbial coating impact on dental alloys surface • Decrease of hydrophobicity of treated cobalt-chromium alloy with antifungal extract • Increase of Lewis base property of treated cobalt-chromium with treatment

  13. Effect of preconditioning cobalt and nickel based dental alloys with Bacillus sp. extract on their surface physicochemical properties and theoretical prediction of Candida albicans adhesion

    International Nuclear Information System (INIS)

    Balouiri, Mounyr; Bouhdid, Samira; Sadiki, Moulay; Ouedrhiri, Wessal; Barkai, Hassan; El Farricha, Omar; Ibnsouda, Saad Koraichi; Harki, El Houssaine

    2017-01-01

    Biofilm formation on dental biomaterials is implicated in various oral health problems. Thus the challenge is to prevent the formation of this consortium of microorganisms using a safe approach such as antimicrobial and anti-adhesive natural products. Indeed, in the present study, the effects of an antifungal extract of Bacillus sp., isolated from plant rhizosphere, on the surface physicochemical properties of cobalt and nickel based dental alloys were studied using the contact angle measurements. Furthermore, in order to predict the adhesion of Candida albicans to the treated and untreated dental alloys, the total free energy of adhesion was calculated based on the extended Derjaguin-Landau-Verwey-Overbeek approach. Results showed hydrophobic and weak electron-donor and electron-acceptor characteristics of both untreated dental alloys. After treatment with the antifungal extract, the surface free energy of both dental alloys was influenced significantly, mostly for cobalt based alloy. In fact, treated cobalt based alloy became hydrophilic and predominantly electron donating. Those effects were time-dependent. Consequently, the total free energy of adhesion of C. albicans to this alloy became unfavorable after treatment with the investigated microbial extract. A linear relationship between the electron-donor property and the total free energy of adhesion has been found for both dental alloys. Also, a linear relationship has been found between this latter and the hydrophobicity for the cobalt based alloy. However, the exposure of nickel based alloy to the antifungal extract failed to produce the same effect. - Highlights: • Assessment of dental alloys physicochemical properties using contact angle method • Evaluation for the first time of microbial coating impact on dental alloys surface • Decrease of hydrophobicity of treated cobalt-chromium alloy with antifungal extract • Increase of Lewis base property of treated cobalt-chromium with treatment

  14. Comments on "Precise model measurements versus theoretical prediction of barrier insertion loss in presence of the ground" [J. Acoust. Soc. Am. 73, 44–54 (1983)

    DEFF Research Database (Denmark)

    Rasmussen, Karsten Bo

    1983-01-01

    Some of the theoretical curves in the article by J. Nicolas et al. [J. Acoust. soc. Am. 73, 44–54 (1983)] appear to be erroneous.......Some of the theoretical curves in the article by J. Nicolas et al. [J. Acoust. soc. Am. 73, 44–54 (1983)] appear to be erroneous....

  15. Measurement of the analysing power T20 in the backward elastic scattering d-vector.p in the region of Δ-excitation and theoretical analysis of this reaction

    International Nuclear Information System (INIS)

    Boudard, A.

    1984-03-01

    We have measured the analysing power T 20 in the backward elastic scattering d.p for 16 energies of the deuteron from 300 MeV to 2300 MeV. This is the region of the observed bump in the backward excitation function of the cross section. This bump is usually thought to be a signature of a Δ(3/2,3/2 + ) dynamically excited in the intermediate state. We have also measured Ay and Ayy from 70 0 to 180 0 for Tsub(d) = 1200 MeV. We have compared both T 20 and the backward cross section with a coherent sum between direct neutron exchange (ONT) and Δ excitation by intermediate exchange of π and rho mesons (TME). The overall shape of the cross section is reproduced. Unlike the earlier measurement from Argonne, there is a deep minimum in T 20 at Tsub(d) = 600 MeV, in agreement with the predictions of direct exchange models. However, an additional structure producing a second minimum at Tsub(d) = 1400 MeV (√S = 3240 MeV) is never reproduced by our calculations. This suggests either that refinements in the Δ treatment are needed or that a new reaction mechanism (resonance) takes place in that region [fr

  16. Can adverse maternal and perinatal outcomes be predicted when blood pressure becomes elevated? Secondary analyses from the CHIPS (Control of Hypertension In Pregnancy Study) randomized controlled trial.

    Science.gov (United States)

    Magee, Laura A; von Dadelszen, Peter; Singer, Joel; Lee, Terry; Rey, Evelyne; Ross, Susan; Asztalos, Elizabeth; Murphy, Kellie E; Menzies, Jennifer; Sanchez, Johanna; Gafni, Amiram; Gruslin, Andrée; Helewa, Michael; Hutton, Eileen; Lee, Shoo K; Logan, Alexander G; Ganzevoort, Wessel; Welch, Ross; Thornton, Jim G; Moutquin, Jean Marie

    2016-07-01

    For women with chronic or gestational hypertension in CHIPS (Control of Hypertension In Pregnancy Study, NCT01192412), we aimed to examine whether clinical predictors collected at randomization could predict adverse outcomes. This was a planned, secondary analysis of data from the 987 women in the CHIPS Trial. Logistic regression was used to examine the impact of 19 candidate predictors on the probability of adverse perinatal (pregnancy loss or high level neonatal care for >48 h, or birthweight hypertension, preeclampsia, or delivery at blood pressure within 1 week before randomization. Continuous variables were represented continuously or dichotomized based on the smaller p-value in univariate analyses. An area-under-the-receiver-operating-curve (AUC ROC) of ≥0.70 was taken to reflect a potentially useful model. Point estimates for AUC ROC were hypertension (0.70, 95% CI 0.67-0.74) and delivery at hypertension develop an elevated blood pressure in pregnancy, or formerly normotensive women develop new gestational hypertension, maternal and current pregnancy clinical characteristics cannot predict adverse outcomes in the index pregnancy. © 2016 The Authors. Acta Obstetricia et Gynecologica Scandinavica published by John Wiley & Sons Ltd on behalf of Nordic Federation of Societies of Obstetrics and Gynecology (NFOG).

  17. Computational fluid dynamics analyses of lateral heat conduction, coolant azimuthal mixing and heat transfer predictions in a BR2 fuel assembly geometry

    International Nuclear Information System (INIS)

    Tzanos, C.P.; Dionne, B.

    2011-01-01

    To support the analyses related to the conversion of the BR2 core from highly-enriched (HEU) to low-enriched (LEU) fuel, the thermal-hydraulics codes PLTEMP and RELAP-3D are used to evaluate the safety margins during steady-state operation (PLTEMP), as well as after a loss-of-flow, loss-of-pressure, or a loss of coolant event (RELAP). In the 1-D PLTEMP and RELAP simulations, conduction in the azimuthal and axial directions is not accounted. The very good thermal conductivity of the cladding and the fuel meat and significant temperature gradients in the lateral directions (axial and azimuthal directions) could lead to a heat flux distribution that is significantly different than the power distribution. To evaluate the significance of the lateral heat conduction, 3-D computational fluid dynamics (CFD) simulations, using the CFD code STAR-CD, were performed. Safety margin calculations are typically performed for a hot stripe, i.e., an azimuthal region of the fuel plates/coolant channel containing the power peak. In a RELAP model, for example, a channel between two plates could be divided into a number of RELAP channels (stripes) in the azimuthal direction. In a PLTEMP model, the effect of azimuthal power peaking could be taken into account by using engineering factors. However, if the thermal mixing in the azimuthal direction of a coolant channel is significant, a stripping approach could be overly conservative by not taking into account this mixing. STAR-CD simulations were also performed to study the thermal mixing in the coolant. Section II of this document presents the results of the analyses of the lateral heat conduction and azimuthal thermal mixing in a coolant channel. Finally, PLTEMP and RELAP simulations rely on the use of correlations to determine heat transfer coefficients. Previous analyses showed that the Dittus-Boelter correlation gives significantly more conservative (lower) predictions than the correlations of Sieder-Tate and Petukhov. STAR-CD 3-D

  18. Prothrombin time is predictive of low plasma prothrombin concentration and clinical outcome in patients with trauma hemorrhage: analyses of prospective observational cohort studies.

    Science.gov (United States)

    Balendran, Clare A; Lövgren, Ann; Hansson, Kenny M; Nelander, Karin; Olsson, Marita; Johansson, Karin J; Brohi, Karim; Fries, Dietmar; Berggren, Anders

    2017-03-14

    Fibrinogen and prothrombin have been suggested to become rate limiting in trauma associated coagulopathy. Administration of fibrinogen is now recommended, however, the importance of prothrombin to patient outcome is unknown. We have utilized two trauma patient databases (database 1 n = 358 and database 2 n = 331) to investigate the relationship of plasma prothrombin concentration on clinical outcome and coagulation status. Database 1 has been used to assess the relationship of plasma prothrombin to administered packed red blood cells (PRBC), clinical outcome and coagulation biomarkers (Prothrombin Time (PT), ROTEM EXTEM Coagulation Time (CT) and Maximum Clot Firmness (MCF)). ROC analyses have been performed to investigate the ability of admission coagulation biomarkers to predict low prothrombin concentration (database 1), massive transfusion and 24 h mortality (database 1 and 2). The importance of prothrombin was further investigated in vitro by PT and ROTEM assays in the presence of a prothrombin neutralizing monoclonal antibody and following step-wise dilution. Patients who survived the first 24 h had higher admission prothrombin levels compared to those who died (94 vs.67 IU/dL). Patients with lower transfusion requirements within the first 24 h (≤10 units of PRBCs) also had higher admission prothrombin levels compared to patients with massive transfusion demands (>10 units of PRBCs) (95 vs.62 IU/dL). Admission PT, in comparison to admission ROTEM EXTEM CT and MCF, was found to be a better predictor of prothrombin concentration <60 IU/dL (AUC 0.94 in database 1), of massive transfusion (AUC 0.92 and 0.81 in database 1 and 2 respectively) and 24 h mortality (AUC 0.90 and 0.78 in database 1 and 2, respectively). In vitro experiments supported a critical role for prothrombin in coagulation and demonstrated that PT and ROTEM EXTEM CT are sensitive methods to measure low prothrombin concentration. Our analyses suggest that prothrombin concentration

  19. 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

  20. Genetically Predicted Body Mass Index and Breast Cancer Risk: Mendelian Randomization Analyses of Data from 145,000 Women of European Descent.

    Directory of Open Access Journals (Sweden)

    Yan Guo

    2016-08-01

    Full Text Available Observational epidemiological studies have shown that high body mass index (BMI is associated with a reduced risk of breast cancer in premenopausal women but an increased risk in postmenopausal women. It is unclear whether this association is mediated through shared genetic or environmental factors.We applied Mendelian randomization to evaluate the association between BMI and risk of breast cancer occurrence using data from two large breast cancer consortia. We created a weighted BMI genetic score comprising 84 BMI-associated genetic variants to predicted BMI. We evaluated genetically predicted BMI in association with breast cancer risk using individual-level data from the Breast Cancer Association Consortium (BCAC (cases  =  46,325, controls  =  42,482. We further evaluated the association between genetically predicted BMI and breast cancer risk using summary statistics from 16,003 cases and 41,335 controls from the Discovery, Biology, and Risk of Inherited Variants in Breast Cancer (DRIVE Project. Because most studies measured BMI after cancer diagnosis, we could not conduct a parallel analysis to adequately evaluate the association of measured BMI with breast cancer risk prospectively.In the BCAC data, genetically predicted BMI was found to be inversely associated with breast cancer risk (odds ratio [OR]  =  0.65 per 5 kg/m2 increase, 95% confidence interval [CI]: 0.56-0.75, p = 3.32 × 10-10. The associations were similar for both premenopausal (OR   =   0.44, 95% CI:0.31-0.62, p  =  9.91 × 10-8 and postmenopausal breast cancer (OR  =  0.57, 95% CI: 0.46-0.71, p  =  1.88 × 10-8. This association was replicated in the data from the DRIVE consortium (OR  =  0.72, 95% CI: 0.60-0.84, p   =   1.64 × 10-7. Single marker analyses identified 17 of the 84 BMI-associated single nucleotide polymorphisms (SNPs in association with breast cancer risk at p < 0.05; for 16 of them, the

  1. Theoretical Issues

    Energy Technology Data Exchange (ETDEWEB)

    Marc Vanderhaeghen

    2007-04-01

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

  2. Theoretical physics

    CERN Document Server

    Joos, Georg

    1986-01-01

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

  3. Theoretical physics

    International Nuclear Information System (INIS)

    Laval, G.

    1988-01-01

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

  4. Theoretical physics

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

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

  5. Evaluating the accuracy of theoretical one-bond 13 C─13 C scalar couplings and their ability to predict structure in a natural product.

    Science.gov (United States)

    Powell, Jacob; Valenti, Domenic; Bobnar, Harley; Drain, Erika; Elliott, Blaine; Frank, Sydney; McCullough, Tyler; Moore, Sean; Kettring, Andrew; Iuliucci, Robbie; Harper, James K

    2017-11-01

    This study explores the feasibility of using a combination of experimental and theoretical 1-bond 13 C─ 13 C scalar couplings ( 1 J CC ) to establish structure in organic compounds, including unknowns. Historically, n J CC and n J CH studies have emphasized 2 and 3-bond couplings, yet 1 J CC couplings exhibit significantly larger variations. Moreover, recent improvements in experimental measurement and data processing methods have made 1 J CC data more available. Herein, an approach is evaluated in which a collection of theoretical structures is created from a partial nuclear magnetic resonance structural characterization. Computed 1 J CC values are compared to experimental data to identify candidates giving the best agreement. This process requires knowledge of the error in theoretical methods, thus the B3LYP, B3PW91, and PBE0 functionals are evaluated by comparing to 27 experimental values from INADEQUATE. Respective errors of ±1.2, ±3.8, and ±2.3 Hz are observed. An initial test of this methodology involves the natural product 5-methylmellein. In this case, only a single candidate matches experimental data with high statistical confidence. This analysis establishes the intramolecular hydrogen-bonding arrangement, ring heteroatom identity, and conformation at one position. This approach is then extended to hydroheptelidic acid, a natural product not fully characterized in prior studies. The experimental/theoretical approach proposed herein identifies a single best-fit structure from among 26 candidates and establishes, for the first time, 1 configuration and 3 conformations to complete the characterization. These results suggest that accurate and complete structural characterizations of many moderately sized organic structures (<800 Da) may be possible using only 1 J CC data. Copyright © 2017 John Wiley & Sons, Ltd.

  6. Development of temporal modelling for forecasting and prediction of malaria infections using time-series and ARIMAX analyses: a case study in endemic districts of Bhutan.

    Science.gov (United States)

    Wangdi, Kinley; Singhasivanon, Pratap; Silawan, Tassanee; Lawpoolsri, Saranath; White, Nicholas J; Kaewkungwal, Jaranit

    2010-09-03

    Malaria still remains a public health problem in some districts of Bhutan despite marked reduction of cases in last few years. To strengthen the country's prevention and control measures, this study was carried out to develop forecasting and prediction models of malaria incidence in the endemic districts of Bhutan using time series and ARIMAX. This study was carried out retrospectively using the monthly reported malaria cases from the health centres to Vector-borne Disease Control Programme (VDCP) and the meteorological data from Meteorological Unit, Department of Energy, Ministry of Economic Affairs. Time series analysis was performed on monthly malaria cases, from 1994 to 2008, in seven malaria endemic districts. The time series models derived from a multiplicative seasonal autoregressive integrated moving average (ARIMA) was deployed to identify the best model using data from 1994 to 2006. The best-fit model was selected for each individual district and for the overall endemic area was developed and the monthly cases from January to December 2009 and 2010 were forecasted. In developing the prediction model, the monthly reported malaria cases and the meteorological factors from 1996 to 2008 of the seven districts were analysed. The method of ARIMAX modelling was employed to determine predictors of malaria of the subsequent month. It was found that the ARIMA (p, d, q) (P, D, Q)s model (p and P representing the auto regressive and seasonal autoregressive; d and D representing the non-seasonal differences and seasonal differencing; and q and Q the moving average parameters and seasonal moving average parameters, respectively and s representing the length of the seasonal period) for the overall endemic districts was (2,1,1)(0,1,1)12; the modelling data from each district revealed two most common ARIMA models including (2,1,1)(0,1,1)12 and (1,1,1)(0,1,1)12. The forecasted monthly malaria cases from January to December 2009 and 2010 varied from 15 to 82 cases in 2009

  7. Silicene: Recent theoretical advances

    KAUST Repository

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

    2016-01-01

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

  8. Silicene: Recent theoretical advances

    KAUST Repository

    Lew Yan Voon, L. C.

    2016-04-14

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

  9. Realistic bandwidth estimation in the theoretically predicted radionuclide inventory of PWR-UO2 spent fuel derived from reactor design and operating data

    International Nuclear Information System (INIS)

    Fast, Ivan

    2017-01-01

    declared for compacted metallic waste residual from the reprocessing of spent fuel assemblies. In Germany, the radionuclide declaration list for the disposal of used fuel assemblies is not yet specified. An estimation of the average radionuclide composition of the burnt-up fuel including the realistic inventory bandwidths for each of relevant radionuclides would be highly desirable beforehand. This information is needed for the development of proof tools for the product quality control or safeguards, but also for the evaluation of various safety scenarios regarding the radionuclide mobility or contamination. This work is focused on the development of a method for the determination of realistic radionuclide bandwidths in cases when no information of reactor design and operating data is available. Reactor parameters are classes as Primary Reactor Parameters of burn-up (BU) and cooling time (CT) that are considered to be known, and so-called Secondary Reactor Parameters (SRPs) that include nine parameters that are analysed: initial enrichment (IE), fuel density (FD), fuel temperature (FT), specific power (SP), downtime (DT), irradiation time (IT), moderator density (MD), moderator temperature (MT) and boric acid concentration (BA) used in the water for reactor control. The modelling of radionuclide inventories is carried out with the burn-up code SCALE 6.1 using the nuclear data library ENDF/B-VII.0. The input data include geometry of the fuel assembly and a set of the associated SRP values. The magnitude of the bandwidth significantly varies for different radionuclides and depends strongly on the primary parameters of burn-up and cooling time. The theoretical bandwidths are validated with experimental data. For this purpose the destructive radiochemical assay (RCA) data are taken from the Spent Fuel Isotopic Composition Database (SFCOMPO), which is maintained by the OECD Nuclear Energy Agency. There is, however, presently insufficient experimental data to validate the

  10. Realistic bandwidth estimation in the theoretically predicted radionuclide inventory of PWR-UO2 spent fuel derived from reactor design and operating data

    Energy Technology Data Exchange (ETDEWEB)

    Fast, Ivan

    2017-06-01

    declared for compacted metallic waste residual from the reprocessing of spent fuel assemblies. In Germany, the radionuclide declaration list for the disposal of used fuel assemblies is not yet specified. An estimation of the average radionuclide composition of the burnt-up fuel including the realistic inventory bandwidths for each of relevant radionuclides would be highly desirable beforehand. This information is needed for the development of proof tools for the product quality control or safeguards, but also for the evaluation of various safety scenarios regarding the radionuclide mobility or contamination. This work is focused on the development of a method for the determination of realistic radionuclide bandwidths in cases when no information of reactor design and operating data is available. Reactor parameters are classes as Primary Reactor Parameters of burn-up (BU) and cooling time (CT) that are considered to be known, and so-called Secondary Reactor Parameters (SRPs) that include nine parameters that are analysed: initial enrichment (IE), fuel density (FD), fuel temperature (FT), specific power (SP), downtime (DT), irradiation time (IT), moderator density (MD), moderator temperature (MT) and boric acid concentration (BA) used in the water for reactor control. The modelling of radionuclide inventories is carried out with the burn-up code SCALE 6.1 using the nuclear data library ENDF/B-VII.0. The input data include geometry of the fuel assembly and a set of the associated SRP values. The magnitude of the bandwidth significantly varies for different radionuclides and depends strongly on the primary parameters of burn-up and cooling time. The theoretical bandwidths are validated with experimental data. For this purpose the destructive radiochemical assay (RCA) data are taken from the Spent Fuel Isotopic Composition Database (SFCOMPO), which is maintained by the OECD Nuclear Energy Agency. There is, however, presently insufficient experimental data to validate the

  11. Theoretical Physics 1. Theoretical Mechanics

    International Nuclear Information System (INIS)

    Dreizler, Reiner M.; Luedde, Cora S.

    2010-01-01

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

  12. Theoretical Physics 1. Theoretical Mechanics

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-01

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

  13. 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)

  14. A theoretical perspective on road safety communication campaigns.

    Science.gov (United States)

    Elvik, Rune

    2016-12-01

    This paper proposes a theoretical perspective on road safety communication campaigns, which may help in identifying the conditions under which such campaigns can be effective. The paper proposes that, from a theoretical point of view, it is reasonable to assume that road user behaviour is, by and large, subjectively rational. This means that road users are assumed to behave the way they think is best. If this assumption is accepted, the best theoretical prediction is that road safety campaigns consisting of persuasive messages only will have no effect on road user behaviour and accordingly no effect on accidents. This theoretical prediction is not supported by meta-analyses of studies that have evaluated the effects of road safety communication campaigns. These analyses conclude that, on the average, such campaigns are associated with an accident reduction. The paper discusses whether this finding can be explained theoretically. The discussion relies on the distinction made by many modern theorists between bounded and perfect rationality. Road user behaviour is characterised by bounded rationality. Hence, if road users can gain insight into the bounds of their rationality, so that they see advantages to themselves of changing behaviour, they are likely to do so. It is, however, largely unknown whether such a mechanism explains why some road safety communication campaigns have been found to be more effective than others. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Theoretical and experimental investigations of stochastic boundaries in tokamaks

    International Nuclear Information System (INIS)

    Ghendrih, Ph.; Grosman, A.; Capes, H.

    1996-01-01

    The physics of stochastic boundaries are reviewed. The stochastic properties of magnetic field lines are recalled and related to the spectrum of the radial magnetic perturbation. The stochastic region, referred to as the divertor volume, is shown to be bounded to the edge plasma. Theoretical predictions for the transport of energy, current and particles in the divertor volume are analysed for both the laminar and ergodic regimes. (K.A.)

  16. Theoretical prediction of the effect of heat transfer parameters on cooling rates of liquid-filled plastic straws used for cryopreservation of spermatozoa.

    Science.gov (United States)

    Sansinen, M; Santos, M V; Zaritzky, N; Baez, R; Chirife, J

    2010-01-01

    Heat transfer plays a key role in cryopreservation of liquid semen in plastic straws. The effect of several parameters on the cooling rate of a liquid-filled polypropylene straw when plunged into liquid nitrogen was investigated using a theoretical model. The geometry of the straw containing the liquid was assimilated as two concentric finite cylinders of different materials: the fluid and the straw; the unsteady-state heat conduction equation for concentric cylinders was numerically solved. Parameters studied include external (convection) heat transfer coefficient (h), the thermal properties of straw manufacturing material and wall thickness. It was concluded that the single most important parameter affecting the cooling rate of a liquid column contained in a straw is the external heat transfer coefficient in LN2. Consequently, in order to attain maximum cooling rates, conditions have to be designed to obtain the highest possible heat transfer coefficient when the plastic straw is plunged in liquid nitrogen.

  17. Theoretical Mechanics Theoretical Physics 1

    CERN Document Server

    Dreizler, Reiner M

    2011-01-01

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

  18. The groningen longitudinal glaucoma study III. The predictive value of frequency-doubling perimetry and GDx nerve fibre analyser test results for the development of glaucomatous visual field loss

    NARCIS (Netherlands)

    Heeg, G. P.; Jansonius, N. M.

    Purpose To investigate whether frequency-doubling perimetry (FDT) and nerve fibre analyser (GDx) test results are able to predict glaucomatous visual field loss in glaucoma suspect patients. Methods A large cohort of glaucoma suspect patients (patients with ocular hypertension or a positive family

  19. Predicting Self-Management Behaviors in Familial Hypercholesterolemia Using an Integrated Theoretical Model: the Impact of Beliefs About Illnesses and Beliefs About Behaviors.

    Science.gov (United States)

    Hagger, Martin S; Hardcastle, Sarah J; Hingley, Catherine; Strickland, Ella; Pang, Jing; Watts, Gerald F

    2016-06-01

    Patients with familial hypercholesterolemia (FH) are at markedly increased risk of coronary artery disease. Regular participation in three self-management behaviors, physical activity, healthy eating, and adherence to medication, can significantly reduce this risk in FH patients. We aimed to predict intentions to engage in these self-management behaviors in FH patients using a multi-theory, integrated model that makes the distinction between beliefs about illness and beliefs about self-management behaviors. Using a cross-sectional, correlational design, patients (N = 110) diagnosed with FH from a clinic in Perth, Western Australia, self-completed a questionnaire that measured constructs from three health behavior theories: the common sense model of illness representations (serious consequences, timeline, personal control, treatment control, illness coherence, emotional representations); theory of planned behavior (attitudes, subjective norms, perceived behavioral control); and social cognitive theory (self-efficacy). Structural equation models for each self-management behavior revealed consistent and statistically significant effects of attitudes on intentions across the three behaviors. Subjective norms predicted intentions for health eating only and self-efficacy predicted intentions for physical activity only. There were no effects for the perceived behavioral control and common sense model constructs in any model. Attitudes feature prominently in determining intentions to engage in self-management behaviors in FH patients. The prominence of these attitudinal beliefs about self-management behaviors, as opposed to illness beliefs, suggest that addressing these beliefs may be a priority in the management of FH.

  20. Application of pathways analyses for site performance prediction for the Gas Centrifuge Enrichment Plant and Oak Ridge Central Waste Disposal Facility

    International Nuclear Information System (INIS)

    Pin, F.G.; Oblow, E.M.

    1984-01-01

    The suitability of the Gas Centrifuge Enrichment Plant and the Oak Ridge Central Waste Disposal Facility for shallow-land burial of low-level radioactive waste is evaluated using pathways analyses. The analyses rely on conservative scenarios to describe the generation and migration of contamination and the potential human exposure to the waste. Conceptual and numerical models are developed using data from comprehensive laboratory and field investigations and are used to simulate the long-term transport of contamination to man. Conservatism is built into the analyses when assumptions concerning future events have to be made or when uncertainties concerning site or waste characteristics exist. Maximum potential doses to man are calculated and compared to the appropriate standards. The sites are found to provide adequate buffer to persons outside the DOE reservations. Conclusions concerning site capacity and site acceptability are drawn. In reaching these conclusions, some consideration is given to the uncertainties and conservatisms involved in the analyses. Analytical methods to quantitatively assess the probability of future events to occur and the sensitivity of the results to data uncertainty may prove useful in relaxing some of the conservatism built into the analyses. The applicability of such methods to pathways analyses is briefly discussed. 18 refs., 9 figs

  1. Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach

    DEFF Research Database (Denmark)

    Ramnarayan, K.; Bohr, Henrik; Jalkanen, Karl J.

    2008-01-01

    We present different means of classifying protein structure. One is made rigorous by mathematical knot invariants that coincide reasonably well with ordinary graphical fold classification and another classification is by packing analysis. Furthermore when constructing our mathematical fold...... classifications, we utilize standard neural network methods for predicting protein fold classes from amino acid sequences. We also make an analysis of the redundancy of the structural classifications in relation to function and ligand binding. Finally we advocate the use of combining the measurement of the VA...

  2. Shape of the self-concept clarity change during group psychotherapy predicts the outcome: an empirical validation of the theoretical model of the self-concept change

    Science.gov (United States)

    Styła, Rafał

    2015-01-01

    Background: Self-Concept Clarity (SCC) describes the extent to which the schemas of the self are internally integrated, well defined, and temporally stable. This article presents a theoretical model that describes how different shapes of SCC change (especially stable increase and “V” shape) observed in the course of psychotherapy are related to the therapy outcome. Linking the concept of Jean Piaget and the dynamic systems theory, the study postulates that a stable SCC increase is needed for the participants with a rather healthy personality structure, while SCC change characterized by a “V” shape or fluctuations is optimal for more disturbed patients. Method: Correlational study in a naturalistic setting with repeated measurements (M = 5.8) was conducted on the sample of 85 patients diagnosed with neurosis and personality disorders receiving intensive eclectic group psychotherapy under routine inpatient conditions. Participants filled in the Self-Concept Clarity Scale (SCCS), Symptoms' Questionnaire KS-II, and Neurotic Personality Questionnaire KON-2006 at the beginning and at the end of the course of psychotherapy. The SCCS was also administered every 2 weeks during psychotherapy. Results: As hypothesized, among the relatively healthiest group of patients the stable SCC increase was related to positive treatment outcome, while more disturbed patients benefited from the fluctuations and “V” shape of SCC change. Conclusions: The findings support the idea that for different personality dispositions either a monotonic increase or transient destabilization of SCC is a sign of a good treatment prognosis. PMID:26579001

  3. Gyromagnetic ratios of low-lying excited states in the even 192-198Pt isotopes; experimental measurements and theoretical predictions

    International Nuclear Information System (INIS)

    Stuchbery, A.E.; Ryan, C.G.; Morrison, I.; Bolotin, H.H.

    1981-01-01

    The gyromagnetic ratios of the 2 2 + and 4 1 + states in 196 Pt were measured relative to that of its 2 1 + level. The thin-foil IMPAC technique was employed utilizing the enhanced transient hyperfine magnetic field present at the nuclei of swiftly recoiling ions traversing magnetized ferromagetic materials. The states of interest were populated by Coulomb excitation using beams of 220-MeV 58 Ni ions. For g(2 1 + ) taken as 0.326+-0.014, the present measurements yielded g(2 2 + ) = 0.30+-0.06 and g(4 1 + ) 0.30+-0.05. These results and those reported by prior workers for the g-factors of corresponding levels in 192 Pt, 194 Pt, 198 Pt are used to trace the systematics of the magnetic moments of these low-lying levels in the even 192 - 198 Pt isotopes. Interacting Boson Approximation model-based calculations of the g-factors of these states were also carried out. The experimental theoretical results are compared

  4. A Maximum Muscle Strength Prediction Formula Using Theoretical Grade 3 Muscle Strength Value in Daniels et al.’s Manual Muscle Test, in Consideration of Age: An Investigation of Hip and Knee Joint Flexion and Extension

    Directory of Open Access Journals (Sweden)

    Hideyuki Usa

    2017-01-01

    Full Text Available This study attempted to develop a formula for predicting maximum muscle strength value for young, middle-aged, and elderly adults using theoretical Grade 3 muscle strength value (moment fair: Mf—the static muscular moment to support a limb segment against gravity—from the manual muscle test by Daniels et al. A total of 130 healthy Japanese individuals divided by age group performed isometric muscle contractions at maximum effort for various movements of hip joint flexion and extension and knee joint flexion and extension, and the accompanying resisting force was measured and maximum muscle strength value (moment max, Mm was calculated. Body weight and limb segment length (thigh and lower leg length were measured, and Mf was calculated using anthropometric measures and theoretical calculation. There was a linear correlation between Mf and Mm in each of the four movement types in all groups, excepting knee flexion in elderly. However, the formula for predicting maximum muscle strength was not sufficiently compatible in middle-aged and elderly adults, suggesting that the formula obtained in this study is applicable in young adults only.

  5. Theoretical predictions of properties and gas-phase chromatography behaviour of carbonyl complexes of group-6 elements Cr, Mo, W, and element 106, Sg.

    Science.gov (United States)

    Pershina, V; Anton, J

    2013-05-07

    Fully relativistic, four-component density functional theory electronic structure calculations were performed for M(CO)6 of group-6 elements Cr, Mo, W, and element 106, Sg, with an aim to predict their adsorption behaviour in the gas-phase chromatography experiments. It was shown that seaborgium hexacarbonyl has a longer M-CO bond, smaller ionization potential, and larger polarizability than the other group-6 molecules. This is explained by the increasing relativistic expansion and destabilization of the (n - 1)d AOs with increasing Z in the group. Using results of the calculations, adsorption enthalpies of the group-6 hexacarbonyls on a quartz surface were predicted via a model of physisorption. According to the results, -ΔHads should decrease from Mo to W, while it should be almost equal--within the experimental error bars--for W and Sg. Thus, we expect that in the future gas-phase chromatography experiments it will be almost impossible--what concerns ΔHads--to distinguish between the W and Sg hexacarbonyls by their deposition on quartz.

  6. Comparison of theoretically predicted and observed Solar Maximum Mission X-ray spectra for the 1980 April 13 and May 9 flares

    International Nuclear Information System (INIS)

    Smith, D.F.; Orwig, L.E.

    1982-01-01

    A method for predicting the hard X-ray spectrum in the 10--100 keV range for compact flares during their initial rise is developed on the basis of a thermal model. Observations of the flares of 1980 April 13, 4:05 U.T., and 1980 May 9, 7:12 U.T. are given and their combined spectra from the Hard X-ray Burst Spectrometer and Hard X-ray Imaging Spectrometer on the Solar Maximum Mission are deduced. Constraints on the cross sectional area of the supposed emitting arch are obtained from data from the Hard X-ray Imaging Spectrometer. A power-law spectrum is predicted for the rise of the flare of April 13 for initial arch densities less than 10 10 cm -3 and also for the flare of May 9 for initial arch densities less than 5.4 x 10 10 cm -3 . In both cases power-law spectra are observed. Limitations and implications of these results are discussed

  7. Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

    Directory of Open Access Journals (Sweden)

    Francisco J. Romero Durán

    2014-09-01

    Full Text Available In a multi-target complex network, the links (Lij represent the interactions between the drug (di and the target (tj, characterized by different experimental measures (Ki, Km, IC50, etc. obtained in pharmacological assays under diverse boundary conditions (cj. In this work, we handle Shannon entropy measures for developing a model encompassing a multi-target network of neuroprotective/neurotoxic compounds reported in the CHEMBL database. The model predicts correctly >8300 experimental outcomes with Accuracy, Specificity, and Sensitivity above 80%–90% on training and external validation series. Indeed, the model can calculate different outcomes for >30 experimental measures in >400 different experimental protocolsin relation with >150 molecular and cellular targets on 11 different organisms (including human. Hereafter, we reported by the first time the synthesis, characterization, and experimental assays of a new series of chiral 1,2-rasagiline carbamate derivatives not reported in previous works. The experimental tests included: (1 assay in absence of neurotoxic agents; (2 in the presence of glutamate; and (3 in the presence of H2O2. Lastly, we used the new Assessing Links with Moving Averages (ALMA-entropy model to predict possible outcomes for the new compounds in a high number of pharmacological tests not carried out experimentally.

  8. Franchise Business Model: Theoretical Insights

    OpenAIRE

    Levickaitė, Rasa; Reimeris, Ramojus

    2010-01-01

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

  9. Shape of the self-concept clarity change during group psychotherapy predicts the outcome: An empirical validation of the theoretical model of the self-concept change

    Directory of Open Access Journals (Sweden)

    Rafał eStyła

    2015-10-01

    Full Text Available Background: Self-concept clarity describes the extent to which the schemas of the self are internally integrated, well defined, and temporally stable. This article presents a theoretical model that describes how different shapes of self-concept clarity change (especially stable increase and V shape observed in the course of psychotherapy are related to the therapy outcome. Linking the concept of Jean Piaget and the dynamic systems theory, the study postulates that a stable self-concept clarity increase is needed for the participants with a rather healthy personality structure, while self-concept clarity change characterized by a V shape or fluctuations is optimal for more disturbed patients. Method: Correlational study in a naturalistic setting with repeated measurements (M=5.8 was conducted on the sample of 85 patients diagnosed with neurosis and personality disorders receiving intensive eclectic group psychotherapy under routine inpatient conditions. Participants filled in the Self-Concept Clarity Scale, Symptoms’ Questionnaire KS-II, and Neurotic Personality Questionnaire KON-2006 at the beginning and at the end of the course of psychotherapy. The Self-Concept Clarity Scale was also administered every two weeks during psychotherapy. Results: As hypothesized, among the relatively healthiest group of patients the stable self-concept clarity increase was related to positive treatment outcome, while more disturbed patients benefited from the fluctuations and V shape of self-concept clarity change. Conclusions: The findings support the idea that for different personality dispositions either a monotonic increase or transient destabilization of self-concept clarity is a sign of a good treatment prognosis.

  10. In silico and cell-based analyses reveal strong divergence between prediction and observation of T-cell-recognized tumor antigen T-cell epitopes.

    Science.gov (United States)

    Schmidt, Julien; Guillaume, Philippe; Dojcinovic, Danijel; Karbach, Julia; Coukos, George; Luescher, Immanuel

    2017-07-14

    Tumor exomes provide comprehensive information on mutated, overexpressed genes and aberrant splicing, which can be exploited for personalized cancer immunotherapy. Of particular interest are mutated tumor antigen T-cell epitopes, because neoepitope-specific T cells often are tumoricidal. However, identifying tumor-specific T-cell epitopes is a major challenge. A widely used strategy relies on initial prediction of human leukocyte antigen-binding peptides by in silico algorithms, but the predictive power of this approach is unclear. Here, we used the human tumor antigen NY-ESO-1 (ESO) and the human leukocyte antigen variant HLA-A*0201 (A2) as a model and predicted in silico the 41 highest-affinity, A2-binding 8-11-mer peptides and assessed their binding, kinetic complex stability, and immunogenicity in A2-transgenic mice and on peripheral blood mononuclear cells from ESO-vaccinated melanoma patients. We found that 19 of the peptides strongly bound to A2, 10 of which formed stable A2-peptide complexes and induced CD8 + T cells in A2-transgenic mice. However, only 5 of the peptides induced cognate T cells in humans; these peptides exhibited strong binding and complex stability and contained multiple large hydrophobic and aromatic amino acids. These results were not predicted by in silico algorithms and provide new clues to improving T-cell epitope identification. In conclusion, our findings indicate that only a small fraction of in silico -predicted A2-binding ESO peptides are immunogenic in humans, namely those that have high peptide-binding strength and complex stability. This observation highlights the need for improving in silico predictions of peptide immunogenicity. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  11. Theoretical predictions of properties and gas-phase chromatography behaviour of bromides of group-5 elements Nb, Ta, and element 105, Db.

    Science.gov (United States)

    Pershina, V; Anton, J

    2012-01-21

    Fully relativistic, four-component density functional theory electronic structure calculations were performed for MBr(5), MOBr(3), MBr(6)(-), KMBr(6), and MBr(5)Cl(-) of group-5 elements Nb, Ta, and element 105, Db, with the aim to predict adsorption behaviour of the bromides in gas-phase chromatography experiments. It was shown that in the atmosphere of HBr/BBr(3), the pentabromides are rather stable, and their stability should increase in the row Nb Ta > Db. This sequence is in agreement with the one observed in the "one-atom-at-a-time" chromatography experiments. Some other scenarios, such as surface oxide formation were also considered but found to be irrelevant. © 2012 American Institute of Physics

  12. A new theoretical approach to the functional meaning of sleep and dreaming in humans based on the maintenance of 'predictive psychic homeostasis'.

    Science.gov (United States)

    Agnati, Luigi F; Barlow, Peter W; Baluška, František; Tonin, Paolo; Guescini, Michele; Leo, Giuseppina; Fuxe, Kjell

    2011-11-01

    Different theories have been put forward during the last decade to explain the functional meaning of sleep and dreaming in humans. In the present paper, a new theory is presented which, while taking advantage of these earlier theories, introduces the following new and original aspects:   • Circadian rhythms relevant to various organs of the body affect the reciprocal interactions which operate to maintain constancy of the internal milieu and thereby also affect the sleep/wakefulness cycle. Particular attention is given to the constancy of natraemia and osmolarity and to the permissive role that the evolution of renal function has had for the evolution of the central nervous system and its integrative actions. • The resetting of neuro-endocrine controls at the onset of wakefulness leads to the acquisition of new information and its integration within previously stored memories. This point is dealt with in relation to Moore-Ede's proposal for the existence of a 'predictive homeostasis'. • The concept of 'psychic homeostasis' is introduced and is considered as one of the most important states since it is aimed at the well-being, or eudemonia, of the human psyche. Sleep and dreaming in humans are discussed as important functions for the maintenance of a newly proposed composite state: that of 'predictive psychic homeostasis'. On the basis of these assumptions, and in accordance with the available neurobiological data, the present paper puts forward the novel hypothesis that sleep and dreaming play important functions in humans by compensating for psychic allostatic overloads. Hence, both consolatory dreams and disturbing nightmares can be part of the vis medicatrix naturae, the natural healing power, in this case, the state of eudemonia.

  13. Theoretical investigation of field-line quality in a driven spheromak

    International Nuclear Information System (INIS)

    Cohen, R.H.; Cohen, B.I.; Berk, H.L.

    2003-01-01

    Theoretical studies aimed at predicting and diagnosing field-line quality in a spheromak are described. These include nonlinear 3-D MHD simulations, stability studies, analyses of confinement in spheromaks dominated by either open (stochastic) field lines or approximate flux surfaces, and a theory of fast electrons as a probe of field-line length. (author)

  14. Molecular and clinical analyses of Greig cephalopolysyndactyly and Pallister-Hall syndromes: Robust phenotype prediction from the type and position of GLI3 mutations

    NARCIS (Netherlands)

    Johnston, Jennifer J.; Olivos-Glander, Isabelle; Killoran, Christina; Elson, Emma; Turner, Joyce T.; Peters, Kathryn F.; Abbott, Margaret H.; Aughton, David J.; Aylsworth, Arthur S.; Bamshad, Michael J.; Booth, Carol; Curry, Cynthia J.; David, Albert; Dinulos, Mary Beth; Flannery, David B.; Fox, Michelle A.; Graham, John M.; Grange, Dorothy K.; Guttmacher, Alan E.; Hannibal, Mark C.; Henn, Wolfram; Hennekam, Raoul C. M.; Holmes, Lewis B.; Hoyme, H. Eugene; Leppig, Kathleen A.; Lin, Angela E.; Macleod, Patrick; Manchester, David K.; Marcelis, Carlo; Mazzanti, Laura; McCann, Emma; McDonald, Marie T.; Mendelsohn, Nancy J.; Moeschler, John B.; Moghaddam, Billur; Neri, Giovanni; Newbury-Ecob, Ruth; Pagon, Roberta A.; Phillips, John A.; Sadler, Laurie S.; Stoler, Joan M.; Tilstra, David; Walsh Vockley, Catherine M.; Zackai, Elaine H.; Zadeh, Touran M.; Brueton, Louise; Black, Graeme Charles M.; Biesecker, Leslie G.

    2005-01-01

    Mutations in the GLI3 zinc-finger transcription factor gene cause Greig cephalopolysyndactyly syndrome (GCPS) and Pallister-Hall syndrome (PHS), which are variable but distinct clinical entities. We hypothesized that GLI3 mutations that predict a truncated functional repressor protein cause PHS and

  15. Can adverse maternal and perinatal outcomes be predicted when blood pressure becomes elevated? Secondary analyses from the CHIPS (Control of Hypertension In Pregnancy Study) randomized controlled trial

    NARCIS (Netherlands)

    Magee, Laura A.; von Dadelszen, Peter; Singer, Joel; Lee, Terry; Rey, Evelyne; Ross, Susan; Asztalos, Elizabeth; Murphy, Kellie E.; Menzies, Jennifer; Sanchez, Johanna; Gafni, Amiram; Gruslin, Andrée; Helewa, Michael; Hutton, Eileen; Lee, Shoo K.; Logan, Alexander G.; Ganzevoort, Wessel; Welch, Ross; Thornton, Jim G.; Moutquin, Jean Marie

    2016-01-01

    Introduction. For women with chronic or gestational hypertension in CHIPS (Control of Hypertension In Pregnancy Study, NCT01192412), we aimed to examine whether clinical predictors collected at randomization could predict adverse outcomes. Material and methods. This was a planned, secondary analysis

  16. Taxometric analyses and predictive accuracy of callous-unemotional traits regarding quality of life and behavior problems in non-conduct disorder diagnoses

    NARCIS (Netherlands)

    Herpers, P.C.M.; Klip, H.; Rommelse, N.N.J.; Taylor, M.J.; Greven, C.U.; Buitelaar, J.K.

    2017-01-01

    Callous-unemotional (CU) traits have mainly been studied in relation to conduct disorder (CD), but can also occur in other disorder groups. However, it is unclear whether there is a clinically relevant cut-off value of levels of CU traits in predicting reduced quality of life (QoL) and clinical

  17. Development of time-trend model for analysing and predicting case pattern of dog bite injury induced rabies-like-illness in Liberia, 2014-2017.

    Science.gov (United States)

    Jomah, N D; Ojo, J F; Odigie, E A; Olugasa, B O

    2014-12-01

    The post-civil war records of dog bite injuries (DBI) and rabies-like-illness (RLI) among humans in Liberia is a vital epidemiological resource for developing a predictive model to guide the allocation of resources towards human rabies control. Whereas DBI and RLI are high, they are largely under-reported. The objective of this study was to develop a time model of the case-pattern and apply it to derive predictors of time-trend point distribution of DBI-RLI cases. A retrospective 6 years data of DBI distribution among humans countrywide were converted to quarterly series using a transformation technique of Minimizing Squared First Difference statistic. The generated dataset was used to train a time-trend model of the DBI-RLI syndrome in Liberia. An additive detenninistic time-trend model was selected due to its performance compared to multiplication model of trend and seasonal movement. Parameter predictors were run on least square method to predict DBI cases for a prospective 4 years period, covering 2014-2017. The two-stage predictive model of DBI case-pattern between 2014 and 2017 was characterised by a uniform upward trend within Liberia's coastal and hinterland Counties over the forecast period. This paper describes a translational application of the time-trend distribution pattern of DBI epidemics, 2008-2013 reported in Liberia, on which a predictive model was developed. A computationally feasible two-stage time-trend permutation approach is proposed to estimate the time-trend parameters and conduct predictive inference on DBI-RLI in Liberia.

  18. Structural, Spectroscopic (FT-IR, Raman and NMR, Non-linear Optical (NLO, HOMO-LUMO and Theoretical (DFT/CAM-B3LYP Analyses of N-Benzyloxycarbonyloxy-5-Norbornene-2,3-Dicarboximide Molecule

    Directory of Open Access Journals (Sweden)

    Nuri ÖZTÜRK

    2018-02-01

    Full Text Available The experimental spectroscopic investigation of N-benzyloxycarbonyloxy-5-norbornene-2,3-dicarboximide (C17H15NO5 molecule has been done using 1H and 13C NMR chemical shifts, FT-IR and Raman spectroscopies. Conformational forms have been determined depending on orientation of N-benzyloxycarbonyloxy and 5-norbornene-2,3-dicarboximide (NDI groups of the title compound. The structural geometric optimizations, vibrational wavenumbers, NMR chemical shifts (in vacuum and chloroform and HOMO-LUMO analyses for all conformers of the title molecule have been done with DFT/CAM-B3LYP method at the 6-311++G(d,p basis set. Additionally, based on the calculated HOMO and LUMO energy values, some molecular properties such as ionization potential (I, electron affinity (A, electronegativity (χ, chemical hardness (h, chemical softness (z, chemical potential (μ and electrophilicity index (w parameters are determined for all conformers. The non-linear optical (NLO properties have been studied for the title molecule. We can say that the experimental spectral data are in accordance with calculated values.

  19. Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, NMR, NBO, electronic properties and frequency estimation analyses on 2,4,5-trichlorobenzene sulfonyl chloride

    Science.gov (United States)

    Gayathri, R.; Arivazhagan, M.

    2012-11-01

    The present work deals with the structural, electronic, and vibrational analyses of the biomolecule 2,4,5-trichlorobenzene sulfonyl chloride (TCBSC). TCBSC is a novel pharmaceutical compound used in dyes, pesticides, pigments, fluorescence brighteners and intermediate for agricultural chemicals in the manufacture of insecticides. Quantum chemical calculation of geometrical structure and energies of TCBSC was carried out by density functional theory (B3LYP) and ab initio (HF) methods at 6-311+G(d,p) and 6-311++G(d,p) standard basis set. The stability of the molecule arising from hyperconjugative interaction and charge delocalization has been analyzed using natural bond orbital (NBO) analysis. NMR analysis shows that the isotropic chemical shifts of carbon and hydrogen atom of TCBSC are giving the reasonable shielding to the molecule. Another interesting property shows nonlinear optical (NLO) behavior. Moreover, we have not only simulated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) but also determined the transition state and energy band gap.

  20. Phase Behaviour of 1-Ethyl-3-methylimidazolium Thiocyanate Ionic Liquid with Catalytic Deactivated Compounds and Water at Several Temperatures: Experiments and Theoretical Predictions

    Directory of Open Access Journals (Sweden)

    Ramalingam Anantharaj

    2011-01-01

    Full Text Available Density, surface tension and refractive index were determined for the binary mixture of catalytic deactivated compounds with 1-ethyl-3-methylimidazolium thiocyanate {[EMIM][SCN]} at temperature of (298.15 to 323.15 K. For all the compounds with ILs, the densities varied linearly in the entire mole fraction with increasing temperature. From the obtained data, the excess molar volume and deviation of surface tension and refractive index have been calculated. A strong interaction was found between similar (cation-thiophene or cation-pyrrole compounds. The interaction of IL with dissimilar compounds such as indoline and quinoline and other multiple ring compounds was found to strongly depend on the composition of IL at any temperatures. For the mixtures, the surface tension decreases in the order of: thiophene > quinoline > pyridine > indoline > pyrrole > water. In general from the excess volume studies, the IL-sulphur/nitrogen mixture has stronger interaction as compared to IL-IL, thiophene-thiophene or pyrrole-pyrrole interaction. The deviation of surface tension was found to be inversely proportional to deviation of refractive index. The quantum chemical based COSMO-RS was used to predict the non-ideal liquid phase activity coefficient for all mixtures. It indicated an inverse relation between activity coefficient and excess molar volumes.

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

    Science.gov (United States)

    Gröting, Melanie; Albe, Karsten

    2014-02-01

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

  2. Theoretical Approaches to Nuclear Proliferation

    Directory of Open Access Journals (Sweden)

    Konstantin S. Tarasov

    2015-01-01

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

  3. A statistical rain attenuation prediction model with application to the advanced communication technology satellite project. 1: Theoretical development and application to yearly predictions for selected cities in the United States

    Science.gov (United States)

    Manning, Robert M.

    1986-01-01

    A rain attenuation prediction model is described for use in calculating satellite communication link availability for any specific location in the world that is characterized by an extended record of rainfall. Such a formalism is necessary for the accurate assessment of such availability predictions in the case of the small user-terminal concept of the Advanced Communication Technology Satellite (ACTS) Project. The model employs the theory of extreme value statistics to generate the necessary statistical rainrate parameters from rain data in the form compiled by the National Weather Service. These location dependent rain statistics are then applied to a rain attenuation model to obtain a yearly prediction of the occurrence of attenuation on any satellite link at that location. The predictions of this model are compared to those of the Crane Two-Component Rain Model and some empirical data and found to be very good. The model is then used to calculate rain attenuation statistics at 59 locations in the United States (including Alaska and Hawaii) for the 20 GHz downlinks and 30 GHz uplinks of the proposed ACTS system. The flexibility of this modeling formalism is such that it allows a complete and unified treatment of the temporal aspects of rain attenuation that leads to the design of an optimum stochastic power control algorithm, the purpose of which is to efficiently counter such rain fades on a satellite link.

  4. Consequences of kriging and land use regression for PM2.5 predictions in epidemiologic analyses: insights into spatial variability using high-resolution satellite data.

    Science.gov (United States)

    Alexeeff, Stacey E; Schwartz, Joel; Kloog, Itai; Chudnovsky, Alexandra; Koutrakis, Petros; Coull, Brent A

    2015-01-01

    Many epidemiological studies use predicted air pollution exposures as surrogates for true air pollution levels. These predicted exposures contain exposure measurement error, yet simulation studies have typically found negligible bias in resulting health effect estimates. However, previous studies typically assumed a statistical spatial model for air pollution exposure, which may be oversimplified. We address this shortcoming by assuming a realistic, complex exposure surface derived from fine-scale (1 km × 1 km) remote-sensing satellite data. Using simulation, we evaluate the accuracy of epidemiological health effect estimates in linear and logistic regression when using spatial air pollution predictions from kriging and land use regression models. We examined chronic (long-term) and acute (short-term) exposure to air pollution. Results varied substantially across different scenarios. Exposure models with low out-of-sample R(2) yielded severe biases in the health effect estimates of some models, ranging from 60% upward bias to 70% downward bias. One land use regression exposure model with >0.9 out-of-sample R(2) yielded upward biases up to 13% for acute health effect estimates. Almost all models drastically underestimated the SEs. Land use regression models performed better in chronic effect simulations. These results can help researchers when interpreting health effect estimates in these types of studies.

  5. A Theoretical Study on Quantitative Prediction and Evaluation of Thermal Residual Stresses in Metal Matrix Composite (Case 1 : Two-Dimensional In-Plane Fiber Distribution)

    International Nuclear Information System (INIS)

    Lee, Joon Hyun; Son, Bong Jin

    1997-01-01

    Although discontinuously reinforced metal matrix composite(MMC) is one of the most promising materials for applications of aerospace, automotive industries, the thermal residual stresses developed in the MMC due to the mismatch in coefficients of thermal expansion between the matrix and the fiber under a temperature change has been pointed out as one of the serious problem in practical applications. There are very limited nondestructive techniques to measure the residual stress of composite materials. However, many difficulties have been reported in their applications. Therefore it is important to establish analytical model to evaluate the thermal residual stress of MMC for practical engineering application. In this study, an elastic model is developed to predict the average thermal residual stresses in the matrix and fiber of a misoriented short fiber composite. The thermal residual stresses are induced by the mismatch in the coefficient of the thermal expansion of the matrix and fiber when the composite is subjected to a uniform temperature change. The model considers two-dimensional in-plane fiber misorientation. The analytical formulation of the model is based on Eshelby's equivalent inclusion method and is unique in that it is able to account for interactions among fibers. This model is more general than past models to investigate the effect of parameters which might influence thermal residual stress in composites. The present model is to investigate the effects of fiber volume fraction, distribution type, distribution cut-off angle, and aspect ratio on thermal residual stress for in-plane fiber misorientation. Fiber volume fraction, aspect ratio, and distribution cut-off angle are shown to have more significant effects on the magnitude of the thermal residual stresses than fiber distribution type for in-plane misorientation

  6. Theoretical predictions of the changes in the irradiance and color of light beams traveling in sugared water caused by optical rotation phenomena, and their possible applications for educational purposes

    Science.gov (United States)

    Tokumitsu, S.; Hasegawa, M.

    2018-05-01

    The coloring phenomena caused by optical rotation of polarized light beams in sugared water can be an appropriate subject for use as an educational tool. In this paper, such coloring phenomena are studied in terms of theory, and the results are compared with experimental results. First, polarized laser beams in red, blue, or green were allowed to travel in sugared water of certain concentrations, and changes in the irradiance of the beams were measured while changing the distance between a pair of polarizing plates arranged in the sugared water. The angle of rotation was then determined for each color. An equation was established for predicting a theoretical value of the angle of rotation for laser beams of specific colors (wavelengths) traveling in sugared water of specific concentrations. The predicted results from the equation exhibited satisfactory agreement with the experimental values obtained from the measurements. In addition, changes in the irradiance of traveling laser beams, as well as the changes in colors observable for white light beams, were also predicted, resulting in good agreement with the observed results.

  7. Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study.

    Science.gov (United States)

    Flores, Efracio Mamani; Gouvea, Rogério Almeida; Piotrowski, Maurício Jeomar; Moreira, Mário Lucio

    2018-02-14

    The engineering of semiconductor materials for the development of solar cells is of great importance today. Two topics are considered to be of critical importance for the efficiency of Grätzel-type solar cells, the efficiency of charge separation and the efficiency of charge carrier transfer. Thus, one research focus is the combination of semiconductor materials with the aim of reducing charge recombination, which occurs by spatial charge separation. From an experimental point of view, the combining of materials can be achieved by decorating a core with a shell of another material resulting in a core-shell system, which allows control of the desired photoelectronic properties. In this context, a computational simulation is mandatory for the atomistic understanding of possible semiconductor combinations and for the prediction of their properties. Considering the construction of ZnO/ZnX (X = S, Se or Te) interfaces, we seek to investigate the electronic influence of the shell (ZnX) on the core (ZnO) and, consequently, find out which of the interfaces would present the appropriate properties for (Grätzel-type) solar cell applications. To perform this study, we have employed density functional theory (DFT) calculations, considering the Perdew-Burke-Ernzerhof (PBE) functional. However, it is well-known that plain DFT fails to describe strong electronic correlated materials where, in general, an underestimation of the band gap is obtained. Thus, to obtain the correct description of the electronic properties, a Hubbard correction was employed, i.e. PBE+U calculations. The PBE+U methodology provided the correct electronic structure properties for bulk ZnO in good agreement with experimental values (99.4%). The ZnO/ZnX interfaces were built and were composed of six ZnO layers and two ZnX layers, which represents the decoration process. The core-shell band gap was 2.2 eV for ZnO/ZnS, ∼1.71 eV for ZnO/ZnSe and ∼0.95 eV for ZnO/ZnTe, which also exhibited a type-II band

  8. Theoretical Approaches to Lignin Chemistry

    OpenAIRE

    Shevchenko, Sergey M.

    1994-01-01

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

  9. Tau decays: A theoretical perspective

    International Nuclear Information System (INIS)

    Marciano, W.J.

    1992-11-01

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

  10. Generation of a predicted protein database from EST data and application to iTRAQ analyses in grape (Vitis vinifera cv. Cabernet Sauvignon) berries at ripening initiation

    Science.gov (United States)

    Lücker, Joost; Laszczak, Mario; Smith, Derek; Lund, Steven T

    2009-01-01

    Background iTRAQ is a proteomics technique that uses isobaric tags for relative and absolute quantitation of tryptic peptides. In proteomics experiments, the detection and high confidence annotation of proteins and the significance of corresponding expression differences can depend on the quality and the species specificity of the tryptic peptide map database used for analysis of the data. For species for which finished genome sequence data are not available, identification of proteins relies on similarity to proteins from other species using comprehensive peptide map databases such as the MSDB. Results We were interested in characterizing ripening initiation ('veraison') in grape berries at the protein level in order to better define the molecular control of this important process for grape growers and wine makers. We developed a bioinformatic pipeline for processing EST data in order to produce a predicted tryptic peptide database specifically targeted to the wine grape cultivar, Vitis vinifera cv. Cabernet Sauvignon, and lacking truncated N- and C-terminal fragments. By searching iTRAQ MS/MS data generated from berry exocarp and mesocarp samples at ripening initiation, we determined that implementation of the custom database afforded a large improvement in high confidence peptide annotation in comparison to the MSDB. We used iTRAQ MS/MS in conjunction with custom peptide db searches to quantitatively characterize several important pathway components for berry ripening previously described at the transcriptional level and confirmed expression patterns for these at the protein level. Conclusion We determined that a predicted peptide database for MS/MS applications can be derived from EST data using advanced clustering and trimming approaches and successfully implemented for quantitative proteome profiling. Quantitative shotgun proteome profiling holds great promise for characterizing biological processes such as fruit ripening initiation and may be further

  11. Generation of a predicted protein database from EST data and application to iTRAQ analyses in grape (Vitis vinifera cv. Cabernet Sauvignon berries at ripening initiation

    Directory of Open Access Journals (Sweden)

    Smith Derek

    2009-01-01

    Full Text Available Abstract Background iTRAQ is a proteomics technique that uses isobaric tags for relative and absolute quantitation of tryptic peptides. In proteomics experiments, the detection and high confidence annotation of proteins and the significance of corresponding expression differences can depend on the quality and the species specificity of the tryptic peptide map database used for analysis of the data. For species for which finished genome sequence data are not available, identification of proteins relies on similarity to proteins from other species using comprehensive peptide map databases such as the MSDB. Results We were interested in characterizing ripening initiation ('veraison' in grape berries at the protein level in order to better define the molecular control of this important process for grape growers and wine makers. We developed a bioinformatic pipeline for processing EST data in order to produce a predicted tryptic peptide database specifically targeted to the wine grape cultivar, Vitis vinifera cv. Cabernet Sauvignon, and lacking truncated N- and C-terminal fragments. By searching iTRAQ MS/MS data generated from berry exocarp and mesocarp samples at ripening initiation, we determined that implementation of the custom database afforded a large improvement in high confidence peptide annotation in comparison to the MSDB. We used iTRAQ MS/MS in conjunction with custom peptide db searches to quantitatively characterize several important pathway components for berry ripening previously described at the transcriptional level and confirmed expression patterns for these at the protein level. Conclusion We determined that a predicted peptide database for MS/MS applications can be derived from EST data using advanced clustering and trimming approaches and successfully implemented for quantitative proteome profiling. Quantitative shotgun proteome profiling holds great promise for characterizing biological processes such as fruit ripening

  12. Theoretical and Computational Analyses of Bernoulli Levitation Flows

    Energy Technology Data Exchange (ETDEWEB)

    Nam, Jong Soon; Kim, Gyu Wan; Kim, Jin Hyeon; Kim, Heuy Dong [Andong Nat' l Univ., Andong (Korea, Republic of)

    2013-07-15

    Pneumatic levitation is based upon Bernoulli's principle. However, this method is known to require a large gas flow rate that can lead to an increase in the cost of products. In this case, the gas flow rate should be increased, and the compressible effects of the gas may be of practical importance. In the present study, a computational fluid dynamics method has been used to obtain insights into Bernoulli levitation flows. Three-dimensional compressible Navier-Stokes equations in combination with the SST k-{omega} turbulence model were solved using a fully implicit finite volume scheme. The gas flow rate, work piece diameter,and clearance gap between the work piece and the circular cylinder were varied to investigate the flow characteristics inside. It is known that there is an optimal clearance gap for the lifting force and that increasing the supply gas flow rate results in a larger lifting force.

  13. Theoretical and Computational Analyses of Bernoulli Levitation Flows

    International Nuclear Information System (INIS)

    Nam, Jong Soon; Kim, Gyu Wan; Kim, Jin Hyeon; Kim, Heuy Dong

    2013-01-01

    Pneumatic levitation is based upon Bernoulli's principle. However, this method is known to require a large gas flow rate that can lead to an increase in the cost of products. In this case, the gas flow rate should be increased, and the compressible effects of the gas may be of practical importance. In the present study, a computational fluid dynamics method has been used to obtain insights into Bernoulli levitation flows. Three-dimensional compressible Navier-Stokes equations in combination with the SST k-ω turbulence model were solved using a fully implicit finite volume scheme. The gas flow rate, work piece diameter,and clearance gap between the work piece and the circular cylinder were varied to investigate the flow characteristics inside. It is known that there is an optimal clearance gap for the lifting force and that increasing the supply gas flow rate results in a larger lifting force

  14. Energy consumption patterns. A theoretical analysis; Energieverbrauchsverhalten. Eine theoretische Analyse

    Energy Technology Data Exchange (ETDEWEB)

    Flandrich, D.

    2006-07-01

    The author questions the methodological and methodical foundations of energy consumption research and attempts a theory of energy consumption patterns on the basis of psychology, opening up a quite new perspective that has been neglected so far. Energy policy and energy marketing are two fields of applications which are getting more important in these times of increasing prices of energy resources, high public awareness of environmental issues, and deregulated energy markets. (orig.)

  15. High-level radioactive waste disposal type and theoretical analyses

    International Nuclear Information System (INIS)

    Lu Yingfa; Wu Yanchun; Luo Xianqi; Cui Yujun

    2006-01-01

    Study of high-level radioactive waste disposal is necessary for the nuclear electrical development; the determination of nuclear waste depository type is one of importance safety. Based on the high-level radioactive disposal type, the relative research subjects are proposed, then the fundamental research characteristics of nuclear waste disposition, for instance: mechanical and hydraulic properties of rock mass, saturated and unsaturated seepage, chemical behaviors, behavior of special soil, and gas behavior, etc. are introduced, the relative coupling equations are suggested, and a one dimensional result is proposed. (authors)

  16. Effects of pharmacists' interventions on appropriateness of prescribing and evaluation of the instruments' (MAI, STOPP and STARTs' ability to predict hospitalization--analyses from a randomized controlled trial.

    Directory of Open Access Journals (Sweden)

    Ulrika Gillespie

    Full Text Available Appropriateness of prescribing can be assessed by various measures and screening instruments. The aims of this study were to investigate the effects of pharmacists' interventions on appropriateness of prescribing in elderly patients, and to explore the relationship between these results and hospital care utilization during a 12-month follow-up period.The study population from a previous randomized controlled study, in which the effects of a comprehensive pharmacist intervention on re-hospitalization was investigated, was used. The criteria from the instruments MAI, STOPP and START were applied retrospectively to the 368 study patients (intervention group (I n = 182, control group (C n = 186. The assessments were done on admission and at discharge to detect differences over time and between the groups. Hospital care consumption was recorded and the association between scores for appropriateness, and hospitalization was analysed.The number of Potentially Inappropriate Medicines (PIMs per patient as identified by STOPP was reduced for I but not for C (1.42 to 0.93 vs. 1.46 to 1.66 respectively, p<0.01. The number of Potential Prescription Omissions (PPOs per patient as identified by START was reduced for I but not for C (0.36 to 0.09 vs. 0.42 to 0.45 respectively, p<0.001. The summated score for MAI was reduced for I but not for C (8.5 to 5.0 and 8.7 to 10.0 respectively, p<0.001. There was a positive association between scores for MAI and STOPP and drug-related readmissions (RR 8-9% and 30-34% respectively. No association was detected between the scores of the tools and total re-visits to hospital.The interventions significantly improved the appropriateness of prescribing for patients in the intervention group as evaluated by the instruments MAI, STOPP and START. High scores in MAI and STOPP were associated with a higher number of drug-related readmissions.

  17. Hydrophysical conditions and periphyton in natural rivers. Analysis and predictive modelling of periphyton by changed regulations; Hydrofysiske forhold og begroing i naturlige elver. Analyse og prediktiv modellering av begroing ved reguleringsendringer

    Energy Technology Data Exchange (ETDEWEB)

    Stokseth, S

    1994-10-01

    The objective of this thesis has been to examine the interaction between hydrodynamical and physical factors and the temporal and spatial dynamics of periphyton in natural steep rivers. The study strategy has been to work with quantitative system variables to be able to evaluate the potential usability of a predictive model for periphyton changes as a response to river regulations. The thesis is constituted by a theoretical and an empirical study. The theoretical study is aimed at presenting a conceptual model of the relevant factors based on an analysis of published studies. Effort has been made to evaluate and present the background material in a structured way. To concurrently handle the spatial and temporal dynamics of periphyton a new method for data collection has been developed. A procedure for quantifying the photo registrations has been developed. The simple hydrodynamical parameters were estimated from a set of standard formulas whereas the complex parameters were estimated from a three dimensional simulation model called SSIIM. The main conclusion from the analysis is that flood events are the major controlling factors wrt. periphyton biomass and that water temperature is of major importance for the periphyton resistance. Low temperature clearly increases the periphyton erosion resistance. Thus, to model or control the temporal dynamics the river periphyton, the water temperature and the frequency and size of floods should be regarded the most significant controlling factors. The data in this study has been collected from a river with a stable water quality and frequent floods. 109 refs., 41 figs., 34 tabs.

  18. 拉车作业之肌肉疲劳分析与预测%Analyses and Predictions of Muscular Fatigue For Pulling Tasks

    Institute of Scientific and Technical Information of China (English)

    唐范; 李开伟; 易灿南; 彭露

    2017-01-01

    目的 本研究的第一个目的是以肌力下降、耐受时间及主观评价来比较在不同负荷水平下拉车作业造成的肌肉疲劳水平;第二个目的是建立数学模型来量化拉车作业造成肌肉疲劳的程度;最终目的为提供拉车作业工作设计的提供依据,以降低劳动者肌肉骨骼伤害的风险.方法 通过设计模拟手拉叉车实验,测量两种负荷下被试的实验前后拉力值、持续施力的耐受时间以及身体疲劳主观评价的数据,进行肌肉疲劳分析.结果 实验数据显示拉车作业产生肌肉疲劳,性别和负荷对耐受时间、拉力下降速率产生显着影响;性别也显著影响被试对疲劳的主观评价,身体质量指数是影响耐受时间的显著因子.结论 拉车作业中肌肉疲劳会导致拉力显著下降;性别是影响肌肉疲劳的重要因子,女性被试比男性被试更易疲劳;根据预测函数模型计算的男、女被试的疲劳速率k值分别为0.071、0.099.%Objective The first purpose of this study was to compare the muscular fatigue levels between different workloads for pulling tasks via the analyses of muscular strength decrease, endurance time, and subjective ratings.The second purpose of this study was to establish mathematic models to quantify muscular strength for pulling tasks with the ultimate goal of providing basis for job design for pulling tasks so as to reduce the risk of musculoskeletal disorders.Methods A simulated pallet truck pulling task was designed to investigate the developing of muscular fatigue in performing a truck pulling task.The muscular strength of pulling before and after performing the pulling task, endurance time and the subjective ratings on muscular fatigue were analyzed.Results Pulling tasks resulted in muscular fatigue.Gender and workload significantly affected endurance time, and the decrease rate of the pulling strength.Gender affected the subjective ratings on muscular fatigue significantly

  19. Area under the curve predictions of dalbavancin, a new lipoglycopeptide agent, using the end of intravenous infusion concentration data point by regression analyses such as linear, log-linear and power models.

    Science.gov (United States)

    Bhamidipati, Ravi Kanth; Syed, Muzeeb; Mullangi, Ramesh; Srinivas, Nuggehally

    2018-02-01

    1. Dalbavancin, a lipoglycopeptide, is approved for treating gram-positive bacterial infections. Area under plasma concentration versus time curve (AUC inf ) of dalbavancin is a key parameter and AUC inf /MIC ratio is a critical pharmacodynamic marker. 2. Using end of intravenous infusion concentration (i.e. C max ) C max versus AUC inf relationship for dalbavancin was established by regression analyses (i.e. linear, log-log, log-linear and power models) using 21 pairs of subject data. 3. The predictions of the AUC inf were performed using published C max data by application of regression equations. The quotient of observed/predicted values rendered fold difference. The mean absolute error (MAE)/root mean square error (RMSE) and correlation coefficient (r) were used in the assessment. 4. MAE and RMSE values for the various models were comparable. The C max versus AUC inf exhibited excellent correlation (r > 0.9488). The internal data evaluation showed narrow confinement (0.84-1.14-fold difference) with a RMSE models predicted AUC inf with a RMSE of 3.02-27.46% with fold difference largely contained within 0.64-1.48. 5. Regardless of the regression models, a single time point strategy of using C max (i.e. end of 30-min infusion) is amenable as a prospective tool for predicting AUC inf of dalbavancin in patients.

  20. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces

    International Nuclear Information System (INIS)

    Pershina, V.; Borschevsky, A.; Iliaš, M.; Türler, A.

    2014-01-01

    With the aim to interpret results of gas-phase chromatography experiments on volatility of group-4 tetrachlorides and oxychlorides including those of Rf, adsorption enthalpies of these species on neutral, and modified quartz surfaces were estimated on the basis of relativistic, two-component Density Functional Theory calculations of MCl 4 , MOCl 2 , MCl 6 − , and MOCl 4 2 with the use of adsorption models. Several mechanisms of adsorption were considered. In the case of physisorption of MCl 4 , the trend in the adsorption energy in the group should be Zr > Hf > Rf, so that the volatility should change in the opposite direction. The latter trend complies with the one in the sublimation enthalpies, ΔH sub , of the Zr and Hf tetrachlorides, i.e., Zr < Hf. On the basis of a correlation between these quantities, ΔH sub (RfCl 4 ) was predicted as 104.2 kJ/mol. The energy of physisorption of MOCl 2 on quartz should increase in the group, Zr < Hf < Rf, as defined by increasing dipole moments of these molecules along the series. In the case of adsorption of MCl 4 on quartz by chemical forces, formation of the MOCl 2 or MOCl 4 2− complexes on the surface can take place, so that the sequence in the adsorption energy should be Zr > Hf > Rf, as defined by the complex formation energies. In the case of adsorption of MCl 4 on a chlorinated quartz surface, formation of the MCl 6 2− surface complexes can occur, so that the trend in the adsorption strength should be Zr ≤ Hf < Rf. All the predicted sequences, showing a smooth change of the adsorption energy in the group, are in disagreement with the reversed trend Zr ≈ Rf < Hf, observed in the “one-atom-at-a-time” gas-phase chromatography experiments. Thus, currently no theoretical explanation can be found for the experimental observations

  1. Review of Theoretical Prediction Models for Organic Extract Metabolites, Effect of Drying Temperature on Smooth Muscle Relaxing Activity Induced by Organic Extracts Specially Cecropia Obtusifolia Portal and Web Server Predictors of Drug-Protein Interaction.

    Science.gov (United States)

    Aguirre-Crespo, Francisco; García-Mera, Xerardo; Guillén-Poot, Mónica Anahi; May-Díaz, Héctor Fernado; Tun-Suárez, Adrián; Aguirre-Crespo, A; Hernández-Rodríguez, J; Vergara-Galicia, Jorge; Rodríguez-López, V; Prado-Prado, Francisco J

    2015-02-19

    Cecropia obtusifolia bertol is medicinal specie used in the treatment of diabetes mellitus and hypertension and it has scientific studies that support the traditional use. However, it is required to understand the influence of drying temperature on the yield and pharmacological activity. Drying rate, extraction efficiency, changes in the UV-Vis spectrum and estimating chlorophylls were stimulated with the increasing temperature. Finally, relaxant activity of vascular smooth muscle is increased by 70ºC and reducing ability by the method of CARF increases with temperature. Analytical studies are required to identify changes in the metabolic content and those that ensure the safety and efficacy for human consumption. In this sense, bioinformatic studies may be helpful. Studies such as QSAR can help us to study these metabolites derived from natural products. MIND-BETS model and NL MIND-BETS model to predict DPIs was introduced using MARCH-INSIDE (MI) software to calculate structural parameters for drugs and enzymes respectively. We firstly revised the state-of-art on the design with review of previous works with hypertension activity based on theoretical studies. A study, evaluating the effect of drying temperature of leaves of C. obtusifolia on the relaxing of vascular smooth muscle, antioxidant activity and the presence of chlorophylls, with a focus on Cecropia metabolites. Last, we carried out QSAR studies using MIND-BEST and NL MIND-BEST web servers in order to understand the essential metabolites structural requirement for binding with receptors for FDA proteins.

  2. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces

    Science.gov (United States)

    Pershina, V.; Borschevsky, A.; Iliaš, M.; Türler, A.

    2014-08-01

    With the aim to interpret results of gas-phase chromatography experiments on volatility of group-4 tetrachlorides and oxychlorides including those of Rf, adsorption enthalpies of these species on neutral, and modified quartz surfaces were estimated on the basis of relativistic, two-component Density Functional Theory calculations of MCl4, MOCl2, MCl6-, and MOCl42 with the use of adsorption models. Several mechanisms of adsorption were considered. In the case of physisorption of MCl4, the trend in the adsorption energy in the group should be Zr > Hf > Rf, so that the volatility should change in the opposite direction. The latter trend complies with the one in the sublimation enthalpies, ΔHsub, of the Zr and Hf tetrachlorides, i.e., Zr Hf > Rf, as defined by the complex formation energies. In the case of adsorption of MCl4 on a chlorinated quartz surface, formation of the MCl62- surface complexes can occur, so that the trend in the adsorption strength should be Zr ≤ Hf < Rf. All the predicted sequences, showing a smooth change of the adsorption energy in the group, are in disagreement with the reversed trend Zr ≈ Rf < Hf, observed in the "one-atom-at-a-time" gas-phase chromatography experiments. Thus, currently no theoretical explanation can be found for the experimental observations.

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

    African Journals Online (AJOL)

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

  4. Theoretical Prediction on [5]Radialene Sandwich Complexes (CpM)2(C10H10) (Cp = η5-C5H5; M = Fe, Co, Ni): Geometry, Spin States, and Bonding.

    Science.gov (United States)

    Liu, Nan-Nan; Xue, Ying-Ying; Ding, Yi-Hong

    2017-02-09

    [5]Radialene, the missing link for synthesis of radialene family, has been finally obtained via the preparation and decomplexation of the [5]radialene-bis-Fe(CO) 3 complex. The stability of [5]radialene complex benefits from the coordination with Fe(CO) 3 by losing free 1,3-butadiene structures to avoid polymerization. In light of the similar coordination ability of half-sandwiches CpM(Cp = η 5 -C 5 H 5 ; M = Fe, Co, Ni), there is a great possibility that the sandwiched complexes of [5]radialene with CpM are available. Herein, we present the first theoretical prediction on the geometry, spin states and bonding of (CpM)(C 10 H 10 ) and (CpM) 2 (C 10 H 10 ). For M = Fe, Co, Ni, the ground states of (CpM)(C 10 H 10 ) and (CpM) 2 (C 10 H 10 ) are doublet and triplet, singlet and singlet, and doublet and triplet states, where each Fe, Co, and Ni adopts 17, 18, and 19 electron-configuration, respectively. In particular, (CpFe) 2 (C 10 H 10 ) and (CpNi) 2 (C 10 H 10 ) have considerable open-shell singlet features. Generally the trans isomers of (CpM) 2 (C 10 H 10 ) with two CpM fragments on the opposite sides of the [5]radialene plane are apparently more stable than the cis ones with CpM fragments on the same side. However, for the singlet and triplet isomers of (CpNi) 2 (C 10 H 10 ) (both cis and trans isomers), the energy differences are relatively small, indicating that these isomers all have the opportunity to exist. Besides, the easy Diels-Alder (DA) dimerization between the [3]dendralene-like fragments of (CpM)(C 10 H 10 ) suggests the great difficulty in isolating the (CpM)(C 10 H 10 ) monomer.

  5. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Pershina, V., E-mail: V.Pershina@gsi.de [GSI Helmholtzzentrum für Schwerionenforschung, Planckstr. 1, Darmstadt D-64291 (Germany); Borschevsky, A. [Helmholtz Institute Mainz, Mainz D-55128, Germany and Centre for Theoretical Chemistry and Physics, New Zealand Institute for Advanced Study, Massey University, Private Bag 102904, 0745 North Shore MSC, Auckland (New Zealand); Iliaš, M. [Department of Chemistry, Faculty of Natural Sciences, Matej Bel University, Tajovského 40, SK-974 00 Banská Bystrica (Slovakia); Türler, A. [Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland and Laboratory for Radiochemistry and Environmental Chemistry, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland)

    2014-08-14

    With the aim to interpret results of gas-phase chromatography experiments on volatility of group-4 tetrachlorides and oxychlorides including those of Rf, adsorption enthalpies of these species on neutral, and modified quartz surfaces were estimated on the basis of relativistic, two-component Density Functional Theory calculations of MCl{sub 4}, MOCl{sub 2}, MCl{sub 6}{sup −}, and MOCl{sub 4}{sup 2} with the use of adsorption models. Several mechanisms of adsorption were considered. In the case of physisorption of MCl{sub 4}, the trend in the adsorption energy in the group should be Zr > Hf > Rf, so that the volatility should change in the opposite direction. The latter trend complies with the one in the sublimation enthalpies, ΔH{sub sub}, of the Zr and Hf tetrachlorides, i.e., Zr < Hf. On the basis of a correlation between these quantities, ΔH{sub sub}(RfCl{sub 4}) was predicted as 104.2 kJ/mol. The energy of physisorption of MOCl{sub 2} on quartz should increase in the group, Zr < Hf < Rf, as defined by increasing dipole moments of these molecules along the series. In the case of adsorption of MCl{sub 4} on quartz by chemical forces, formation of the MOCl{sub 2} or MOCl{sub 4}{sup 2−} complexes on the surface can take place, so that the sequence in the adsorption energy should be Zr > Hf > Rf, as defined by the complex formation energies. In the case of adsorption of MCl{sub 4} on a chlorinated quartz surface, formation of the MCl{sub 6}{sup 2−} surface complexes can occur, so that the trend in the adsorption strength should be Zr ≤ Hf < Rf. All the predicted sequences, showing a smooth change of the adsorption energy in the group, are in disagreement with the reversed trend Zr ≈ Rf < Hf, observed in the “one-atom-at-a-time” gas-phase chromatography experiments. Thus, currently no theoretical explanation can be found for the experimental observations.

  6. Analyses of MHD instabilities

    International Nuclear Information System (INIS)

    Takeda, Tatsuoki

    1985-01-01

    In this article analyses of the MHD stabilities which govern the global behavior of a fusion plasma are described from the viewpoint of the numerical computation. First, we describe the high accuracy calculation of the MHD equilibrium and then the analysis of the linear MHD instability. The former is the basis of the stability analysis and the latter is closely related to the limiting beta value which is a very important theoretical issue of the tokamak research. To attain a stable tokamak plasma with good confinement property it is necessary to control or suppress disruptive instabilities. We, next, describe the nonlinear MHD instabilities which relate with the disruption phenomena. Lastly, we describe vectorization of the MHD codes. The above MHD codes for fusion plasma analyses are relatively simple though very time-consuming and parts of the codes which need a lot of CPU time concentrate on a small portion of the codes, moreover, the codes are usually used by the developers of the codes themselves, which make it comparatively easy to attain a high performance ratio on the vector processor. (author)

  7. 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

  8. TAD- THEORETICAL AERODYNAMICS PROGRAM

    Science.gov (United States)

    Barrowman, J.

    1994-01-01

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

  9. A course in theoretical physics

    CERN Document Server

    Shepherd, P J

    2013-01-01

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

  10. 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

  11. Topics in Theoretical Physics

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-09-30

    interactions between quark and gluon particles, we have no clear idea how to express the proton state in terms of these quarks and gluons. This is because the proton, though a bound state of quarks and gluons, is not a state of a fixed number of particles due to strong interactions. Yet, understanding the proton state is very important in order to theoretically predict the reaction rates observed at the LHC in Geneva, which is a proton-proton collider. Katz has formulated a new approach to QFT, which among other things offers a way to adequately approximate the quantum wave function of a bound state at strong coupling. The approximation scheme is related to the fact that any sensible QFT (including that of the strong interactions) is at short distances approximately self-similar upon rescaling of space and time. It turns out that keeping track of the response upon this rescaling is important in efficiently parameterizing the state. Katz and collaborators have used this observation to approximate the state of the proton in toy versions of the strong force. In the late 60s Sheldon Glashow, Abdus Salam and Steven Weinberg (1979 Nobel Prize awardees) proposed a theory unifying weak and electromagnetic interaction which assumed the existence of new particles, the W and Z bosons. The W and Z bosons were eventually detected in high-energy collision in a particle accelerator at CERN, and the recent discovery of the Higgs meson at the Large Hadron Collider (LHC), always at CERN, completed the picture. However, deep theoretical considerations indicate that the theory by Glashow, Weinberg and Salam, often referred to as "the standard model" cannot be the whole story: the existence of new particles and new interactions at yet higher energies is widely anticipated. The experiments at the LHC are looking for these, while theorists, like Brower, Rebbi and collaborators, are investigating models for these new interactions. Working in a large national collaboration with access to the most

  12. Topics in Theoretical Physics

    International Nuclear Information System (INIS)

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

    2016-01-01

    and gluon particles, we have no clear idea how to express the proton state in terms of these quarks and gluons. This is because the proton, though a bound state of quarks and gluons, is not a state of a fixed number of particles due to strong interactions. Yet, understanding the proton state is very important in order to theoretically predict the reaction rates observed at the LHC in Geneva, which is a proton-proton collider. Katz has formulated a new approach to QFT, which among other things offers a way to adequately approximate the quantum wave function of a bound state at strong coupling. The approximation scheme is related to the fact that any sensible QFT (including that of the strong interactions) is at short distances approximately self-similar upon rescaling of space and time. It turns out that keeping track of the response upon this rescaling is important in efficiently parameterizing the state. Katz and collaborators have used this observation to approximate the state of the proton in toy versions of the strong force. In the late 60s Sheldon Glashow, Abdus Salam and Steven Weinberg (1979 Nobel Prize awardees) proposed a theory unifying weak and electromagnetic interaction which assumed the existence of new particles, the W and Z bosons. The W and Z bosons were eventually detected in high-energy collision in a particle accelerator at CERN, and the recent discovery of the Higgs meson at the Large Hadron Collider (LHC), always at CERN, completed the picture. However, deep theoretical considerations indicate that the theory by Glashow, Weinberg and Salam, often referred to as 'the standard model' cannot be the whole story: the existence of new particles and new interactions at yet higher energies is widely anticipated. The experiments at the LHC are looking for these, while theorists, like Brower, Rebbi and collaborators, are investigating models for these new interactions. Working in a large national collaboration with access to the most powerful DOE computers

  13. Accurate predictions for the LHC made easy

    CERN Multimedia

    CERN. Geneva

    2014-01-01

    The data recorded by the LHC experiments is of a very high quality. To get the most out of the data, precise theory predictions, including uncertainty estimates, are needed to reduce as much as possible theoretical bias in the experimental analyses. Recently, significant progress has been made in computing Next-to-Leading Order (NLO) computations, including matching to the parton shower, that allow for these accurate, hadron-level predictions. I shall discuss one of these efforts, the MadGraph5_aMC@NLO program, that aims at the complete automation of predictions at the NLO accuracy within the SM as well as New Physics theories. I’ll illustrate some of the theoretical ideas behind this program, show some selected applications to LHC physics, as well as describe the future plans.

  14. Theoretical Computer Science

    DEFF Research Database (Denmark)

    2002-01-01

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

  15. Summary on Theoretical Aspects

    CERN Document Server

    Soffer, Jacques

    2010-01-01

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

  16. Theoretical physics division

    International Nuclear Information System (INIS)

    Anon.

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

  17. Theoretical physics division

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

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

  18. A Theoretical Approach

    African Journals Online (AJOL)

    NICO

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

  19. Theoretical basis of the new particles

    International Nuclear Information System (INIS)

    Rujula, A.

    1977-01-01

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

  20. Anatomy of the Higgs fits: A first guide to statistical treatments of the theoretical uncertainties

    Directory of Open Access Journals (Sweden)

    Sylvain Fichet

    2016-04-01

    Full Text Available The studies of the Higgs boson couplings based on the recent and upcoming LHC data open up a new window on physics beyond the Standard Model. In this paper, we propose a statistical guide to the consistent treatment of the theoretical uncertainties entering the Higgs rate fits. Both the Bayesian and frequentist approaches are systematically analysed in a unified formalism. We present analytical expressions for the marginal likelihoods, useful to implement simultaneously the experimental and theoretical uncertainties. We review the various origins of the theoretical errors (QCD, EFT, PDF, production mode contamination…. All these individual uncertainties are thoroughly combined with the help of moment-based considerations. The theoretical correlations among Higgs detection channels appear to affect the location and size of the best-fit regions in the space of Higgs couplings. We discuss the recurrent question of the shape of the prior distributions for the individual theoretical errors and find that a nearly Gaussian prior arises from the error combinations. We also develop the bias approach, which is an alternative to marginalisation providing more conservative results. The statistical framework to apply the bias principle is introduced and two realisations of the bias are proposed. Finally, depending on the statistical treatment, the Standard Model prediction for the Higgs signal strengths is found to lie within either the 68% or 95% confidence level region obtained from the latest analyses of the 7 and 8 TeV LHC datasets.

  1. Anatomy of the Higgs fits: A first guide to statistical treatments of the theoretical uncertainties

    Science.gov (United States)

    Fichet, Sylvain; Moreau, Grégory

    2016-04-01

    The studies of the Higgs boson couplings based on the recent and upcoming LHC data open up a new window on physics beyond the Standard Model. In this paper, we propose a statistical guide to the consistent treatment of the theoretical uncertainties entering the Higgs rate fits. Both the Bayesian and frequentist approaches are systematically analysed in a unified formalism. We present analytical expressions for the marginal likelihoods, useful to implement simultaneously the experimental and theoretical uncertainties. We review the various origins of the theoretical errors (QCD, EFT, PDF, production mode contamination…). All these individual uncertainties are thoroughly combined with the help of moment-based considerations. The theoretical correlations among Higgs detection channels appear to affect the location and size of the best-fit regions in the space of Higgs couplings. We discuss the recurrent question of the shape of the prior distributions for the individual theoretical errors and find that a nearly Gaussian prior arises from the error combinations. We also develop the bias approach, which is an alternative to marginalisation providing more conservative results. The statistical framework to apply the bias principle is introduced and two realisations of the bias are proposed. Finally, depending on the statistical treatment, the Standard Model prediction for the Higgs signal strengths is found to lie within either the 68% or 95% confidence level region obtained from the latest analyses of the 7 and 8 TeV LHC datasets.

  2. Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 2-(azidomethyl)-2-nitropropane-1,3-diyl dinitrate (AMDNNM), bis- aminofurazan diamino-octanitro-azobenzene (BAFDAONAB), and bis-nitrofurazan diamino-octanitro-azobenzene (BNFDAONAB)

    Science.gov (United States)

    2016-04-01

    estimation of the impact sensitivities has also been calculated. This report outlines the procedures used to generate this information and includes Cheetah ... Cheetah -predicted properties for AMDNNM, BAFDAONAB, and BNFDAONAB...AMDNNM as likely to be very sensitive. It would be of interest to compare the experimental with the predicted results for AMDNNM. We performed Cheetah

  3. Theoretical and experimental morphologies of 4-aminobenzophenone (ABP) crystals

    Science.gov (United States)

    Wang, Qingwu; Sheen, D. B.; Shepherd, E. E. A.; Sherwood, J. N.; Simpson, G. S.; Hammond, R. B.

    1997-11-01

    The lattice energy (Elatt), slice energies (Eslice) and attachment energies (Eatt) of the different habit faces of ABP crystals have been calculated using the computer program HABIT. On the basis of the attachment energies of different crystal faces, the morphology was defined as {1 0 0}, {0 0 1}, {1 1 0}, {11bar0} and {1 01bar}. To confirm this theoretical prediction, we have grown ABP films and ABP crystals from the vapour phase. In both cases, the morphologically most important face was defined as {1 0 0} face using X-ray diffraction techniques. The remaining faces of the vapour-grown crystals were defined using a projection method, while the crystallites in the films were morphologically analysed by means of atomic force microscopy (AFM). The experimental morphologies are basically in agreement with the computation. Deviations from the equilibrium morphology can be ascribed to departure from equilibrium conditions during growth. For completeness, the results are compared with those for crystals grown from solutions for which deviations in morphology from the theoretical predictions can be ascribed to interaction between the crystal faces and solvent molecules.

  4. Network class superposition analyses.

    Directory of Open Access Journals (Sweden)

    Carl A B Pearson

    Full Text Available Networks are often used to understand a whole system by modeling the interactions among its pieces. Examples include biomolecules in a cell interacting to provide some primary function, or species in an environment forming a stable community. However, these interactions are often unknown; instead, the pieces' dynamic states are known, and network structure must be inferred. Because observed function may be explained by many different networks (e.g., ≈ 10(30 for the yeast cell cycle process, considering dynamics beyond this primary function means picking a single network or suitable sample: measuring over all networks exhibiting the primary function is computationally infeasible. We circumvent that obstacle by calculating the network class ensemble. We represent the ensemble by a stochastic matrix T, which is a transition-by-transition superposition of the system dynamics for each member of the class. We present concrete results for T derived from boolean time series dynamics on networks obeying the Strong Inhibition rule, by applying T to several traditional questions about network dynamics. We show that the distribution of the number of point attractors can be accurately estimated with T. We show how to generate Derrida plots based on T. We show that T-based Shannon entropy outperforms other methods at selecting experiments to further narrow the network structure. We also outline an experimental test of predictions based on T. We motivate all of these results in terms of a popular molecular biology boolean network model for the yeast cell cycle, but the methods and analyses we introduce are general. We conclude with open questions for T, for example, application to other models, computational considerations when scaling up to larger systems, and other potential analyses.

  5. Detailed comparison of next-to-leading order predictions for jet photoproduction at HERA.

    Energy Technology Data Exchange (ETDEWEB)

    Harris, B. W.; Klassen, M.; Vossebeld, J.

    1999-06-02

    The precision of new HERA data on jet photoproduction opens up the possibility to discriminate between different models of the photon structure. This requires equally precise theoretical predictions from perturbative QCD calculations. In the past years, next-to-leading order calculations for the photoproduction of jets at HERA have become available. Using the kinematic cuts of recent ZEUS analyses, we compare the predictions of three calculations for different dijet and three-jet distributions. We find that in general all three calculations agree within the statistical accuracy of the Monte Carlo integration yielding reliable theoretical predictions. In certain restricted regions of phase space, the calculations differ by up to 5%.

  6. Towards A Theoretical Biology: Reminiscences

    Indian Academy of Sciences (India)

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

  7. INFANTILISM: THEORETICAL CONSTRUCT AND OPERATIONALIZATION

    Directory of Open Access Journals (Sweden)

    Yelena V. Sabelnikova

    2016-01-01

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

  8. A game-theoretic approach to donor kidney sharing.

    Science.gov (United States)

    O'Brien, B J

    1988-01-01

    Graft survival in renal transplantation is a function, amongst other things, of the degree of histocompatibility lymphocyte-A (HLA) tissue matching achieved between donor and recipient. Yet a donor procured at centre A might match a transplant candidate at centre B and vice versa. This raises the question of whether, and under what circumstances, surgeons will offer and exchange donor kidneys and gain from such trade in terms of graft survival. We analyse the problem in a game-theoretic framework where the choice of strategy 'to offer or not?' is evaluated in the context of the uncertainty of reciprocation by the other player(s) in the game. The equilibrium solution to a number of variations of the game is predicted to be non-cooperation resulting in collectively sub-optimal graft survival rates. Some policy options for improving cooperation are considered including exchange incentives and coercive measures.

  9. 'Impulsar': Experimental and Theoretical Investigations

    International Nuclear Information System (INIS)

    Apollonov, V. V.

    2008-01-01

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

  10. Theorising and Analysing Academic Labour

    Directory of Open Access Journals (Sweden)

    Thomas Allmer

    2018-01-01

    Full Text Available The aim of this article is to contextualise universities historically within capitalism and to analyse academic labour and the deployment of digital media theoretically and critically. It argues that the post-war expansion of the university can be considered as medium and outcome of informational capitalism and as a dialectical development of social achievement and advanced commodification. The article strives to identify the class position of academic workers, introduces the distinction between academic work and labour, discusses the connection between academic, information and cultural work, and suggests a broad definition of university labour. It presents a theoretical model of working conditions that helps to systematically analyse the academic labour process and to provide an overview of working conditions at universities. The paper furthermore argues for the need to consider the development of education technologies as a dialectics of continuity and discontinuity, discusses the changing nature of the forces and relations of production, and the impact on the working conditions of academics in the digital university. Based on Erik Olin Wright’s inclusive approach of social transformation, the article concludes with the need to bring together anarchist, social democratic and revolutionary strategies for establishing a socialist university in a commons-based information society.

  11. Compendium of theoretical physics

    CERN Document Server

    Wachter, Armin

    2006-01-01

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

  12. Concluding theoretical remarks

    International Nuclear Information System (INIS)

    Ellis, J.

    1986-01-01

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

  13. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

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

  14. MARKETING MIX THEORETICAL ASPECTS

    OpenAIRE

    Margarita Išoraitė

    2016-01-01

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

  15. 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....

  16. Theoretical high energy physics

    International Nuclear Information System (INIS)

    Lee, T.D.

    1990-05-01

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

  17. 3. Theoretical Physics Division

    International Nuclear Information System (INIS)

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

  18. Theoretical developments in SUSY

    International Nuclear Information System (INIS)

    Shifman, M.

    2009-01-01

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

  19. Theoretical developments in SUSY

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-01-15

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

  20. Theoretical Developments in SUSY

    Science.gov (United States)

    Shifman, M.

    2009-01-01

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

  1. Theoretical isochrones with decreasing gravitational constant

    International Nuclear Information System (INIS)

    Vandenberg, D.A.

    1976-01-01

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

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

    Science.gov (United States)

    Lansey, Eli

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

  3. Prediction Markets

    DEFF Research Database (Denmark)

    Horn, Christian Franz; Ivens, Bjørn Sven; Ohneberg, Michael

    2014-01-01

    In recent years, Prediction Markets gained growing interest as a forecasting tool among researchers as well as practitioners, which resulted in an increasing number of publications. In order to track the latest development of research, comprising the extent and focus of research, this article...... provides a comprehensive review and classification of the literature related to the topic of Prediction Markets. Overall, 316 relevant articles, published in the timeframe from 2007 through 2013, were identified and assigned to a herein presented classification scheme, differentiating between descriptive...... works, articles of theoretical nature, application-oriented studies and articles dealing with the topic of law and policy. The analysis of the research results reveals that more than half of the literature pool deals with the application and actual function tests of Prediction Markets. The results...

  4. Theoretical solid state physics

    CERN Document Server

    Haug, Albert

    2013-01-01

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

  5. Theoretical astrophysics an introduction

    CERN Document Server

    Bartelmann, Matthias

    2013-01-01

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

  6. Review of theoretical results

    International Nuclear Information System (INIS)

    Barrett, R.C.

    1979-01-01

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

  7. Information theoretic preattentive saliency

    DEFF Research Database (Denmark)

    Loog, Marco

    2011-01-01

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

  8. Theoretical high energy physics

    International Nuclear Information System (INIS)

    Lee, T.D.

    1991-01-01

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

  9. Theoretical Fluid Dynamics

    CERN Document Server

    Shivamoggi, Bhimsen K

    1998-01-01

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

  10. Theoretical Optics An Introduction

    CERN Document Server

    Römer, Hartmann

    2004-01-01

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

  11. Theoretical Guidelines for a Psychology of Rural Development

    NARCIS (Netherlands)

    Landini, F.; Long, N.; Leeuwis, C.; Murtagh, S.

    2014-01-01

    Many processes related to rural development have a strong psychosocial component. Yet, there exists no specific psychosocial theoretical framework for addressing them. In this paper, then, we present a set of theoretical guidelines for analysing rural development processes and interventions from the

  12. Probabilistic fuel rod analyses using the TRANSURANUS code

    Energy Technology Data Exchange (ETDEWEB)

    Lassmann, K; O` Carroll, C; Laar, J Van De [CEC Joint Research Centre, Karlsruhe (Germany)

    1997-08-01

    After more than 25 years of fuel rod modelling research, the basic concepts are well established and the limitations of the specific approaches are known. However, the widely used mechanistic approach leads in many cases to discrepancies between theoretical predictions and experimental evidence indicating that models are not exact and that some of the physical processes encountered are of stochastic nature. To better understand uncertainties and their consequences, the mechanistic approach must therefore be augmented by statistical analyses. In the present paper the basic probabilistic methods are briefly discussed. Two such probabilistic approaches are included in the fuel rod performance code TRANSURANUS: the Monte Carlo method and the Numerical Noise Analysis. These two techniques are compared and their capabilities are demonstrated. (author). 12 refs, 4 figs, 2 tabs.

  13. Dark matter: Theoretical perspectives

    International Nuclear Information System (INIS)

    Turner, M.S.

    1993-01-01

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

  14. Dark matter: Theoretical perspectives

    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

  15. Theoretical physics. Quantum mechanics

    International Nuclear Information System (INIS)

    Rebhan, Eckhard

    2008-01-01

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

  16. 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.

  17. 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.

  18. Thermodynamics of nanoadsorption from solution: Theoretical and experimental research

    International Nuclear Information System (INIS)

    Wen, Yan-Zhen; Xue, Yong-Qiang; Cui, Zi-Xiang; Wang, Yan

    2015-01-01

    Highlights: • The thermodynamic theory of nanoadsorption was proposed. • The thermodynamic relations of nanoadsorption were derived. • The results of the experiments are accord with the theory. - Abstract: In this study, the effect of nanoparticle size on adsorption thermodynamics was investigated. The results of theoretical and experimental studies show that particle size significantly affects the equilibrium constant and thermodynamic properties of nanoadsorption. Relationships between the equilibrium constant, thermodynamic properties and particle size were derived using the thermodynamic theory of nanoadsorption. The equilibrium constant and thermodynamic properties were obtained by investigating the adsorption of Cu 2+ onto different sizes of nano-ZnO and the adsorption of Ag + onto different sizes of nano-TiO 2 . Good agreement was achieved between results obtained by experiments and predicted by theoretical analyses. The equilibrium constant and the molar Gibbs free energy of nanoadsorption were found to increase with smaller nanoparticle size. However, the effects of particle size on the molar enthalpy and the molar entropy are uncertain. In addition, the molar Gibbs free energy, the molar enthalpy, the molar entropy and the logarithm of the equilibrium constant are linearly related to the reciprocal of the diameter of the nanoparticle. The thermodynamic properties revealed in this study may provide important guidelines for research and application in the field of nanoadsorption

  19. Calling for a Theoretical Turn in Researches on China's Community Elections: from Explanations of the Functions to Analyses of the Process%中国城市社区选举的想象:从功能阐释到过程分析

    Institute of Scientific and Technical Information of China (English)

    刘春荣

    2005-01-01

    On the basis of direct election of resident committee in Shanghai since late 1990s, this paper raises a certain theoretical perspectives on the urban community elections in China. A review of empirical studies on resident committee election reveals that much scholastic attentions have been focused on the socio-political function of community election, leaving the pattern of resident participation and electoral mobilization unexplained. The author therefore calls for a theoretical turn to map the behavioral process of Chinese community election.Some preliminary theorizing strategies are proposed by linking the behavioral process with the more general theories of participation and social mobilization. Analytical unit and research method for this object are also discussed.

  20. Cost-Benefit Analyses of Transportation Investments

    DEFF Research Database (Denmark)

    Næss, Petter

    2006-01-01

    This paper discusses the practice of cost-benefit analyses of transportation infrastructure investment projects from the meta-theoretical perspective of critical realism. Such analyses are based on a number of untenable ontological assumptions about social value, human nature and the natural......-to-pay investigations. Accepting the ontological and epistemological assumptions of cost-benefit analysis involves an implicit acceptance of the ethical and political values favoured by these assumptions. Cost-benefit analyses of transportation investment projects tend to neglect long-term environmental consequences...

  1. Cry1A(b)16 toxin from Bacillus thuringiensis: Theoretical refinement of three-dimensional structure and prediction of peptides as molecular markers for detection of genetically modified organisms.

    Science.gov (United States)

    Plácido, Alexandra; Coelho, Andreia; Abreu Nascimento, Lucas; Gomes Vasconcelos, Andreanne; Fátima Barroso, Maria; Ramos-Jesus, Joilson; Costa, Vladimir; das Chagas Alves Lima, Francisco; Delerue-Matos, Cristina; Martins Ramos, Ricardo; Marani, Mariela M; Roberto de Souza de Almeida Leite, José

    2017-07-01

    Transgenic maize produced by the insertion of the Cry transgene into its genome became the second most cultivated crop worldwide. Cry gene from Bacillus thuringiensis kurstaki expresses protein derivatives of crystalline endotoxins which confer insect resistance onto the maize crop. Mandatory labeling of processed food containing or made by genetically modified organisms is in force in many countries, so, it is very urgent to develop fast and practical methods for GMO identification, for example, biosensors. In the absence of an available empirical structure of Cry1A(b)16 protein, a theoretical model was effectively generated, in this work, by homology modeling and molecular dynamics simulations based on two available homologous protein structures. Molecular dynamics simulations were carried out to refine the selected model, and an analysis of its global structure was performed. The refined models of Cry1A(b)16 showed a standard fold and structural characteristics similar to those seen in Bacillus thuringiensis Cry1A(a) insecticidal toxin and Bacillus thuringiensis serovar kurstaki Cry1A(c) toxin. After in silico analysis of Cry1A(b)16, two immunoreactive candidate peptides were selected and specific polyclonal antibodies were produced resulting in antibody-peptide interaction. Biosensing devices are expected to be developed for detection of the Cry1A(b) protein as a marker of transgenic maize in food. Proteins 2017; 85:1248-1257. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  2. A statistical rain attenuation prediction model with application to the advanced communication technology satellite project. Part 2: Theoretical development of a dynamic model and application to rain fade durations and tolerable control delays for fade countermeasures

    Science.gov (United States)

    Manning, Robert M.

    1987-01-01

    A dynamic rain attenuation prediction model is developed for use in obtaining the temporal characteristics, on time scales of minutes or hours, of satellite communication link availability. Analagous to the associated static rain attenuation model, which yields yearly attenuation predictions, this dynamic model is applicable at any location in the world that is characterized by the static rain attenuation statistics peculiar to the geometry of the satellite link and the rain statistics of the location. Such statistics are calculated by employing the formalism of Part I of this report. In fact, the dynamic model presented here is an extension of the static model and reduces to the static model in the appropriate limit. By assuming that rain attenuation is dynamically described by a first-order stochastic differential equation in time and that this random attenuation process is a Markov process, an expression for the associated transition probability is obtained by solving the related forward Kolmogorov equation. This transition probability is then used to obtain such temporal rain attenuation statistics as attenuation durations and allowable attenuation margins versus control system delay.

  3. Theoretical analysis of polarized structure functions

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  4. Theoretical Analysis of Polarized Structure Functions

    CERN Document Server

    Altarelli, Guido; Forte, Stefano; Ridolfi, G

    1998-01-01

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

  5. Theoretical physics 3 electrodynamics

    CERN Document Server

    Nolting, Wolfgang

    2016-01-01

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

  6. Theoretical physics 5 thermodynamics

    CERN Document Server

    Nolting, Wolfgang

    2017-01-01

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

  7. Theoretical Molecular Biophysics

    CERN Document Server

    Scherer, Philipp

    2010-01-01

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

  8. The hemispherical deflector analyser revisited

    Energy Technology Data Exchange (ETDEWEB)

    Benis, E.P. [Institute of Electronic Structure and Laser, P.O. Box 1385, 71110 Heraklion, Crete (Greece)], E-mail: benis@iesl.forth.gr; Zouros, T.J.M. [Institute of Electronic Structure and Laser, P.O. Box 1385, 71110 Heraklion, Crete (Greece); Department of Physics, University of Crete, P.O. Box 2208, 71003 Heraklion, Crete (Greece)

    2008-04-15

    Using the basic spectrometer trajectory equation for motion in an ideal 1/r potential derived in Eq. (101) of part I [T.J.M. Zouros, E.P. Benis, J. Electron Spectrosc. Relat. Phenom. 125 (2002) 221], the operational characteristics of a hemispherical deflector analyser (HDA) such as dispersion, energy resolution, energy calibration, input lens magnification and energy acceptance window are investigated from first principles. These characteristics are studied as a function of the entry point R{sub 0} and the nominal value of the potential V(R{sub 0}) at entry. Electron-optics simulations and actual laboratory measurements are compared to our theoretical results for an ideal biased paracentric HDA using a four-element zoom lens and a two-dimensional position sensitive detector (2D-PSD). These results should be of particular interest to users of modern HDAs utilizing a PSD.

  9. The hemispherical deflector analyser revisited

    International Nuclear Information System (INIS)

    Benis, E.P.; Zouros, T.J.M.

    2008-01-01

    Using the basic spectrometer trajectory equation for motion in an ideal 1/r potential derived in Eq. (101) of part I [T.J.M. Zouros, E.P. Benis, J. Electron Spectrosc. Relat. Phenom. 125 (2002) 221], the operational characteristics of a hemispherical deflector analyser (HDA) such as dispersion, energy resolution, energy calibration, input lens magnification and energy acceptance window are investigated from first principles. These characteristics are studied as a function of the entry point R 0 and the nominal value of the potential V(R 0 ) at entry. Electron-optics simulations and actual laboratory measurements are compared to our theoretical results for an ideal biased paracentric HDA using a four-element zoom lens and a two-dimensional position sensitive detector (2D-PSD). These results should be of particular interest to users of modern HDAs utilizing a PSD

  10. Analysing performance through value creation

    Directory of Open Access Journals (Sweden)

    Adrian TRIFAN

    2015-12-01

    Full Text Available This paper draws a parallel between measuring financial performance in 2 variants: the first one using data offered by accounting, which lays emphasis on maximizing profit, and the second one which aims to create value. The traditional approach to performance is based on some indicators from accounting data: ROI, ROE, EPS. The traditional management, based on analysing the data from accounting, has shown its limits, and a new approach is needed, based on creating value. The evaluation of value based performance tries to avoid the errors due to accounting data, by using other specific indicators: EVA, MVA, TSR, CVA. The main objective is shifted from maximizing the income to maximizing the value created for shareholders. The theoretical part is accompanied by a practical analysis regarding the creation of value and an analysis of the main indicators which evaluate this concept.

  11. Theoretical nuclear physics

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

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

  12. First time-dependent study of H{sub 2} and H{sub 3}{sup +} ortho-para chemistry in the diffuse interstellar medium: Observations meet theoretical predictions

    Energy Technology Data Exchange (ETDEWEB)

    Albertsson, T.; Semenov, D.; Henning, Th. [Max-Planck-Institut für Astronomie, Königstuhl 17, D-69117 Heidelberg (Germany); Indriolo, N. [Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 (United States); Kreckel, H. [Max-Planck-Institut für Kernphysik, D-69117 Heidelberg (Germany); Crabtree, K. N. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

    2014-05-20

    The chemistry in the diffuse interstellar medium (ISM) initiates the gradual increase of molecular complexity during the life cycle of matter. A key molecule that enables build-up of new molecular bonds and new molecules via proton donation is H{sub 3}{sup +}. Its evolution is tightly related to molecular hydrogen and thought to be well understood. However, recent observations of ortho and para lines of H{sub 2} and H{sub 3}{sup +} in the diffuse ISM showed a puzzling discrepancy in nuclear spin excitation temperatures and populations between these two key species. H{sub 3}{sup +}, unlike H{sub 2}, seems to be out of thermal equilibrium, contrary to the predictions of modern astrochemical models. We conduct the first time-dependent modeling of the para-fractions of H{sub 2} and H{sub 3}{sup +} in the diffuse ISM and compare our results to a set of line-of-sight observations, including new measurements presented in this study. We isolate a set of key reactions for H{sub 3}{sup +} and find that the destruction of the lowest rotational states of H{sub 3}{sup +} by dissociative recombination largely controls its ortho/para ratio. A plausible agreement with observations cannot be achieved unless a ratio larger than 1:5 for the destruction of (1, 1)- and (1, 0)-states of H{sub 3}{sup +} is assumed. Additionally, an increased cosmic-ray ionization rate to 10{sup –15} s{sup –1} further improves the fit whereas variations of other individual physical parameters, such as density and chemical age, have only a minor effect on the predicted ortho/para ratios. Thus, our study calls for new laboratory measurements of the dissociative recombination rate and branching ratio of the key ion H{sub 3}{sup +} under interstellar conditions.

  13. Nuclear power plant analysers: their approach to analysis and design

    International Nuclear Information System (INIS)

    Ancarani, A.; Zanobetti, D.

    1985-01-01

    ''Analysers'' as used for nuclear power plant simulators are powerful tools and their purpose can be variously assigned: it may vary from the aid in the design of power plants to the assistance to operators in emergency situations. A fundamental problem arising from the analysers' concept and use is the definition of the simulation capability. This can be assessed either by comparison with previous operational data statistically significant and suitably elaborated; or by comparison with theoretical (computed) values obtained from engineering codes. In both these, to take advantage of all the possibilities offered by the ''analysers'', it is mandatory that suitable terms of reference be clearly stated and agreed upon. Particular care is devoted to accuracy in the prediction of physical values both for the steady state and the transient situations. For instance, it can be seen that such evaluations can be met by specifying the maximum error on value of parameters (ordinates), save for very fast transients; the maximum error on time (abscissae) for occurrence of extreme values; the maximum error on values of extremes (ordinates); the maximum error on derivatives (slopes) for rapidly variable transients, save near extreme values. The paper also deals with a brief account of the present projects and proposals in different countries as known from various sources, and mentions a possible co-ordination at international level. (author)

  14. Intellect: a theoretical framework for personality traits related to intellectual achievements.

    Science.gov (United States)

    Mussel, Patrick

    2013-05-01

    The present article develops a theoretical framework for the structure of personality traits related to intellectual achievements. We postulate a 2-dimensional model, differentiating between 2 processes (Seek and Conquer) and 3 operations (Think, Learn, and Create). The framework was operationalized by a newly developed measure, which was validated based on 2 samples. Subsequently, in 3 studies (overall N = 1,478), the 2-dimensional structure of the Intellect framework was generally supported. Additionally, subdimensions of the Intellect framework specifically predicted conceptually related criteria, including scholastic performance, vocational interest, and leisure activities. Furthermore, results from multidimensional scaling and higher order confirmatory factor analyses show that the framework allows for the incorporation of several constructs that have been proposed on different theoretical backgrounds, such as need for cognition, typical intellectual engagement, curiosity, intrinsic motivation, goal orientation, and openness to ideas. It is concluded that based on the Intellect framework, these constructs, which have been researched separately in the literature, can be meaningfully integrated.

  15. Severe accident recriticality analyses (SARA)

    DEFF Research Database (Denmark)

    Frid, W.; Højerup, C.F.; Lindholm, I.

    2001-01-01

    with all three codes. The core initial and boundary conditions prior to recriticality have been studied with the severe accident codes SCDAP/RELAP5, MELCOR and MAAP4. The results of the analyses show that all three codes predict recriticality-both super-prompt power bursts and quasi steady-state power......Recriticality in a BWR during reflooding of an overheated partly degraded core, i.e. with relocated control rods, has been studied for a total loss of electric power accident scenario. In order to assess the impact of recriticality on reactor safety, including accident management strategies......, which results in large energy deposition in the fuel during power burst in some accident scenarios. The highest value, 418 cal g(-1), was obtained with SIMULATE-3K for an Oskarshamn 3 case with reflooding rate of 2000 kg s(-1). In most cases, however, the predicted energy deposition was smaller, below...

  16. Uncertainty and Sensitivity Analyses Plan

    International Nuclear Information System (INIS)

    Simpson, J.C.; Ramsdell, J.V. Jr.

    1993-04-01

    Hanford Environmental Dose Reconstruction (HEDR) Project staff are developing mathematical models to be used to estimate the radiation dose that individuals may have received as a result of emissions since 1944 from the US Department of Energy's (DOE) Hanford Site near Richland, Washington. An uncertainty and sensitivity analyses plan is essential to understand and interpret the predictions from these mathematical models. This is especially true in the case of the HEDR models where the values of many parameters are unknown. This plan gives a thorough documentation of the uncertainty and hierarchical sensitivity analysis methods recommended for use on all HEDR mathematical models. The documentation includes both technical definitions and examples. In addition, an extensive demonstration of the uncertainty and sensitivity analysis process is provided using actual results from the Hanford Environmental Dose Reconstruction Integrated Codes (HEDRIC). This demonstration shows how the approaches used in the recommended plan can be adapted for all dose predictions in the HEDR Project

  17. THEORETICAL ASPECTS OF SCHOOL TEXTBOOK

    Directory of Open Access Journals (Sweden)

    Sveriene, Audrone

    2006-12-01

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

  18. Developing a theoretical model to investigate thermal performance of a thin membrane heat-pipe solar collector

    International Nuclear Information System (INIS)

    Riffat, S.B.; Zhao, X.; Doherty, P.S.

    2005-01-01

    A thin membrane heat-pipe solar collector was designed and constructed to allow heat from solar radiation to be collected at a relatively high efficiency while keeping the capital cost low. A theoretical model incorporating a set of heat balance equations was developed to analyse heat transfer processes occurring in separate regions of the collector, i.e., the top cover, absorber and condenser/manifold areas, and examine their relationship. The thermal performance of the collector was investigated using the theoretical model. The modelling predictions were validated using the experimental data from a referred source. The test efficiency was found to be in the range 40-70%, which is a bitter lower than the values predicted by modelling. The factors influencing these results were investigated

  19. Molecular Simulations and Theoretical Predictions for Adsorption and Diffusion of CH{sub 4}/H{sub 2} and CO{sub 2}/CH{sub 4} Mixtures in ZIFs

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jinchen; Keskin, Seda; Sholl, David S; Johnson, J. Karl

    2011-05-01

    Adsorption and diffusion of CO{sub 2}/CH{sub 4} and CH{sub 4}/H{sub 2} mixtures were computed in zeolite imidazolate frameworks (ZIFs), ZIF-68 and ZIF-70, using atomically detailed simulations. Adsorption selectivity, diffusion selectivity, and membrane selectivity of ZIFs were calculated based on the results of atomistic simulations. Mixture adsorption isotherms predicted by the ideal adsorbed solution theory agree well with the results of molecular simulations for both ZIFs. Mixture diffusivity calculations indicate that diffusion of CH{sub 4} is increased with increasing concentration of H{sub 2} in the CH{sub 4}/H{sub 2} mixture, while the diffusivity of H{sub 2} decreases with increasing CH{sub 4} concentration. In contrast, the diffusivity of CH{sub 4} is essentially independent of the concentration of CO{sub 2} in the CO{sub 2}/CH{sub 4} mixture, while CO{sub 2} diffusivity decreases with increased CH{sub 4} loading, even though the diffusivity of CH{sub 4} is substantially larger than that of CO{sub 2}. This unusual behavior can be explained in terms of differences in adsorption site preferences due to charge–quadrupole interactions.

  20. Theoretical Approaches to Coping

    Directory of Open Access Journals (Sweden)

    Sofia Zyga

    2013-01-01

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

  1. 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.

  2. Dynamics in Higher Education Politics: A Theoretical Model

    Science.gov (United States)

    Kauko, Jaakko

    2013-01-01

    This article presents a model for analysing dynamics in higher education politics (DHEP). Theoretically the model draws on the conceptual history of political contingency, agenda-setting theories and previous research on higher education dynamics. According to the model, socio-historical complexity can best be analysed along two dimensions: the…

  3. Theoretical investigation of aspects of radioactive contamination

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  4. NOAA's National Snow Analyses

    Science.gov (United States)

    Carroll, T. R.; Cline, D. W.; Olheiser, C. M.; Rost, A. A.; Nilsson, A. O.; Fall, G. M.; Li, L.; Bovitz, C. T.

    2005-12-01

    NOAA's National Operational Hydrologic Remote Sensing Center (NOHRSC) routinely ingests all of the electronically available, real-time, ground-based, snow data; airborne snow water equivalent data; satellite areal extent of snow cover information; and numerical weather prediction (NWP) model forcings for the coterminous U.S. The NWP model forcings are physically downscaled from their native 13 km2 spatial resolution to a 1 km2 resolution for the CONUS. The downscaled NWP forcings drive an energy-and-mass-balance snow accumulation and ablation model at a 1 km2 spatial resolution and at a 1 hour temporal resolution for the country. The ground-based, airborne, and satellite snow observations are assimilated into the snow model's simulated state variables using a Newtonian nudging technique. The principle advantages of the assimilation technique are: (1) approximate balance is maintained in the snow model, (2) physical processes are easily accommodated in the model, and (3) asynoptic data are incorporated at the appropriate times. The snow model is reinitialized with the assimilated snow observations to generate a variety of snow products that combine to form NOAA's NOHRSC National Snow Analyses (NSA). The NOHRSC NSA incorporate all of the available information necessary and available to produce a "best estimate" of real-time snow cover conditions at 1 km2 spatial resolution and 1 hour temporal resolution for the country. The NOHRSC NSA consist of a variety of daily, operational, products that characterize real-time snowpack conditions including: snow water equivalent, snow depth, surface and internal snowpack temperatures, surface and blowing snow sublimation, and snowmelt for the CONUS. The products are generated and distributed in a variety of formats including: interactive maps, time-series, alphanumeric products (e.g., mean areal snow water equivalent on a hydrologic basin-by-basin basis), text and map discussions, map animations, and quantitative gridded products

  5. Precise prediction for MW in the MSSM

    International Nuclear Information System (INIS)

    Heinemeyer, Sven; Hollik, Wolfgang; Stoeckinger, Dominik; Weber, Arne M.; Weiglein, Georg

    2006-01-01

    We present the currently most accurate evaluation of the W boson mass, M W , in the Minimal Supersymmetric Standard Model (MSSM). The full complex phase dependence at the one-loop level, all available MSSM two-loop corrections as well as the full Standard Model result have been included. We analyse the impact of the different sectors of the MSSM at the one-loop level with a particular emphasis on the effect of the complex phases. We discuss the prediction for M W based on all known higher-order contributions in representative MSSM scenarios. Furthermore we obtain an estimate of the remaining theoretical uncertainty from unknown higher-order corrections

  6. Theoretical Division progress report

    International Nuclear Information System (INIS)

    Cooper, N.G.

    1979-04-01

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

  7. 基于网络拓扑结构视角的社交媒体用户转发预测算法%Individual retweet behavior prediction algorithm in social media based on network topology analyses

    Institute of Scientific and Technical Information of China (English)

    方冰; 缪文渊

    2016-01-01

    To investigate who will repost tweets,based on the literatures about whether a tweet would be reposted or not,this paper proposed a logical regression algorithm through analyzing social network topological structure,user behavior and social in-fluences between users,and it tested by real data set.The experiment results demonstrate that compared with alternative algo-rithm which does not consider social network topological structure,the novel proposed prediction algorithm performes much bet-ter.This work lays an important foundation for information propagation path prediction.%为预测某条微博的具体转发者,在微博是否会被转发的研究基础上,提出了基于社交网络拓扑结构、用户行为及用户间关联三个层面的逻辑回归分类算法,并针对该算法进行真实数据集检测。实验结果表明,该预测算法与未考虑网络拓扑结构的算法相比性能显著提升,为实现社交媒体信息传播轨迹精准预测打下了重要基础。

  8. Theoretical estimation of Z´ boson mass

    International Nuclear Information System (INIS)

    Maji, Priya; Banerjee, Debika; Sahoo, Sukadev

    2016-01-01

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

  9. SOLAR-WIND ION-DRIVEN X-RAY EMISSION FROM COMETARY AND PLANETARY ATMOSPHERES: MEASUREMENTS AND THEORETICAL PREDICTIONS OF CHARGE-EXCHANGE CROSS-SECTIONS AND EMISSION SPECTRA FOR O{sup 6+} + H{sub 2}O, CO, CO{sub 2}, CH{sub 4}, N{sub 2}, NO, N{sub 2}O, AND Ar

    Energy Technology Data Exchange (ETDEWEB)

    Machacek, J. R. [Atomic and Molecular Physics Laboratory, Research School of Physics and Engineering, The Australian National University, Canberra 2601 (Australia); Mahapatra, D. P. [Department of Physics, Utkal University, Bhubaneswar 751004 (India); Schultz, D. R. [Department of Physics, Univ. of North Texas, Denton, TX 76203 (United States); Ralchenko, Yu. [Atomic Spectroscopy Group, National Institute of Standards and Technology, Gaithersburg, MD 20899-8422 (United States); Moradmand, A.; El Ghazaly, M. O. A.; Chutjian, A. [Astrophysics and Space Sciences Section, Jet Propulsion Laboratory/Caltech, Pasadena, CA 91109 (United States)

    2015-08-10

    Relevant to modeling and understanding X-ray emission from cometary and planetary atmospheres, total cross-sections for 1.17 and 2.33 keV/u O{sup 6+} colliding with H{sub 2}O, CO, CO{sub 2}, CH{sub 4}, N{sub 2}, NO, N{sub 2}O, and Ar have been measured for the processes of single, double, and triple charge exchanges. Using these measurements as benchmarks, synthetic emission spectra spanning the X-ray, UV, and visible range have been calculated based on theoretical treatment of the transfer of between one and six electrons from the target neutrals to the projectile ion, followed by radiative and non-radiative decay of the highly excited states produced in these collisions. The results help add to the base of knowledge required to simulate ion-neutral processes in astrophysical environments; refine the present understanding of these fundamental atomic processes; and guide future observations, laboratory measurements, and theoretical predictions.

  10. Safety climate and injuries: an examination of theoretical and empirical relationships.

    Science.gov (United States)

    Beus, Jeremy M; Payne, Stephanie C; Bergman, Mindy E; Arthur, Winfred

    2010-07-01

    Our purpose in this study was to meta-analytically address several theoretical and empirical issues regarding the relationships between safety climate and injuries. First, we distinguished between extant safety climate-->injury and injury-->safety climate relationships for both organizational and psychological safety climates. Second, we examined several potential moderators of these relationships. Meta-analyses revealed that injuries were more predictive of organizational safety climate than safety climate was predictive of injuries. Additionally, the injury-->safety climate relationship was stronger for organizational climate than for psychological climate. Moderator analyses revealed that the degree of content contamination in safety climate measures inflated effects, whereas measurement deficiency attenuated effects. Additionally, moderator analyses showed that as the time period over which injuries were assessed lengthened, the safety climate-->injury relationship was attenuated. Supplemental meta-analyses of specific safety climate dimensions also revealed that perceived management commitment to safety is the most robust predictor of occupational injuries. Contrary to expectations, the operationalization of injuries did not meaningfully moderate safety climate-injury relationships. Implications and recommendations for future research and practice are discussed.

  11. Pathological complete response after neoadjuvant chemotherapy is an independent predictive factor irrespective of simplified breast cancer intrinsic subtypes: a landmark and two-step approach analyses from the EORTC 10994/BIG 1-00 phase III trial.

    Science.gov (United States)

    Bonnefoi, H; Litière, S; Piccart, M; MacGrogan, G; Fumoleau, P; Brain, E; Petit, T; Rouanet, P; Jassem, J; Moldovan, C; Bodmer, A; Zaman, K; Cufer, T; Campone, M; Luporsi, E; Malmström, P; Werutsky, G; Bogaerts, J; Bergh, J; Cameron, D A

    2014-06-01

    Pathological complete response (pCR) following chemotherapy is strongly associated with both breast cancer subtype and long-term survival. Within a phase III neoadjuvant chemotherapy trial, we sought to determine whether the prognostic implications of pCR, TP53 status and treatment arm (taxane versus non-taxane) differed between intrinsic subtypes. Patients were randomized to receive either six cycles of anthracycline-based chemotherapy or three cycles of docetaxel then three cycles of eprirubicin/docetaxel (T-ET). pCR was defined as no evidence of residual invasive cancer (or very few scattered tumour cells) in primary tumour and lymph nodes. We used a simplified intrinsic subtypes classification, as suggested by the 2011 St Gallen consensus. Interactions between pCR, TP53 status, treatment arm and intrinsic subtype on event-free survival (EFS), distant metastasis-free survival (DMFS) and overall survival (OS) were studied using a landmark and a two-step approach multivariate analyses. Sufficient data for pCR analyses were available in 1212 (65%) of 1856 patients randomized. pCR occurred in 222 of 1212 (18%) patients: 37 of 496 (7.5%) luminal A, 22 of 147 (15%) luminal B/HER2 negative, 51 of 230 (22%) luminal B/HER2 positive, 43 of 118 (36%) HER2 positive/non-luminal, 69 of 221(31%) triple negative (TN). The prognostic effect of pCR on EFS did not differ between subtypes and was an independent predictor for better EFS [hazard ratio (HR) = 0.40, P analysis. EORTC 10994/BIG 1-00 Trial registration number NCT00017095. © The Author 2014. Published by Oxford University Press on behalf of the European Society for Medical Oncology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

  12. Why looking at the whole hippocampus is not enough – a critical role for anteroposterior axis, subfield and activation analyses to enhance predictive value of hippocampal changes for Alzheimer’s disease diagnosis.

    Directory of Open Access Journals (Sweden)

    Aleksandra eMaruszak

    2014-03-01

    Full Text Available The hippocampus is one of the earliest affected brain regions in Alzheimer´s disease (AD and its dysfunction is believed to underlie the core feature of the disease- memory impairment. Given that hippocampal volume is one of the best AD biomarkers, our review focuses on distinct subfields within the hippocampus, pinpointing regions that might enhance the predictive value of current diagnostic methods. Our review presents how changes in hippocampal volume, shape, symmetry and activation are reflected by cognitive impairment and how they are linked with neurogenesis alterations. Moreover, we revisit the functional differentiation along the anteroposterior longitudinal axis of the hippocampus and discuss its relevance for AD diagnosis. Finally, we indicate that apart from hippocampal subfield volumetry, the characteristic pattern of hippocampal hyperactivation associated with seizures and neurogenesis changes is another promising candidate for an early AD biomarker that could become also a target for early interventions.

  13. Laser Beam Focus Analyser

    DEFF Research Database (Denmark)

    Nielsen, Peter Carøe; Hansen, Hans Nørgaard; Olsen, Flemming Ove

    2007-01-01

    the obtainable features in direct laser machining as well as heat affected zones in welding processes. This paper describes the development of a measuring unit capable of analysing beam shape and diameter of lasers to be used in manufacturing processes. The analyser is based on the principle of a rotating......The quantitative and qualitative description of laser beam characteristics is important for process implementation and optimisation. In particular, a need for quantitative characterisation of beam diameter was identified when using fibre lasers for micro manufacturing. Here the beam diameter limits...... mechanical wire being swept through the laser beam at varying Z-heights. The reflected signal is analysed and the resulting beam profile determined. The development comprised the design of a flexible fixture capable of providing both rotation and Z-axis movement, control software including data capture...

  14. Combining resummed Higgs predictions across jet bins

    Energy Technology Data Exchange (ETDEWEB)

    Boughezal, Radja [Argonne National Laboratory, IL (United States). High Energy Physics Division; Liu, Xiaohui; Petriello, Frank [Argonne National Laboratory, IL (United States). High Energy Physics Division; Northwestern Univ., Evanston, IL (United States). Dept. of Physics and Astronomy; Tackmann, Frank J. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Walsh, Jonathan R. [California Univ., Berkeley, CA (United States). Ernest Orlando Lawrence Berkeley Laboratory; California Univ., Berkeley, CA (United States). Center for Theoretical Physics

    2013-12-15

    Experimental analyses often use jet binning to distinguish between different kinematic regimes and separate contributions from background processes. To accurately model theoretical uncertainties in these measurements, a consistent description of the jet bins is required. We present a complete framework for the combination of resummed results for production processes in different exclusive jet bins, focusing on Higgs production in gluon fusion as an example. We extend the resummation of the H+1-jet cross section into the challenging low transverse momentum region, lowering the uncertainties considerably. We provide combined predictions with resummation for cross sections in the H+0-jet and H+1-jet bins, and give an improved theory covariance matrix for use in experimental studies. We estimate that the relevant theoretical uncertainties on the signal strength in the H{yields}WW{sup *} analysis are reduced by nearly a factor of 2 compared to the current value.

  15. Contesting Citizenship: Comparative Analyses

    DEFF Research Database (Denmark)

    Siim, Birte; Squires, Judith

    2007-01-01

    importance of particularized experiences and multiple ineequality agendas). These developments shape the way citizenship is both practiced and analysed. Mapping neat citizenship modles onto distinct nation-states and evaluating these in relation to formal equality is no longer an adequate approach....... Comparative citizenship analyses need to be considered in relation to multipleinequalities and their intersections and to multiple governance and trans-national organisinf. This, in turn, suggests that comparative citizenship analysis needs to consider new spaces in which struggles for equal citizenship occur...

  16. Statistical and theoretical research

    International Nuclear Information System (INIS)

    Anon.

    1983-01-01

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

  17. Theoretical investigations on plasma centrifuges

    International Nuclear Information System (INIS)

    Hong, S.H.

    1978-01-01

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

  18. Risico-analyse brandstofpontons

    NARCIS (Netherlands)

    Uijt de Haag P; Post J; LSO

    2001-01-01

    Voor het bepalen van de risico's van brandstofpontons in een jachthaven is een generieke risico-analyse uitgevoerd. Er is een referentiesysteem gedefinieerd, bestaande uit een betonnen brandstofponton met een relatief grote inhoud en doorzet. Aangenomen is dat de ponton gelegen is in een

  19. Fast multichannel analyser

    Energy Technology Data Exchange (ETDEWEB)

    Berry, A; Przybylski, M M; Sumner, I [Science Research Council, Daresbury (UK). Daresbury Lab.

    1982-10-01

    A fast multichannel analyser (MCA) capable of sampling at a rate of 10/sup 7/ s/sup -1/ has been developed. The instrument is based on an 8 bit parallel encoding analogue to digital converter (ADC) reading into a fast histogramming random access memory (RAM) system, giving 256 channels of 64 k count capacity. The prototype unit is in CAMAC format.

  20. A fast multichannel analyser

    International Nuclear Information System (INIS)

    Berry, A.; Przybylski, M.M.; Sumner, I.

    1982-01-01

    A fast multichannel analyser (MCA) capable of sampling at a rate of 10 7 s -1 has been developed. The instrument is based on an 8 bit parallel encoding analogue to digital converter (ADC) reading into a fast histogramming random access memory (RAM) system, giving 256 channels of 64 k count capacity. The prototype unit is in CAMAC format. (orig.)

  1. Theoretical perspective for baryon number violation

    International Nuclear Information System (INIS)

    Langacker, P.

    1982-01-01

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

  2. Consumer brand choice: individual and group analyses of demand elasticity.

    Science.gov (United States)

    Oliveira-Castro, Jorge M; Foxall, Gordon R; Schrezenmaier, Teresa C

    2006-03-01

    Following the behavior-analytic tradition of analyzing individual behavior, the present research investigated demand elasticity of individual consumers purchasing supermarket products, and compared individual and group analyses of elasticity. Panel data from 80 UK consumers purchasing 9 product categories (i.e., baked beans, biscuits, breakfast cereals, butter, cheese, fruit juice, instant coffee, margarine and tea) during a 16-week period were used. Elasticity coefficients were calculated for individual consumers with data from all or only 1 product category (intra-consumer elasticities), and for each product category using all data points from all consumers (overall product elasticity) or 1 average data point per consumer (interconsumer elasticity). In addition to this, split-sample elasticity coefficients were obtained for each individual with data from all product categories purchased during weeks 1 to 8 and 9 to 16. The results suggest that: 1) demand elasticity coefficients calculated for individual consumers purchasing supermarket food products are compatible with predictions from economic theory and behavioral economics; 2) overall product elasticities, typically employed in marketing and econometric research, include effects of interconsumer and intraconsumer elasticities; 3) when comparing demand elasticities of different product categories, group and individual analyses yield similar trends; and 4) individual differences in demand elasticity are relatively consistent across time, but do not seem to be consistent across products. These results demonstrate the theoretical, methodological, and managerial relevance of investigating the behavior of individual consumers.

  3. MAAP - modular program for analyses of severe accidents

    International Nuclear Information System (INIS)

    Henry, R.E.; Lutz, R.J.

    1990-01-01

    The MAAP computer code was developed by Westinghouse as a fast, user-friendly, integrated analytical tool for evaluations of the sequences and consequences of severe accidents. The code allows a fully integrated treatment of thermohydraulic behavior and of the fission products in the primary system, the containment, and the ancillary buildings. This ensures interactive inclusion of all thermohydraulic events and of fission product behavior. All important phenomena which may occur in a major accident are contained in the modular code. In addition, many of the important parameters affecting the multitude of different phenomena can be defined by the user. In this way, it is possible to study the accuracy of the predicted course and of the consequences of a series of major accident phenomena. The MAAP code was subjected to extensive benchmarking with respect to the results of the experimental and theoretical programs, the findings obtained in other safety analyses using computers and data from accidents and transients in plants actually in operation. With the expected connection of the validation and test programs, the computer code attains a quality standard meeting the most stringent requirements in safety analyses. The code will be enlarged further in order to expand the number of benchmarks and the resolution of individual comparisons, and to ensure that future MAAP models will be in better agreement with the experiments and experiences of industry. (orig.) [de

  4. The power of theoretical knowledge.

    Science.gov (United States)

    Alligood, Martha Raile

    2011-10-01

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

  5. Possible future HERA analyses

    International Nuclear Information System (INIS)

    Geiser, Achim

    2015-12-01

    A variety of possible future analyses of HERA data in the context of the HERA data preservation programme is collected, motivated, and commented. The focus is placed on possible future analyses of the existing ep collider data and their physics scope. Comparisons to the original scope of the HERA pro- gramme are made, and cross references to topics also covered by other participants of the workshop are given. This includes topics on QCD, proton structure, diffraction, jets, hadronic final states, heavy flavours, electroweak physics, and the application of related theory and phenomenology topics like NNLO QCD calculations, low-x related models, nonperturbative QCD aspects, and electroweak radiative corrections. Synergies with other collider programmes are also addressed. In summary, the range of physics topics which can still be uniquely covered using the existing data is very broad and of considerable physics interest, often matching the interest of results from colliders currently in operation. Due to well-established data and MC sets, calibrations, and analysis procedures the manpower and expertise needed for a particular analysis is often very much smaller than that needed for an ongoing experiment. Since centrally funded manpower to carry out such analyses is not available any longer, this contribution not only targets experienced self-funded experimentalists, but also theorists and master-level students who might wish to carry out such an analysis.

  6. Biomass feedstock analyses

    Energy Technology Data Exchange (ETDEWEB)

    Wilen, C.; Moilanen, A.; Kurkela, E. [VTT Energy, Espoo (Finland). Energy Production Technologies

    1996-12-31

    The overall objectives of the project `Feasibility of electricity production from biomass by pressurized gasification systems` within the EC Research Programme JOULE II were to evaluate the potential of advanced power production systems based on biomass gasification and to study the technical and economic feasibility of these new processes with different type of biomass feed stocks. This report was prepared as part of this R and D project. The objectives of this task were to perform fuel analyses of potential woody and herbaceous biomasses with specific regard to the gasification properties of the selected feed stocks. The analyses of 15 Scandinavian and European biomass feed stock included density, proximate and ultimate analyses, trace compounds, ash composition and fusion behaviour in oxidizing and reducing atmospheres. The wood-derived fuels, such as whole-tree chips, forest residues, bark and to some extent willow, can be expected to have good gasification properties. Difficulties caused by ash fusion and sintering in straw combustion and gasification are generally known. The ash and alkali metal contents of the European biomasses harvested in Italy resembled those of the Nordic straws, and it is expected that they behave to a great extent as straw in gasification. Any direct relation between the ash fusion behavior (determined according to the standard method) and, for instance, the alkali metal content was not found in the laboratory determinations. A more profound characterisation of the fuels would require gasification experiments in a thermobalance and a PDU (Process development Unit) rig. (orig.) (10 refs.)

  7. Ab-initio theoretical predictions of structure properties of semiconductors

    International Nuclear Information System (INIS)

    Rodriguez, C.O.; Peltzer y Blanca, E.L.; Cappannini, O.M.

    1983-01-01

    In this paper, calculations of the total energies and related structural properties of Si, GaP and C are presented showing good agreement with experimental values. The total energy is calculated within the local-density functional formalism using first principles non-local pseudopotentials. (A.C.A.S.) [pt

  8. Theoretical prediction on corrugated sandwich panels under bending loads

    Science.gov (United States)

    Shu, Chengfu; Hou, Shujuan

    2018-05-01

    In this paper, an aluminum corrugated sandwich panel with triangular core under bending loads was investigated. Firstly, the equivalent material parameters of the triangular corrugated core layer, which could be considered as an orthotropic panel, were obtained by using Castigliano's theorem and equivalent homogeneous model. Secondly, contributions of the corrugated core layer and two face panels were both considered to compute the equivalent material parameters of the whole structure through the classical lamination theory, and these equivalent material parameters were compared with finite element analysis solutions. Then, based on the Mindlin orthotropic plate theory, this study obtain the closed-form solutions of the displacement for a corrugated sandwich panel under bending loads in specified boundary conditions, and parameters study and comparison by the finite element method were executed simultaneously.

  9. Emotion in Action : A Predictive Processing Perspective and Theoretical Synthesis

    NARCIS (Netherlands)

    Ridderinkhof, K.R.

    2017-01-01

    Starting from a decidedly Frijdian perspective on emotion in action, we adopt neurocognitive theories of action control to analyze the mechanisms through which emotional action arises. Appraisal of events vis-à-vis concerns gives rise to a determinate motive to establish a specific state of the

  10. Theoretical predictions of arsenic and selenium species under atmospheric conditions

    Energy Technology Data Exchange (ETDEWEB)

    Monahan-Pendergast, M.T.; Przybylek, M.; Lindblad, M.; Wilcox, J. [Worcester Polytechnic Institute, Worcester, MA (United States). Dept. of Chemical Engineering

    2008-03-15

    Thermochemical properties of arsenic and selenium species thought to be released into the atmosphere during the coal combustion were examined using ab initio methods. At various levels of theory, calculated geometries and vibrational frequencies of the species were compared with experimental data, where available. Through a comparison of equilibrium constants for a series of gaseous arsenic and selenium oxidation reactions involving OH and HO{sub 2}, five thermodynamically favored reactions were found. In addition, it was determined that all favored reactions were more likely to go to completion tinder tropospheric, rather than stratospheric, conditions.

  11. Theoretical Prediction of a Giant Anisotropic Magnetoresistance in Carbon Nanoscrolls.

    Science.gov (United States)

    Chang, Ching-Hao; Ortix, Carmine

    2017-05-10

    Snake orbits are trajectories of charge carriers curving back and forth that form at an interface where either the magnetic field direction or the charge carrier type are inverted. In ballistic samples, their presence is manifested in the appearance of magnetoconductance oscillations at small magnetic fields. Here we show that signatures of snake orbits can also be found in the opposite diffusive transport regime. We illustrate this by studying the classical magnetotransport properties of carbon tubular structures subject to relatively weak transversal magnetic fields where snake trajectories appear in close proximity to the zero radial field projections. In carbon nanoscrolls, the formation of snake orbits leads to a strongly directional dependent positive magnetoresistance with an anisotropy up to 80%.

  12. A theoretical prediction of thermodynamic properties of chlorine fluorides

    International Nuclear Information System (INIS)

    Du, Hongchen; Liu, Yan; Wang, Fang; Zhang, Jianying; Liu, Hui; Gong, Xuedong

    2011-01-01

    Graphical abstract: Correlation between the HOFs obtained from the formation reactions (HOF(FR)) and modified formation reactions (HOF(MFR)). Highlights: → We calculate the heats of formation of nine chlorine fluorides - ClF, ClF 3 , ClF 5 , ClFO, ClFO 2 , ClFO 3 , ClF 3 O 2 , ClF 3 O, and ClF 5 O. → The formation reaction in conjunction with the G3 theory can give accurate results. → ClF, ClF 3 , ClF 5 and ClF 3 O are stable at the room temperature. → ClFO 2 , ClF 3 O 2 and ClF 5 O may be stable at lower temperature. - Abstract: The heats of formation of ClF, ClF 3 , ClF 5 , ClFO, ClFO 2 , ClFO 3 , ClF 3 O 2 , ClF 3 O, and ClF 5 O have been calculated with the help of atomization reaction (AR), formation reaction (FR), and modified formation reaction (MFR) at the G3 and G3X (X = B3, MP2, and MP2B3) levels. FR or MFR in conjunction with the G3 theory can give accurate results close to experimental values. The standard thermodynamic functions of the title compounds have also been evaluated and the results agree well with the available experimental data. Results show that ClF, ClF 3 , ClF 5 and ClF 3 O are stable at the room temperature, and ClFO 2 , ClF 3 O 2 , and ClF 5 O may be stable at lower temperature.

  13. Theoretical Predictions of Giant Resonances in 94Mo

    Science.gov (United States)

    Golden, Matthew; Bonasera, Giacomo; Shlomo, Shalom

    2016-09-01

    We perform Hartree-Fock based Random Phase Approximation using thirty-three common Skyrme interactions found in the literature for 94Mo. We calculate the strength functions and the Centroid Energies of the Isoscalar Giant Resonances for all multipolarities L0, L1, L2, L3. We compare the calculated Centroid Energies with the experimental value; we also study the Centroid Energy and any correlation it may have with the Nuclear Matter properties of each interaction.

  14. Explaining clinical behaviors using multiple theoretical models

    Directory of Open Access Journals (Sweden)

    Eccles Martin P

    2012-10-01

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

  15. Explaining clinical behaviors using multiple theoretical models.

    Science.gov (United States)

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

    2012-10-17

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

  16. Defining and measuring blood donor altruism: a theoretical approach from biology, economics and psychology.

    Science.gov (United States)

    Evans, R; Ferguson, E

    2014-02-01

    While blood donation is traditionally described as a behaviour motivated by pure altruism, the assessment of altruism in the blood donation literature has not been theoretically informed. Drawing on theories of altruism from psychology, economics and evolutionary biology, it is argued that a theoretically derived psychometric assessment of altruism is needed. Such a measure is developed in this study that can be used to help inform both our understanding of the altruistic motives of blood donors and recruitment intervention strategies. A cross-sectional survey (N = 414), with a 1-month behavioural follow-up (time 2, N = 77), was designed to assess theoretically derived constructs from psychological, economic and evolutionary biological theories of altruism. Theory of planned behaviour (TPB) variables and co-operation were also assessed at time 1 and a measure of behavioural co-operation at time 2. Five theoretical dimensions (impure altruism, kinship, self-regarding motives, reluctant altruism and egalitarian warm glow) of altruism were identified through factor analyses. These five altruistic motives differentiated blood donors from non-donors (donors scored higher on impure altruism and reluctant altruism), showed incremental validity over TPB constructs to predict donor intention and predicted future co-operative behaviour. These findings show that altruism in the context of blood donation is multifaceted and complex and, does not reflect pure altruism. This has implication for recruitment campaigns that focus solely on pure altruism. © 2013 The Authors. Vox Sanguinis published by John Wiley & Sons Ltd. on behalf of International Society of Blood Transfusion.

  17. Engineering design and exergy analyses for combustion gas turbine based power generation system

    International Nuclear Information System (INIS)

    Sue, D.-C.; Chuang, C.-C.

    2004-01-01

    This paper presents the engineering design and theoretical exergetic analyses of the plant for combustion gas turbine based power generation systems. Exergy analysis is performed based on the first and second laws of thermodynamics for power generation systems. The results show the exergy analyses for a steam cycle system predict the plant efficiency more precisely. The plant efficiency for partial load operation is lower than full load operation. Increasing the pinch points will decrease the combined cycle plant efficiency. The engineering design is based on inlet air-cooling and natural gas preheating for increasing the net power output and efficiency. To evaluate the energy utilization, one combined cycle unit and one cogeneration system, consisting of gas turbine generators, heat recovery steam generators, one steam turbine generator with steam extracted for process have been analyzed. The analytical results are used for engineering design and component selection

  18. Theoretical chemistry advances and perspectives

    CERN Document Server

    Eyring, Henry

    1980-01-01

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

  19. AMS analyses at ANSTO

    Energy Technology Data Exchange (ETDEWEB)

    Lawson, E.M. [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW (Australia). Physics Division

    1998-03-01

    The major use of ANTARES is Accelerator Mass Spectrometry (AMS) with {sup 14}C being the most commonly analysed radioisotope - presently about 35 % of the available beam time on ANTARES is used for {sup 14}C measurements. The accelerator measurements are supported by, and dependent on, a strong sample preparation section. The ANTARES AMS facility supports a wide range of investigations into fields such as global climate change, ice cores, oceanography, dendrochronology, anthropology, and classical and Australian archaeology. Described here are some examples of the ways in which AMS has been applied to support research into the archaeology, prehistory and culture of this continent`s indigenous Aboriginal peoples. (author)

  20. AMS analyses at ANSTO

    International Nuclear Information System (INIS)

    Lawson, E.M.

    1998-01-01

    The major use of ANTARES is Accelerator Mass Spectrometry (AMS) with 14 C being the most commonly analysed radioisotope - presently about 35 % of the available beam time on ANTARES is used for 14 C measurements. The accelerator measurements are supported by, and dependent on, a strong sample preparation section. The ANTARES AMS facility supports a wide range of investigations into fields such as global climate change, ice cores, oceanography, dendrochronology, anthropology, and classical and Australian archaeology. Described here are some examples of the ways in which AMS has been applied to support research into the archaeology, prehistory and culture of this continent's indigenous Aboriginal peoples. (author)

  1. Theoretical-experimental comparison of vitrified glass container behavior using the Castem system

    International Nuclear Information System (INIS)

    Moncouyoux, J.P.; Jamet, P.; Combescure, A.; Millard, A.

    1989-01-01

    This paper compares theoretical predictions of vitrified nuclear waste glass package collapse with experimental values in order to qualify the mathematical models describing canister deformation under external pressure loads. After briefly outlining the program and describing the experiments performed, the paper discusses the theoretical predictions based on the INCA code from the CEA's CASTEM system

  2. Centrality of positive and negative deployment memories predicts posttraumatic growth in danish veterans

    DEFF Research Database (Denmark)

    Staugaard, Søren Risløv; Johannessen, Kim Berg; Thomsen, Yvonne Duval

    2015-01-01

    OBJECTIVE: The purpose of the present study was to examine theoretically motivated predictors for the development of positive changes following potentially traumatic experiences (i.e., posttraumatic growth). Specifically, we wanted to examine the prediction that memories of highly negative......-sectional analyses of the data. RESULTS: The main findings were that the centrality of highly emotional memories from deployment predicted growth alongside openness to experience, combat exposure, and social support. Importantly, the centrality of both positive and negative memories predicted growth equally well...

  3. Hybrid rocket engine, theoretical model and experiment

    Science.gov (United States)

    Chelaru, Teodor-Viorel; Mingireanu, Florin

    2011-06-01

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

  4. Theoretical models of neutron emission in fission

    International Nuclear Information System (INIS)

    Madland, D.G.

    1992-01-01

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

  5. Theoretical tools for B physics

    International Nuclear Information System (INIS)

    Mannel, T.

    2006-01-01

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

  6. Theoretical approaches to elections defining

    OpenAIRE

    Natalya V. Lebedeva

    2011-01-01

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

  7. Theoretical approaches to elections defining

    Directory of Open Access Journals (Sweden)

    Natalya V. Lebedeva

    2011-01-01

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

  8. 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.

  9. Theoretical Principles of Distance Education.

    Science.gov (United States)

    Keegan, Desmond, Ed.

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

  10. Uncertainty Analyses and Strategy

    International Nuclear Information System (INIS)

    Kevin Coppersmith

    2001-01-01

    The DOE identified a variety of uncertainties, arising from different sources, during its assessment of the performance of a potential geologic repository at the Yucca Mountain site. In general, the number and detail of process models developed for the Yucca Mountain site, and the complex coupling among those models, make the direct incorporation of all uncertainties difficult. The DOE has addressed these issues in a number of ways using an approach to uncertainties that is focused on producing a defensible evaluation of the performance of a potential repository. The treatment of uncertainties oriented toward defensible assessments has led to analyses and models with so-called ''conservative'' assumptions and parameter bounds, where conservative implies lower performance than might be demonstrated with a more realistic representation. The varying maturity of the analyses and models, and uneven level of data availability, result in total system level analyses with a mix of realistic and conservative estimates (for both probabilistic representations and single values). That is, some inputs have realistically represented uncertainties, and others are conservatively estimated or bounded. However, this approach is consistent with the ''reasonable assurance'' approach to compliance demonstration, which was called for in the U.S. Nuclear Regulatory Commission's (NRC) proposed 10 CFR Part 63 regulation (64 FR 8640 [DIRS 101680]). A risk analysis that includes conservatism in the inputs will result in conservative risk estimates. Therefore, the approach taken for the Total System Performance Assessment for the Site Recommendation (TSPA-SR) provides a reasonable representation of processes and conservatism for purposes of site recommendation. However, mixing unknown degrees of conservatism in models and parameter representations reduces the transparency of the analysis and makes the development of coherent and consistent probability statements about projected repository

  11. Thermal analyses. Information on the expected baking process; Thermische analyses. Informatie over een te verwachten bakgedrag

    Energy Technology Data Exchange (ETDEWEB)

    Van Wijck, H. [Stichting Technisch Centrum voor de Keramische Industrie TCKI, Velp (Netherlands)

    2009-09-01

    The design process and the drying process for architectural ceramics and pottery partly determine the characteristics of the final product, but the largest changes occur during the baking process. An overview is provided of the different thermal analyses and how the information from these analyses can predict the process in practice. (mk) [Dutch] Het vormgevingsproces en het droogproces voor bouwkeramische producten en aardewerk bepalen voor een deel de eigenschappen van de eindproducten, maar de grootste veranderingen treden op bij het bakproces. Een overzicht wordt gegeven van de verschillende thermische analyses en hoe de informatie uit deze analyses het in de praktijk te verwachten gedrag kan voorspellen.

  12. Nonlinear problems in theoretical physics

    International Nuclear Information System (INIS)

    Ranada, A.F.

    1979-01-01

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

  13. Micromechanical Analyses of Sturzstroms

    Science.gov (United States)

    Imre, Bernd; Laue, Jan; Springman, Sarah M.

    2010-05-01

    Sturzstroms are very fast landslides of very large initial volume. As type features they display extreme run out, pared with intensive fragmentation of the involved blocks of rock within a collisional flow. The inherent danger to the growing communities in alpine valleys below future potential sites of sturzstroms must be examined and results of predictions of endangered zones allow to impact upon the planning processes in these areas. This calls for the ability to make Type A predictions, according to Lambe (1973), which are done before an event. But Type A predictions are only possible if sufficient understanding of the mechanisms involved in a process is available. The motivation of the doctoral thesis research project presented is therefore to reveal the mechanics of sturzstroms in more detail in order to contribute to the development of a Type A run out prediction model. It is obvious that a sturzstrom represents a highly dynamic collisional granular regime. Thus particles do not only collide but will eventually crush each other. Erismann and Abele (2001) describe this process as dynamic disintegration, where kinetic energy is the main driver for fragmenting the rock mass. In this case an approach combining the type features long run out and fragmentation within a single hypothesis is represented by the dynamic fragmentation-spreading model (Davies and McSaveney, 2009; McSaveney and Davies, 2009). Unfortunately, sturzstroms, and fragmentation within sturzstroms, can not be observed directly in a real event because of their long "reoccurrence time" and the obvious difficulties in placing measuring devices within such a rock flow. Therefore, rigorous modelling is required in particular of the transition from static to dynamic behaviour to achieve better knowledge of the mechanics of sturzstroms, and to provide empirical evidence to confirm the dynamic fragmentation-spreading model. Within this study fragmentation and their effects on the mobility of sturzstroms

  14. A simple beam analyser

    International Nuclear Information System (INIS)

    Lemarchand, G.

    1977-01-01

    (ee'p) experiments allow to measure the missing energy distribution as well as the momentum distribution of the extracted proton in the nucleus versus the missing energy. Such experiments are presently conducted on SACLAY's A.L.S. 300 Linac. Electrons and protons are respectively analysed by two spectrometers and detected in their focal planes. Counting rates are usually low and include time coincidences and accidentals. Signal-to-noise ratio is dependent on the physics of the experiment and the resolution of the coincidence, therefore it is mandatory to get a beam current distribution as flat as possible. Using new technologies has allowed to monitor in real time the behavior of the beam pulse and determine when the duty cycle can be considered as being good with respect to a numerical basis

  15. EEG analyses with SOBI.

    Energy Technology Data Exchange (ETDEWEB)

    Glickman, Matthew R.; Tang, Akaysha (University of New Mexico, Albuquerque, NM)

    2009-02-01

    The motivating vision behind Sandia's MENTOR/PAL LDRD project has been that of systems which use real-time psychophysiological data to support and enhance human performance, both individually and of groups. Relevant and significant psychophysiological data being a necessary prerequisite to such systems, this LDRD has focused on identifying and refining such signals. The project has focused in particular on EEG (electroencephalogram) data as a promising candidate signal because it (potentially) provides a broad window on brain activity with relatively low cost and logistical constraints. We report here on two analyses performed on EEG data collected in this project using the SOBI (Second Order Blind Identification) algorithm to identify two independent sources of brain activity: one in the frontal lobe and one in the occipital. The first study looks at directional influences between the two components, while the second study looks at inferring gender based upon the frontal component.

  16. Pathway-based analyses.

    Science.gov (United States)

    Kent, Jack W

    2016-02-03

    New technologies for acquisition of genomic data, while offering unprecedented opportunities for genetic discovery, also impose severe burdens of interpretation and penalties for multiple testing. The Pathway-based Analyses Group of the Genetic Analysis Workshop 19 (GAW19) sought reduction of multiple-testing burden through various approaches to aggregation of highdimensional data in pathways informed by prior biological knowledge. Experimental methods testedincluded the use of "synthetic pathways" (random sets of genes) to estimate power and false-positive error rate of methods applied to simulated data; data reduction via independent components analysis, single-nucleotide polymorphism (SNP)-SNP interaction, and use of gene sets to estimate genetic similarity; and general assessment of the efficacy of prior biological knowledge to reduce the dimensionality of complex genomic data. The work of this group explored several promising approaches to managing high-dimensional data, with the caveat that these methods are necessarily constrained by the quality of external bioinformatic annotation.

  17. Analysing Access Control Specifications

    DEFF Research Database (Denmark)

    Probst, Christian W.; Hansen, René Rydhof

    2009-01-01

    When prosecuting crimes, the main question to answer is often who had a motive and the possibility to commit the crime. When investigating cyber crimes, the question of possibility is often hard to answer, as in a networked system almost any location can be accessed from almost anywhere. The most...... common tool to answer this question, analysis of log files, faces the problem that the amount of logged data may be overwhelming. This problems gets even worse in the case of insider attacks, where the attacker’s actions usually will be logged as permissible, standard actions—if they are logged at all....... Recent events have revealed intimate knowledge of surveillance and control systems on the side of the attacker, making it often impossible to deduce the identity of an inside attacker from logged data. In this work we present an approach that analyses the access control configuration to identify the set...

  18. 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.

  19. Seismic fragility analyses

    International Nuclear Information System (INIS)

    Kostov, Marin

    2000-01-01

    In the last two decades there is increasing number of probabilistic seismic risk assessments performed. The basic ideas of the procedure for performing a Probabilistic Safety Analysis (PSA) of critical structures (NUREG/CR-2300, 1983) could be used also for normal industrial and residential buildings, dams or other structures. The general formulation of the risk assessment procedure applied in this investigation is presented in Franzini, et al., 1984. The probability of failure of a structure for an expected lifetime (for example 50 years) can be obtained from the annual frequency of failure, β E determined by the relation: β E ∫[d[β(x)]/dx]P(flx)dx. β(x) is the annual frequency of exceedance of load level x (for example, the variable x may be peak ground acceleration), P(fI x) is the conditional probability of structure failure at a given seismic load level x. The problem leads to the assessment of the seismic hazard β(x) and the fragility P(fl x). The seismic hazard curves are obtained by the probabilistic seismic hazard analysis. The fragility curves are obtained after the response of the structure is defined as probabilistic and its capacity and the associated uncertainties are assessed. Finally the fragility curves are combined with the seismic loading to estimate the frequency of failure for each critical scenario. The frequency of failure due to seismic event is presented by the scenario with the highest frequency. The tools usually applied for probabilistic safety analyses of critical structures could relatively easily be adopted to ordinary structures. The key problems are the seismic hazard definitions and the fragility analyses. The fragility could be derived either based on scaling procedures or on the base of generation. Both approaches have been presented in the paper. After the seismic risk (in terms of failure probability) is assessed there are several approaches for risk reduction. Generally the methods could be classified in two groups. The

  20. Frequency, probability, and prediction: easy solutions to cognitive illusions?

    Science.gov (United States)

    Griffin, D; Buehler, R

    1999-02-01

    Many errors in probabilistic judgment have been attributed to people's inability to think in statistical terms when faced with information about a single case. Prior theoretical analyses and empirical results imply that the errors associated with case-specific reasoning may be reduced when people make frequentistic predictions about a set of cases. In studies of three previously identified cognitive biases, we find that frequency-based predictions are different from-but no better than-case-specific judgments of probability. First, in studies of the "planning fallacy, " we compare the accuracy of aggregate frequency and case-specific probability judgments in predictions of students' real-life projects. When aggregate and single-case predictions are collected from different respondents, there is little difference between the two: Both are overly optimistic and show little predictive validity. However, in within-subject comparisons, the aggregate judgments are significantly more conservative than the single-case predictions, though still optimistically biased. Results from studies of overconfidence in general knowledge and base rate neglect in categorical prediction underline a general conclusion. Frequentistic predictions made for sets of events are no more statistically sophisticated, nor more accurate, than predictions made for individual events using subjective probability. Copyright 1999 Academic Press.