WorldWideScience

Sample records for model theoretical predictions

  1. THE THEORETICAL MODEL FOR PREDICTING CIRCULATION VELOCITY OF HYDRAULIC BRAKE

    Institute of Scientific and Technical Information of China (English)

    刘英林; 侯春生

    1997-01-01

    By rational hypothesis of fluid flow pattern, applied the law of conservation of energy and integrated the laboratory test results, finished the prediction by the theoretical model of circulation velocity of hydraulic brake which is important parameter. Thus provide the theoritical basis for hydraulic brake of belt conveyor whose research has just been started.

  2. Stability of theoretical model for catastrophic weather prediction

    Institute of Scientific and Technical Information of China (English)

    SHI Wei-hui; WANG Yue-peng

    2007-01-01

    Stability related to theoretical model for catastrophic weather prediction,which includes non-hydrostatic perfect elastic model and anelastic model, is discussed and analyzed in detail. It is proved that non-hydrostatic perfect elastic equations set is stable in the class of infinitely differentiable function. However, for the anelastic equations set, its continuity equation is changed in form because of the particular hypothesis for fluid, so "the matching consisting of both viscosity coefficient and incompressible assumption" appears, thereby the most important equations set of this class in practical prediction shows the same instability in topological property as Navier-Stokes equation,which should be avoided first in practical numerical prediction. In light of this, the referenced suggestions to amend the applied model are finally presented.

  3. Theoretical model for forming limit diagram predictions without initial inhomogeneity

    Science.gov (United States)

    Gologanu, Mihai; Comsa, Dan Sorin; Banabic, Dorel

    2013-05-01

    We report on our attempts to build a theoretical model for determining forming limit diagrams (FLD) based on limit analysis that, contrary to the well-known Marciniak and Kuczynski (M-K) model, does not assume the initial existence of a region with material or geometrical inhomogeneity. We first give a new interpretation based on limit analysis for the onset of necking in the M-K model. Considering the initial thickness defect along a narrow band as postulated by the M-K model, we show that incipient necking is a transition in the plastic mechanism from one of plastic flow in both the sheet and the band to another one where the sheet becomes rigid and all plastic deformation is localized in the band. We then draw on some analogies between the onset of necking in a sheet and the onset of coalescence in a porous bulk body. In fact, the main advance in coalescence modeling has been based on a similar limit analysis with an important new ingredient: the evolution of the spatial distribution of voids, due to the plastic deformation, creating weaker regions with higher porosity surrounded by sound regions with no voids. The onset of coalescence is precisely the transition from a mechanism of plastic deformation in both regions to another one, where the sound regions are rigid. We apply this new ingredient to a necking model based on limit analysis, for the first quadrant of the FLD and a porous sheet. We use Gurson's model with some recent extensions to model the porous material. We follow both the evolution of a homogeneous sheet and the evolution of the distribution of voids. At each moment we test for a potential change of plastic mechanism, by comparing the stresses in the uniform region to those in a virtual band with a larger porosity. The main difference with the coalescence of voids in a bulk solid is that the plastic mechanism for a sheet admits a supplementary degree of freedom, namely the change in the thickness of the virtual band. For strain ratios close to

  4. A Physically Based Theoretical Model of Spore Deposition for Predicting Spread of Plant Diseases.

    Science.gov (United States)

    Isard, Scott A; Chamecki, Marcelo

    2016-03-01

    A physically based theory for predicting spore deposition downwind from an area source of inoculum is presented. The modeling framework is based on theories of turbulence dispersion in the atmospheric boundary layer and applies only to spores that escape from plant canopies. A "disease resistance" coefficient is introduced to convert the theoretical spore deposition model into a simple tool for predicting disease spread at the field scale. Results from the model agree well with published measurements of Uromyces phaseoli spore deposition and measurements of wheat leaf rust disease severity. The theoretical model has the advantage over empirical models in that it can be used to assess the influence of source distribution and geometry, spore characteristics, and meteorological conditions on spore deposition and disease spread. The modeling framework is refined to predict the detailed two-dimensional spatial pattern of disease spread from an infection focus. Accounting for the time variations of wind speed and direction in the refined modeling procedure improves predictions, especially near the inoculum source, and enables application of the theoretical modeling framework to field experiment design.

  5. Rational Design of Lanthanoid Single-Ion Magnets: Predictive Power of the Theoretical Models.

    Science.gov (United States)

    Baldoví, José J; Duan, Yan; Morales, Roser; Gaita-Ariño, Alejandro; Ruiz, Eliseo; Coronado, Eugenio

    2016-09-12

    We report two new single-ion magnets (SIMs) of a family of oxydiacetate lanthanide complexes with D3 symmetry to test the predictive capabilities of complete active space ab initio methods (CASSCF and CASPT2) and the semiempirical radial effective charge (REC) model. Comparison of the theoretical predictions of the energy levels, wave functions and magnetic properties with detailed spectroscopic and magnetic characterisation is used to critically discuss the limitations of these theoretical approaches. The need for spectroscopic information for a reliable description of the properties of lanthanide SIMs is emphasised.

  6. Theoretical Uncertainties due to AGN Subgrid Models in Predictions of Galaxy Cluster Observable Properties

    CERN Document Server

    Yang, H -Y K; Ricker, P M

    2012-01-01

    Cosmological constraints derived from galaxy clusters rely on accurate predictions of cluster observable properties, in which feedback from active galactic nuclei (AGN) is a critical component. In order to model the physical effects due to supermassive black holes (SMBH) on cosmological scales, subgrid modeling is required, and a variety of implementations have been developed in the literature. However, theoretical uncertainties due to model and parameter variations are not yet well understood, limiting the predictive power of simulations including AGN feedback. By performing a detailed parameter sensitivity study in a single cluster using several commonly-adopted AGN accretion and feedback models with FLASH, we quantify the model uncertainties in predictions of cluster integrated properties. We find that quantities that are more sensitive to gas density have larger uncertainties (~20% for Mgas and a factor of ~2 for Lx at R500), whereas Tx, Ysz, and Yx are more robust (~10-20% at R500). To make predictions b...

  7. Theoretical and Statistical Models for Predicting Flux in Direct Contact Membrane Distillation

    Directory of Open Access Journals (Sweden)

    Atia E. Khalifa

    2014-06-01

    Full Text Available Theoretical modelhas been applied to predict the performance of Direct Contact Membrane Distillation (DCMD based on the analysis of heat and mass transfer through the membrane. The performance of DCMD on the account of different operating parameters had been predicted. Feed inlet temperature, coolant inlet temperature, feed flow rate and coolant flow rate are the considered performance variables. Based on the data obtained from theoretical model, statistical analysis of variance (ANOVA was then performed to determine the significant effect of each operating factors on the DCMD system performance. A new regression model was subsequently developed for predicting the performance of the DCMD system. Resultsrevealed that both theoretical and regression models were in good agreement with each other and also with the selected experimental data used for validation. The maximum percentage error between the two models was found to be1.098%. Hence, the developed regression model is adequate for predict the performance of DCMD system within the domain of the considered analysis.

  8. A Novel Information-Theoretic Approach for Variable Clustering and Predictive Modeling Using Dirichlet Process Mixtures

    OpenAIRE

    Yun Chen; Hui Yang

    2016-01-01

    In the era of big data, there are increasing interests on clustering variables for the minimization of data redundancy and the maximization of variable relevancy. Existing clustering methods, however, depend on nontrivial assumptions about the data structure. Note that nonlinear interdependence among variables poses significant challenges on the traditional framework of predictive modeling. In the present work, we reformulate the problem of variable clustering from an information theoretic pe...

  9. Prediction of the amount of urban waste solids by applying a gray theoretical model

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Urban waste solids are now becoming one of the most crucial environmental problems. There are several different kinds of technologies normally used for waste solids disposal, among which landfill is more favorable in China than others, especially for urban waste solids. Most of the design works up to now are based on a roughly estimation of the amount of urban waste solids without any theoretical support, which lead to a series problems. To meet the basic information requirements for the design work, the amount of the urban waste solids was predicted in this research by applying the gray theoretical model GM (1,1) through non-linear differential equation simulation. The model parameters were estimated with the least square method (LSM) by running a certain MATALAB program, and the hypothesis test results show that the residual between the prediction value and the actual value approximately comply with the normal distribution , and the probability of the residual within the range (-0.17, 0.19) is more than 95%, which indicate obviously that the model can be well used for the prediction of the amount of waste solids and those had been already testified by the latest two years data about the urban waste solids from Loudi City of China. With this model, the predicted amount of the waste solids produced in Loudi City in the next 30 years is 8049000 ton in total.

  10. 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)

  11. 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.

  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. Theoretical Model for Predicting Moisture Ratio during Drying of Spherical Particles in a Rotary Dryer

    Directory of Open Access Journals (Sweden)

    F. T. Ademiluyi

    2013-01-01

    Full Text Available A mathematical model was developed for predicting the drying kinetics of spherical particles in a rotary dryer. Drying experiments were carried out by drying fermented ground cassava particles in a bench scale rotary dryer at inlet air temperatures of 115–230°C, air velocities of 0.83 m/s–1.55 m/s, feed mass of 50–500 g, drum drive speed of 8 rpm, and feed drive speed of 100 rpm to validate the model. The data obtained from the experiments were used to calculate the experimental moisture ratio which compared well with the theoretical moisture ratio calculated from the newly developed Abowei-Ademiluyi model. The comparisons and correlations of the results indicate that validation and performance of the established model are rather reasonable.

  14. 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.

  15. A Novel Information-Theoretic Approach for Variable Clustering and Predictive Modeling Using Dirichlet Process Mixtures

    Science.gov (United States)

    Chen, Yun; Yang, Hui

    2016-12-01

    In the era of big data, there are increasing interests on clustering variables for the minimization of data redundancy and the maximization of variable relevancy. Existing clustering methods, however, depend on nontrivial assumptions about the data structure. Note that nonlinear interdependence among variables poses significant challenges on the traditional framework of predictive modeling. In the present work, we reformulate the problem of variable clustering from an information theoretic perspective that does not require the assumption of data structure for the identification of nonlinear interdependence among variables. Specifically, we propose the use of mutual information to characterize and measure nonlinear correlation structures among variables. Further, we develop Dirichlet process (DP) models to cluster variables based on the mutual-information measures among variables. Finally, orthonormalized variables in each cluster are integrated with group elastic-net model to improve the performance of predictive modeling. Both simulation and real-world case studies showed that the proposed methodology not only effectively reveals the nonlinear interdependence structures among variables but also outperforms traditional variable clustering algorithms such as hierarchical clustering.

  16. A Novel Information-Theoretic Approach for Variable Clustering and Predictive Modeling Using Dirichlet Process Mixtures.

    Science.gov (United States)

    Chen, Yun; Yang, Hui

    2016-12-14

    In the era of big data, there are increasing interests on clustering variables for the minimization of data redundancy and the maximization of variable relevancy. Existing clustering methods, however, depend on nontrivial assumptions about the data structure. Note that nonlinear interdependence among variables poses significant challenges on the traditional framework of predictive modeling. In the present work, we reformulate the problem of variable clustering from an information theoretic perspective that does not require the assumption of data structure for the identification of nonlinear interdependence among variables. Specifically, we propose the use of mutual information to characterize and measure nonlinear correlation structures among variables. Further, we develop Dirichlet process (DP) models to cluster variables based on the mutual-information measures among variables. Finally, orthonormalized variables in each cluster are integrated with group elastic-net model to improve the performance of predictive modeling. Both simulation and real-world case studies showed that the proposed methodology not only effectively reveals the nonlinear interdependence structures among variables but also outperforms traditional variable clustering algorithms such as hierarchical clustering.

  17. Comparison of statistical and theoretical habitat models for conservation planning: the benefit of ensemble prediction

    Science.gov (United States)

    Jones-Farrand, D. Todd; Fearer, Todd M.; Thogmartin, Wayne E.; Thompson, Frank R.; Nelson, Mark D.; Tirpak, John M.

    2011-01-01

    Selection of a modeling approach is an important step in the conservation planning process, but little guidance is available. We compared two statistical and three theoretical habitat modeling approaches representing those currently being used for avian conservation planning at landscape and regional scales: hierarchical spatial count (HSC), classification and regression tree (CRT), habitat suitability index (HSI), forest structure database (FS), and habitat association database (HA). We focused our comparison on models for five priority forest-breeding species in the Central Hardwoods Bird Conservation Region: Acadian Flycatcher, Cerulean Warbler, Prairie Warbler, Red-headed Woodpecker, and Worm-eating Warbler. Lacking complete knowledge on the distribution and abundance of each species with which we could illuminate differences between approaches and provide strong grounds for recommending one approach over another, we used two approaches to compare models: rank correlations among model outputs and comparison of spatial correspondence. In general, rank correlations were significantly positive among models for each species, indicating general agreement among the models. Worm-eating Warblers had the highest pairwise correlations, all of which were significant (P , 0.05). Red-headed Woodpeckers had the lowest agreement among models, suggesting greater uncertainty in the relative conservation value of areas within the region. We assessed model uncertainty by mapping the spatial congruence in priorities (i.e., top ranks) resulting from each model for each species and calculating the coefficient of variation across model ranks for each location. This allowed identification of areas more likely to be good targets of conservation effort for a species, those areas that were least likely, and those in between where uncertainty is higher and thus conservation action incorporates more risk. Based on our results, models developed independently for the same purpose

  18. A Theoretical Model on Solvus Line Prediction of Film and Its Application in Nanogranular Al-Cu System

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A theoretical model on the solvus line prediction of a film was proposed and applied to a nanogranular Al-Cu system. The calculation results show that the solvus line of solute Cu will markedly lower with the decrease of grain size, namely, the starting temperature of θ (Al2Cu) precipitation in a nanogranular Al-Cu film will markedly lower than that of conventional coarse grain alloy with the same Cu concentration, and the precipitation temperatures calculated are comparable with the experimental ones. The theoretical model can be simply used to principle, used to predict precipitation temperature in other systems.

  19. Theoretical investigation of thermodynamic balance between cluster isomers and statistical model for predicting isomerization rate

    CERN Document Server

    Lin, Zheng-Zhe

    2013-01-01

    By molecular dynamics simulations and free energy calculations based on Monte Carlo method, the detailed balance between Pt cluster isomers was investigated. For clusters of n50. Then, a statistical mechanical model was built to evaluate unimolecular isomerization rate and simplify the prediction of isomer formation probability. This model is simpler than transition state theory and can be easily applied on ab initio calculations to predict the lifetime of nanostructures.

  20. 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.

  1. 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.

  2. The brightness of the red giant branch tip. Theoretical framework, a set of reference models, and predicted observables

    Science.gov (United States)

    Serenelli, A.; Weiss, A.; Cassisi, S.; Salaris, M.; Pietrinferni, A.

    2017-10-01

    Context. The brightness of the tip of the red giant branch is a useful reference quantity for several fields of astrophysics. An accurate theoretical prediction is needed for such purposes. Aims: We provide a solid theoretical prediction for the brightness of the tip of the red giant branch, valid for a reference set of standard physical assumptions, and mostly independent of numerical details. Methods: We examine the dependence on physical assumptions and numerical details for a wide range of metallicities and masses and based on two different stellar evolution codes. We adjust differences between the codes to treat the physics as identically as possible. After we have succeeded in reproducing the tip brightness between the codes, we present a reference set of models based on the most up to date physical inputs, but neglecting microscopic diffusion, and convert theoretical luminosities to observed infrared colours suitable for observations of resolved populations of stars and include analytic fits to facilitate their use. Results: We find that consistent use of updated nuclear reactions, including an appropriate treatment of the electron screening effects, and careful time-stepping on the upper red giant branch are the most important aspects to bring initially discrepant theoretical values into agreement. Small but visible differences remain unexplained for very low metallicities and mass values at and above 1.2 M⊙, corresponding to ages younger than 4 Gyr. The colour transformations introduce larger uncertainties than the differences between the two stellar evolution codes. Conclusions: We demonstrate that careful stellar modelling allows an accurate prediction for the luminosity of the red giant branch tip. Differences to empirically determined brightnesses may result either from insufficient colour transformations or from deficits in the constitutional physics. We present the best-tested theoretical reference values to date.

  3. 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.

  4. A Theoretical Model to Predict Both Horizontal Displacement and Vertical Displacement for Electromagnetic Induction-Based Deep Displacement Sensors

    Directory of Open Access Journals (Sweden)

    Xiong Li

    2011-12-01

    Full Text Available Deep displacement observation is one basic means of landslide dynamic study and early warning monitoring and a key part of engineering geological investigation. In our previous work, we proposed a novel electromagnetic induction-based deep displacement sensor (I-type to predict deep horizontal displacement and a theoretical model called equation-based equivalent loop approach (EELA to describe its sensing characters. However in many landslide and related geological engineering cases, both horizontal displacement and vertical displacement vary apparently and dynamically so both may require monitoring. In this study, a II-type deep displacement sensor is designed by revising our I-type sensor to simultaneously monitor the deep horizontal displacement and vertical displacement variations at different depths within a sliding mass. Meanwhile, a new theoretical modeling called the numerical integration-based equivalent loop approach (NIELA has been proposed to quantitatively depict II-type sensors’ mutual inductance properties with respect to predicted horizontal displacements and vertical displacements. After detailed examinations and comparative studies between measured mutual inductance voltage, NIELA-based mutual inductance and EELA-based mutual inductance, NIELA has verified to be an effective and quite accurate analytic model for characterization of II-type sensors. The NIELA model is widely applicable for II-type sensors’ monitoring on all kinds of landslides and other related geohazards with satisfactory estimation accuracy and calculation efficiency.

  5. A theoretical model to predict both horizontal displacement and vertical displacement for electromagnetic induction-based deep displacement sensors.

    Science.gov (United States)

    Shentu, Nanying; Zhang, Hongjian; Li, Qing; Zhou, Hongliang; Tong, Renyuan; Li, Xiong

    2012-01-01

    Deep displacement observation is one basic means of landslide dynamic study and early warning monitoring and a key part of engineering geological investigation. In our previous work, we proposed a novel electromagnetic induction-based deep displacement sensor (I-type) to predict deep horizontal displacement and a theoretical model called equation-based equivalent loop approach (EELA) to describe its sensing characters. However in many landslide and related geological engineering cases, both horizontal displacement and vertical displacement vary apparently and dynamically so both may require monitoring. In this study, a II-type deep displacement sensor is designed by revising our I-type sensor to simultaneously monitor the deep horizontal displacement and vertical displacement variations at different depths within a sliding mass. Meanwhile, a new theoretical modeling called the numerical integration-based equivalent loop approach (NIELA) has been proposed to quantitatively depict II-type sensors' mutual inductance properties with respect to predicted horizontal displacements and vertical displacements. After detailed examinations and comparative studies between measured mutual inductance voltage, NIELA-based mutual inductance and EELA-based mutual inductance, NIELA has verified to be an effective and quite accurate analytic model for characterization of II-type sensors. The NIELA model is widely applicable for II-type sensors' monitoring on all kinds of landslides and other related geohazards with satisfactory estimation accuracy and calculation efficiency.

  6. 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.

  7. Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants

    Science.gov (United States)

    Gramatica, Paola

    This chapter surveys the QSAR modeling approaches (developed by the author's research group) for the validated prediction of environmental properties of organic pollutants. Various chemometric methods, based on different theoretical molecular descriptors, have been applied: explorative techniques (such as PCA for ranking, SOM for similarity analysis), modeling approaches by multiple-linear regression (MLR, in particular OLS), and classification methods (mainly k-NN, CART, CP-ANN). The focus of this review is on the main topics of environmental chemistry and ecotoxicology, related to the physico-chemical properties, the reactivity, and biological activity of chemicals of high environmental concern. Thus, the review deals with atmospheric degradation reactions of VOCs by tropospheric oxidants, persistence and long-range transport of POPs, sorption behavior of pesticides (Koc and leaching), bioconcentration, toxicity (acute aquatic toxicity, mutagenicity of PAHs, estrogen binding activity for endocrine disruptors compounds (EDCs)), and finally persistent bioaccumulative and toxic (PBT) behavior for the screening and prioritization of organic pollutants. Common to all the proposed models is the attention paid to model validation for predictive ability (not only internal, but also external for chemicals not participating in the model development) and checking of the chemical domain of applicability. Adherence to such a policy, requested also by the OECD principles, ensures the production of reliable predicted data, useful also in the new European regulation of chemicals, REACH.

  8. Theoretical study of statistical fractal model with applications to mineral resource prediction

    Science.gov (United States)

    Wei, Shen; Pengda, Zhao

    2002-04-01

    The statistical estimation of fractal dimensions is an important topic of investigation. Current solutions emphsize visual straight-line fitting, but nonlinear statistical modeling has the potential of making valuable contributions in this field. In this paper, we present the concepts of generalized fractal models and generalized fractal dimension and conclude that many geological models are special cases of the generalized models. We show that the power-function distribution possesses the fractal property of scaling invariance under upper truncation, which may help in lead statistical fractal modeling. A new method is developed on the basis of nonlinear regression to estimate fractal parameters. This method has advantages with respect to the traditional method based on linear regression for estimating the fractal dimension. Finally, the new method is illustrated by means of application to a real data set.

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

    DEFF Research Database (Denmark)

    Singh, Shobhana; Kumar, Subodh

    2012-01-01

    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...

  10. A Theoretical Model for Predicting Residual Stress Generation in Fabrication Process of Double-Ceramic-Layer Thermal Barrier Coating System.

    Science.gov (United States)

    Song, Yan; Wu, Weijie; Xie, Feng; Liu, Yilun; Wang, Tiejun

    2017-01-01

    Residual stress arisen in fabrication process of Double-Ceramic-Layer Thermal Barrier Coating System (DCL-TBCs) has a significant effect on its quality and reliability. In this work, based on the practical fabrication process of DCL-TBCs and the force and moment equilibrium, a theoretical model was proposed at first to predict residual stress generation in its fabrication process, in which the temperature dependent material properties of DCL-TBCs were incorporated. Then, a Finite Element method (FEM) has been carried out to verify our theoretical model. Afterwards, some important geometric parameters for DCL-TBCs, such as the thickness ratio of stabilized Zirconia (YSZ, ZrO2-8%Y2O3) layer to Lanthanum Zirconate (LZ, La2Zr2O7) layer, which is adjustable in a wide range in the fabrication process, have a remarkable effect on its performance, therefore, the effect of this thickness ratio on residual stress generation in the fabrication process of DCL-TBCs has been systematically studied. In addition, some thermal spray treatment, such as the pre-heating treatment, its effect on residual stress generation has also been studied in this work. It is found that, the final residual stress mainly comes from the cooling down process in the fabrication of DCL-TBCs. Increasing the pre-heating temperature can obviously decrease the magnitude of residual stresses in LZ layer, YSZ layer and substrate. With the increase of the thickness ratio of YSZ layer to LZ layer, magnitudes of residual stresses arisen in LZ layer and YSZ layer will increase while residual stress in substrate will decrease.

  11. A Theoretical Model for Predicting Residual Stress Generation in Fabrication Process of Double-Ceramic-Layer Thermal Barrier Coating System

    Science.gov (United States)

    Song, Yan; Wu, Weijie; Xie, Feng; Liu, Yilun; Wang, Tiejun

    2017-01-01

    Residual stress arisen in fabrication process of Double-Ceramic-Layer Thermal Barrier Coating System (DCL-TBCs) has a significant effect on its quality and reliability. In this work, based on the practical fabrication process of DCL-TBCs and the force and moment equilibrium, a theoretical model was proposed at first to predict residual stress generation in its fabrication process, in which the temperature dependent material properties of DCL-TBCs were incorporated. Then, a Finite Element method (FEM) has been carried out to verify our theoretical model. Afterwards, some important geometric parameters for DCL-TBCs, such as the thickness ratio of stabilized Zirconia (YSZ, ZrO2-8%Y2O3) layer to Lanthanum Zirconate (LZ, La2Zr2O7) layer, which is adjustable in a wide range in the fabrication process, have a remarkable effect on its performance, therefore, the effect of this thickness ratio on residual stress generation in the fabrication process of DCL-TBCs has been systematically studied. In addition, some thermal spray treatment, such as the pre-heating treatment, its effect on residual stress generation has also been studied in this work. It is found that, the final residual stress mainly comes from the cooling down process in the fabrication of DCL-TBCs. Increasing the pre-heating temperature can obviously decrease the magnitude of residual stresses in LZ layer, YSZ layer and substrate. With the increase of the thickness ratio of YSZ layer to LZ layer, magnitudes of residual stresses arisen in LZ layer and YSZ layer will increase while residual stress in substrate will decrease. PMID:28103275

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

    Science.gov (United States)

    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 pu...

  13. Predicting breast-feeding intention among low-income pregnant women: a comparison of two theoretical models.

    Science.gov (United States)

    Kloeblen, A S; Thompson, N J; Miner, K R

    1999-10-01

    This study examined the applicability of the transtheoretical model and a model derived from the theory of reasoned action for predicting breast-feeding intention among low-income pregnant women. Participants completed a 70-item self-report questionnaire assessing their breast-feeding attitudes, intentions, and support. A positive correlation existed between Stages of Change for breast-feeding and the number of Processes of Change used by respondents. A negative correlation existed between Stages of Change for breast-feeding and the number of negative breast-feeding beliefs held by respondents. Furthermore, women's normative beliefs and outcome beliefs were significantly correlated with breast-feeding intention in manners consistent with the model developed from the theory of reasoned action. After accounting for significant sociodemographic and lifestyle factors, the Processes of Change and outcome beliefs remained independently correlated with breast-feeding intention. These models are capable of predicting the intention to breast-feed and might offer an innovative approach for further breast-feeding research and intervention development.

  14. An empirical/theoretical model with dimensionless numbers to predict the performance of electrodialysis systems on the basis of operating conditions.

    Science.gov (United States)

    Karimi, Leila; Ghassemi, Abbas

    2016-07-01

    Among the different technologies developed for desalination, the electrodialysis/electrodialysis reversal (ED/EDR) process is one of the most promising for treating brackish water with low salinity when there is high risk of scaling. Multiple researchers have investigated ED/EDR to optimize the process, determine the effects of operating parameters, and develop theoretical/empirical models. Previously published empirical/theoretical models have evaluated the effect of the hydraulic conditions of the ED/EDR on the limiting current density using dimensionless numbers. The reason for previous studies' emphasis on limiting current density is twofold: 1) to maximize ion removal, most ED/EDR systems are operated close to limiting current conditions if there is not a scaling potential in the concentrate chamber due to a high concentration of less-soluble salts; and 2) for modeling the ED/EDR system with dimensionless numbers, it is more accurate and convenient to use limiting current density, where the boundary layer's characteristics are known at constant electrical conditions. To improve knowledge of ED/EDR systems, ED/EDR models should be also developed for the Ohmic region, where operation reduces energy consumption, facilitates targeted ion removal, and prolongs membrane life compared to limiting current conditions. In this paper, theoretical/empirical models were developed for ED/EDR performance in a wide range of operating conditions. The presented ion removal and selectivity models were developed for the removal of monovalent ions and divalent ions utilizing the dominant dimensionless numbers obtained from laboratory scale electrodialysis experiments. At any system scale, these models can predict ED/EDR performance in terms of monovalent and divalent ion removal.

  15. Theoretical models for supernovae

    Energy Technology Data Exchange (ETDEWEB)

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

    1981-09-21

    The results of recent numerical simulations of supernova explosions are presented and a variety of topics discussed. Particular emphasis is given to (i) the nucleosynthesis expected from intermediate mass (10sub solar less than or equal to M less than or equal to 100 Msub solar) Type II supernovae and detonating white dwarf models for Type I supernovae, (ii) a realistic estimate of the ..gamma..-line fluxes expected from this nucleosynthesis, (iii) the continued evolution, in one and two dimensions, of intermediate mass stars wherein iron core collapse does not lead to a strong, mass-ejecting shock wave, and (iv) the evolution and explosion of vary massive stars (M greater than or equal to 100 Msub solar of both Population I and III. In one dimension, nuclear burning following a failed core bounce does not appear likely to lead to a supernova explosion although, in two dimensions, a combination of rotation and nuclear burning may do so. Near solar proportions of elements from neon to calcium and very brilliant optical displays may be created by hypernovae, the explosions of stars in the mass range 100 M/sub solar/ to 300 M/sub solar/. Above approx. 300 M/sub solar/ a black hole is created by stellar collapse following carbon ignition. Still more massive stars may be copious producers of /sup 4/He and /sup 14/N prior to their collapse on the pair instability.

  16. Field theoretical Lie symmetry analysis: The Möbius group, exact solutions of conformal autonomous systems, and predictive model-building

    Science.gov (United States)

    Christodoulides, Kyriakos

    2014-07-01

    We study single and coupled first-order differential equations (ODEs) that admit symmetries with tangent vector fields, which satisfy the N-dimensional Cauchy-Riemann equations. In the two-dimensional case, classes of first-order ODEs which are invariant under Möbius transformations are explored. In the N dimensional case we outline a symmetry analysis method for constructing exact solutions for conformal autonomous systems. A very important aspect of this work is that we propose to extend the traditional technical usage of Lie groups to one that could provide testable predictions and guidelines for model-building and model-validation. The Lie symmetries in this paper are constrained and classified by field theoretical considerations and their phenomenological implications. Our results indicate that conformal transformations are appropriate for elucidating a variety of linear and nonlinear systems which could be used for, or inspire, future applications. The presentation is pragmatic and it is addressed to a wide audience.

  17. 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.

  18. 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.

  19. Social Impact, a Theoretical Model

    Directory of Open Access Journals (Sweden)

    Jenny Onyx

    2014-01-01

    Full Text Available This paper constructs a theoretical model of social impact as it applies to civil society organisations. It does so by drawing on the recent literature on the topic as well as recently completed empirical studies. First, the relationship between impact and evaluation is examined. This is followed by an exploration of the capitals, notably social, human, and cultural capital and their interrelationships, as a theoretical base for the explication of social impact. A formal model of social impact is then identified together with a set of basic principles that may be said to define social impact. Finally the implications of the model are discussed for social policy and organisational management.

  20. Elastic anisotropy of layered rocks: Ultrasonic measurements of plagioclase-biotite-muscovite (sillimanite) gneiss versus texture-based theoretical predictions (effective media modeling)

    Science.gov (United States)

    Ivankina, T. I.; Zel, I. Yu.; Lokajicek, T.; Kern, H.; Lobanov, K. V.; Zharikov, A. V.

    2017-08-01

    In this paper we present experimental and theoretical studies on a highly anisotropic layered rock sample characterized by alternating layers of biotite and muscovite (retrogressed from sillimanite) and plagioclase and quartz, respectively. We applied two different experimental methods to determine seismic anisotropy at pressures up to 400 MPa: (1) measurement of P- and S-wave phase velocities on a cube in three foliation-related orthogonal directions and (2) measurement of P-wave group velocities on a sphere in 132 directions The combination of the spatial distribution of P-wave velocities on the sphere (converted to phase velocities) with S-wave velocities of three orthogonal structural directions on the cube made it possible to calculate the bulk elastic moduli of the anisotropic rock sample. On the basis of the crystallographic preferred orientations (CPOs) of major minerals obtained by time-of-flight neutron diffraction, effective media modeling was performed using different inclusion methods and averaging procedures. The implementation of a nonlinear approximation of the P-wave velocity-pressure relation was applied to estimate the mineral matrix properties and the orientation distribution of microcracks. Comparison of theoretical calculations of elastic properties of the mineral matrix with those derived from the nonlinear approximation showed discrepancies in elastic moduli and P-wave velocities of about 10%. The observed discrepancies between the effective media modeling and ultrasonic velocity data are a consequence of the inhomogeneous structure of the sample and inability to perform long-wave approximation. Furthermore, small differences between elastic moduli predicted by the different theoretical models, including specific fabric characteristics such as crystallographic texture, grain shape and layering were observed. It is shown that the bulk elastic anisotropy of the sample is basically controlled by the CPO of biotite and muscovite and their volume

  1. 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.

  2. Theoretical Explanation of Return Predictability Based on Stock Price Formulation

    Institute of Scientific and Technical Information of China (English)

    Guo Lei; Wu Chongfeng; Wang Xinrong

    2006-01-01

    To find out which factors determine stock return and to give rational explanation of return predictability, according to the principle of stock price formulation, the trend of stock price is obtained by use of option pricing method. The trend of stock price is put into reconstructing CAPM (capital asset pricing model) beta; it is concluded that the firm-specific biases and the scale biases potentially induce return predictability. In addition, through the relation between the biases structure and the intrinsic value, an appropriate theoretic explanation is supplied for three-factor pricing model proposed by Fama and French.

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

    Science.gov (United States)

    The mode of toxic action (MoA) has been recognized as a key determinant of chemical toxicity but MoA classification in aquatic toxicology has been limited. We developed a Bayesian network model to classify aquatic toxicity mode of action using a recently published dataset contain...

  4. Prediction of Continental Shelf Sediment Transport Using a Theoretical Model of the Wave-Current Boundary Layer.

    Science.gov (United States)

    1987-08-01

    and Rocky Geyer. Paul Dragos was a very patient tutor on the computer. Vincent Lyne had good insight into the model when I was first learning how it...Schwab for being mostly not sane; to David Rudd for the cartoons; to Paul Thogersen for the key to his house in Boston, no advance notice needed; to...can be increased by biological adhesion of sediment grains (Nowell, Jumars, and Eckman , 1981; Grant, Boyer and Sanford, 1982) or electrochemical

  5. Error Estimates of Theoretical Models: a Guide

    CERN Document Server

    Dobaczewski, J; Reinhard, P -G

    2014-01-01

    This guide offers suggestions/insights on uncertainty quantification of nuclear structure models. We discuss a simple approach to statistical error estimates, strategies to assess systematic errors, and show how to uncover inter-dependencies by correlation analysis. The basic concepts are illustrated through simple examples. By providing theoretical error bars on predicted quantities and using statistical methods to study correlations between observables, theory can significantly enhance the feedback between experiment and nuclear modeling.

  6. 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.

  7. Accurate theoretical prediction on positron lifetime of bulk materials

    CERN Document Server

    Zhang, Wenshuai; Liu, Jiandang; Ye, Bangjiao

    2015-01-01

    Based on the first-principles calculations, we perform an initiatory statistical assessment on the reliability level of theoretical positron lifetime of bulk material. We found the original generalized gradient approximation (GGA) form of the enhancement factor and correlation potentials overestimates the effect of the gradient factor. Furthermore, an excellent agreement between model and data with the difference being the noise level of the data is found in this work. In addition, we suggest a new GGA form of the correlation scheme which gives the best performance. This work demonstrates that a brand-new reliability level is achieved for the theoretical prediction on positron lifetime of bulk material and the accuracy of the best theoretical scheme can be independent on the type of materials.

  8. 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)

  9. Does safety climate predict safety performance in Italy and the USA? Cross-cultural validation of a theoretical model of safety climate.

    Science.gov (United States)

    Barbaranelli, Claudio; Petitta, Laura; Probst, Tahira M

    2015-04-01

    Previous studies have acknowledged the relevance of assessing the measurement equivalence of safety related measures across different groups, and demonstrating whether the existence of disparities in safety perceptions might impair direct group comparisons. The Griffin and Neal (2000) model of safety climate, and the accompanying measure (Neal et al. [NGH], 2000), are both widely cited and utilized. Yet neither the model in its entirety nor the measure have been previously validated across different national contexts. The current study is the first to examine the NGH measurement equivalence by testing whether their model of safety climate predicting safety performance is tenable in both English speaking and non-English speaking countries. The study involved 616 employees from 21 organizations in the US, and 738 employees from 20 organizations in Italy. A multi-group confirmatory factor analytic approach was used to assess the equivalence of the measures across the two countries. Similarly, the structural model of relations among the NGH variables was examined in order to demonstrate its cross-country invariance. Results substantially support strict invariance across groups for the NGH safety scales. Moreover, the invariance across countries is also demonstrated for the effects of safety climate on safety knowledge and motivation, which in turn positively relate to both compliance and participation. Our findings have relevant theoretical implications by establishing measurement and relational equivalence of the NGH model. Practical implications are discussed for managers and practitioners dealing with multi-national organizational contexts. Future research should continue to investigate potential differences in safety related perceptions across additional non-English speaking countries.

  10. Theoretical Models of Generalized Quasispecies.

    Science.gov (United States)

    Wagner, Nathaniel; Atsmon-Raz, Yoav; Ashkenasy, Gonen

    2016-01-01

    Theoretical modeling of quasispecies has progressed in several directions. In this chapter, we review the works of Emmanuel Tannenbaum, who, together with Eugene Shakhnovich at Harvard University and later with colleagues and students at Ben-Gurion University in Beersheva, implemented one of the more useful approaches, by progressively setting up various formulations for the quasispecies model and solving them analytically. Our review will focus on these papers that have explored new models, assumed the relevant mathematical approximations, and proceeded to analytically solve for the steady-state solutions and run stochastic simulations . When applicable, these models were related to real-life problems and situations, including changing environments, presence of chemical mutagens, evolution of cancer and tumor cells , mutations in Escherichia coli, stem cells , chromosomal instability (CIN), propagation of antibiotic drug resistance , dynamics of bacteria with plasmids , DNA proofreading mechanisms, and more.

  11. Improper hydrogen bonded cyclohexane C-Hax···Yax contacts: theoretical predictions and experimental evidence from 1H NMR spectroscopy of suitable axial cyclohexane models.

    Science.gov (United States)

    Kolocouris, Antonios; Zervos, Nikolaos; De Proft, Frank; Koch, Andreas

    2011-06-03

    C-H(ax)···Y(ax) contacts are a textbook prototype of steric hindrance in organic chemistry. The nature of these contacts is investigated in this work. MP2/6-31+G(d,p) calculations predicted the presence of improper hydrogen bonded C-H(ax)···Y(ax) contacts of different strength in substituted cyclohexane rings. To support the theoretical predictions with experimental evidence, several synthetic 2-substituted adamantane analogues (1-24) with suitable improper H-bonded C-H(ax)···Y(ax) contacts of different strength were used as models of a substituted cyclohexane ring. The (1)H NMR signal separation, Δδ(γ-CH(2)), within the cyclohexane ring γ-CH(2)s is raised when the MP2/6-31+G(d,p) calculated parameters, reflecting the strength of the H-bonded C-H(ax)···Y(ax) contact, are increased. In molecules with enhanced improper H-bonded contacts C-H(ax)···Y(ax), like those having sterically crowded contacts (Y(ax) = t-Bu) or contacts including considerable electrostatic attractions (Y(ax) = O-C or O═C) the calculated DFT steric energies of the γ-axial hydrogens are considerably reduced reflecting their electron cloud compression. The results suggest that the proton H(ax) electron cloud compression, caused by the C-H(ax)···Y(ax) contacts, and the resulting increase in Δδ(γ-CH(2)) value can be effected not just from van der Waals spheres compression, but more generally from electrostatic attraction forces and van der Waals repulsion, both of which are improper H-bonding components.

  12. 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.

  13. Theoretical predictions for vehicular headways and their clusters

    CERN Document Server

    Krbalek, Milan

    2012-01-01

    This article 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 [Physica A 333 (2004) 370]) we firstly derive the time-clearance distribution in the model. Consecutively, the statistical distributions for the so-called time multi-clearances are calculated by means of theory of functional convolutions. Moreover, all the theoretical surmises used during the above-mentioned calculations are proved by the statistical analysis of traffic data. The mathematical predictions acquired in this paper are thoroughly compared with relevant empirical quantities and viewed in the context of traffic theory.

  14. 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.

  15. Theoretical bases analysis of scientific prediction on marketing principles

    Directory of Open Access Journals (Sweden)

    A.S. Rosohata

    2012-06-01

    Full Text Available 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.

  16. The puzzling theoretical predictions for the luminosity of clumping He burning stars

    CERN Document Server

    Castellani, V; Girardi, L; Marconi, M; Moroni, P G P; Weiss, A

    1999-01-01

    This paper deals with theoretical predictions for He burning models in a range of masses covering the so-called Red Giant Branch phase transition. Taking as a guideline the observational constraints given by Hipparcos parallaxes to the predicted luminosity of models originated from Red Giant progenitors with He core undergoing electron degeneracy, we compare models by various authors as recently appeared in the literature, disclosing sensitive differences in the predicted luminosity. The solidity of these theoretical predictions is investigated by exploring the effects of varying the assumptions about the efficiency of core overshooting or the amount of mass loss, giving quantitative estimates of the related uncertainties. However, one finds that theoretical predictions concerning the luminosity of the red giant clump in the Hipparcos sample is scarcely affected by these mechanisms.A comparison among theoretical predictions as recently given by different authors convincingly demonstrates that the different lu...

  17. Theoretical model of ``fuzz'' growth

    Science.gov (United States)

    Krasheninnikov, Sergei; Smirnov, Roman

    2012-10-01

    Recent more detailed experiments on tungsten irradiation with low energy helium plasma, relevant to the near-wall plasma conditions in magnetic fusion reactor like ITER, demonstrated (e.g. see Ref. 1) a very dramatic change in both surface morphology and near surface material structure of the samples. In particular, it was shown that a long (mm-scale) and thin (nm-scale) fiber-like structures filled with nano-bubbles, so-called ``fuzz,'' start to grow. In this work theoretical model of ``fuzz'' growth [2] describing the main features observed in experiments is presented. This model, based on the assumption of enhancement of creep of tungsten containing significant fraction of helium atoms and clusters. The results of the MD simulations [3] support this idea and demonstrate a strong reduction of the yield strength for all temperature range. They also show that the ``flow'' of tungsten strongly facilitates coagulation of helium clusters and the formation of nano-bubbles.[4pt] [1] M. J. Baldwin, et al., J. Nucl. Mater. 390-391 (2009) 885;[0pt] [2] S. I. Krasheninnikov, Physica Scripta T145 (2011) 014040;[0pt] [3] R. D. Smirnov and S. I. Krasheninnikov, submitted to J. Nucl. Materials.

  18. A Set Theoretical Approach to Maturity Models

    DEFF Research Database (Denmark)

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

    2016-01-01

    Maturity Model research in IS has been criticized for the lack of theoretical grounding, methodological rigor, empirical validations, and ignorance of multiple and non-linear paths to maturity. To address these criticisms, this paper proposes a novel set-theoretical approach to maturity models ch...

  19. Unified Hybrid Network Theoretical Model Trilogy

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The first of the unified hybrid network theoretical model trilogy (UHNTF) is the harmonious unification hybrid preferential model (HUHPM), seen in the inner loop of Fig. 1, the unified hybrid ratio is defined.

  20. Electron microscopy and theoretical modeling of cochleates.

    Science.gov (United States)

    Nagarsekar, Kalpa; Ashtikar, Mukul; Thamm, Jana; Steiniger, Frank; Schacher, Felix; Fahr, Alfred; May, Sylvio

    2014-11-11

    Cochleates are self-assembled cylindrical condensates that consist of large rolled-up lipid bilayer sheets and represent a novel platform for oral and systemic delivery of therapeutically active medicinal agents. With few preceding investigations, the physical basis of cochleate formation has remained largely unexplored. We address the structure and stability of cochleates in a combined experimental/theoretical approach. Employing different electron microscopy methods, we provide evidence for cochleates consisting of phosphatidylserine and calcium to be hollow tubelike structures with a well-defined constant lamellar repeat distance and statistically varying inner and outer radii. To rationalize the relation between inner and outer radii, we propose a theoretical model. Based on the minimization of a phenomenological free energy expression containing a bending, adhesion, and frustration contribution, we predict the optimal tube dimensions of a cochleate and estimate ratios of material constants for cochleates consisting of phosphatidylserines with varied hydrocarbon chain structures. Knowing and understanding these ratios will ultimately benefit the successful formulation of cochleates for drug delivery applications.

  1. Theoretical Models for Orthogonal Cutting

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo

    This review of simple models for orthogonal cutting was extracted from: “L. De Chiffre: Metal Cutting Mechanics and Applications, D.Sc. Thesis, Technical University of Denmark, 1990.”......This review of simple models for orthogonal cutting was extracted from: “L. De Chiffre: Metal Cutting Mechanics and Applications, D.Sc. Thesis, Technical University of Denmark, 1990.”...

  2. Theoretical Models for Orthogonal Cutting

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo

    This review of simple models for orthogonal cutting was extracted from: “L. De Chiffre: Metal Cutting Mechanics and Applications, D.Sc. Thesis, Technical University of Denmark, 1990.”......This review of simple models for orthogonal cutting was extracted from: “L. De Chiffre: Metal Cutting Mechanics and Applications, D.Sc. Thesis, Technical University of Denmark, 1990.”...

  3. 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....

  4. Theoretical model of digital archives

    Directory of Open Access Journals (Sweden)

    Alenka Kavčič-Čolić

    2004-01-01

    Full Text Available There are certain conditions that national organizations should fulfill to became trusted digital repositories. Among other things, their deposit system should be in compliance with the reference model for an Open Archival Information System (OAIS. In this paper the model OAIS is presented as well as some important international experiences regarding its implementation. The joint project of the National and University Library and The Jozef Stefan Institute, which is aimed at developing such a digital archive based on OAIS, is also mentioned.

  5. 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

    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. 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. 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. 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.

  6. 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.

  7. Theoretical modeling of electromagnetically imploded plasma liners

    Energy Technology Data Exchange (ETDEWEB)

    Roderick, N.F.; Kohn, B.J.; McCullough, W.F.; Beason, C.W.; Lupo, J.A.; Letterio, J.D. (Air Force Weapons Lab., Kirtland AFB, NM (USA)); Kloc, D.A. (Air Force Academy, CO (USA)); Hussey, T.W. (Sandia National Labs., Albuquerque, NM (USA))

    1983-05-01

    The generation of high-energy-density plasmas by the electromagnetic implosion of cylindrical foils is explored analytically and through numerical simulation. Theoretical investigations have been performed for a variety of foil initial conditions for both capacitive and inductive pulsed power systems. The development of the theoretical modeling techniques is presented, covering both circuit models and plasma load models. Results from a series of configurations are given, showing the development of modelling techniques used to study the dynamics of the plasma implosion process and the role of instabilities. Interaction between analytic techniques and detailed numerical simulation has led to improvement in all theoretical modeling techniques presently used to study the implosion process. Comparisons of implosion times, shell structure, instability growth rates, and thermalization times have shown good agreement between analytic/heuristic techniques and more detailed two dimensional magnetohydrodynamic simulations. These in turn have provided excellent agreement with experimental results for both capacitor and inductor pulse power systems.

  8. Information-Theoretic Perspectives on Geophysical Models

    Science.gov (United States)

    Nearing, Grey

    2016-04-01

    metrics) (Csiszár, 1972). Fundamentally, models can only translate existing information - they cannot create information. That is, all of the information about any future (or otherwise unobserved event) is contained in the initial and boundary conditions of whatever model we will use to predict that phenomena (Gong et al., 2013). A model simply tells us how to process the available information in a way that is as close to isomorphic with how the system itself processes information. As such, models can only lose or corrupt information because at best a model can only perfectly extract all information contained in its input data; this is a theorem called the Data Processing Inequality (Cover and Thomas, 1991), and this perspective represents a purely ontological treatment of information in models. In practice, however, models provide information to scientists about how to translate information, and in this epistemic sense, models can provide positive quantities of information. During engineering-type efforts, where our goal is fundamentally to make predictions, we would measure the (possibly positive) net epistemic information from some hypothesized model relative to some uninformative prior, or relative to some competing model(s), to measure how much information we gain by running the model (Nearing and Gupta, 2015). True science-focused efforts, however, where the intent is learning rather than prediction, cannot rely on this type of comparative hypothesis testing. We therefore encourage scientists to take the first perspective outlined above and to attempt to measure the ontological information that is lost by their models, rather than the epistemological information that is gained from their models. This represents a radical departure from how scientists usually approach the problem of model evaluation. It turns out that it is possible to approximate the latter objective in practice. We are aware of no existing efforts to this effect in either the philosophy or

  9. Modeling business processes: theoretical and practical aspects

    Directory of Open Access Journals (Sweden)

    V.V. Dubininа

    2015-06-01

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

  10. Advances in theoretical models of network science

    Institute of Scientific and Technical Information of China (English)

    FANG Jin-qing; BI Qiao; LI Yong

    2007-01-01

    In this review article, we will summarize the main advances in network science investigated by the CIAE Group of Complex Network in this field. Several theoretical models of network science were proposed and their topological and dynamical properties are reviewed and compared with the other models. Our models mainly include a harmonious unifying hybrid preferential model, a large unifying hybrid network model, a quantum interference network, a hexagonal nanowire network, and a small-world network with the same degree. The models above reveal some new phenomena and findings, which are useful for deeply understanding and investigating complex networks and their applications.

  11. Wind power prediction models

    Science.gov (United States)

    Levy, R.; Mcginness, H.

    1976-01-01

    Investigations were performed to predict the power available from the wind at the Goldstone, California, antenna site complex. The background for power prediction was derived from a statistical evaluation of available wind speed data records at this location and at nearby locations similarly situated within the Mojave desert. In addition to a model for power prediction over relatively long periods of time, an interim simulation model that produces sample wind speeds is described. The interim model furnishes uncorrelated sample speeds at hourly intervals that reproduce the statistical wind distribution at Goldstone. A stochastic simulation model to provide speed samples representative of both the statistical speed distributions and correlations is also discussed.

  12. A theoretical model of multielectrode DBR lasers

    DEFF Research Database (Denmark)

    Pan, Xing; Olesen, Henning; Tromborg, Bjarne

    1988-01-01

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

  13. Some Model Theoretic Remarks on Bass Modules

    Directory of Open Access Journals (Sweden)

    E. Momtahan

    2011-09-01

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

  14. Hybrid quantum teleportation: A theoretical model

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-12-04

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

  15. [Holism in theoretical models of nursing].

    Science.gov (United States)

    Neto, D L; da Nóbrega, M M

    1999-01-01

    In this bibliographical analysis, we present the classification of nine theoretical nursing models which frame holistic thinking according to the school of thought of Human Needs, Interaction and Outcome. It further describes the definition of holism, health, client and nursing in the holistic conception, with the objective of portraying holism in the theoretical references of nursing: The Ambiental Theory of Nightingale, the Interpersonal Theory of Peplau, the Philosophical Theory of Hall, The Theory of Basics Principals of Henderson, the Theory of Self Care of Orem, the Prescriptive Theory of Wiedenbach, the Theory of Basic Needs of Horta, the Theory of Adaptation of Roy and the Theory of Holism of Levine.

  16. Theoretical model of smooth disk operation

    Energy Technology Data Exchange (ETDEWEB)

    Krauze, K.

    1985-02-01

    Aes a theoretical model is analyzed for coal cutting by disk cutters mounted on a helical cutting drum of a shearer loader. The model is based on the assumption that failure of coal cohesion is caused by crushing and separation of coal grains from a coal face and that coal cutting resistance depends on its contact strength as well as cutting depth and cutting angle. 1 reference.

  17. Teacher Efficacy in Student Engagement, Instructional Management, Student Stressors, and Burnout: A Theoretical Model Using In-Class Variables to Predict Teachers' Intent-to-Leave

    Science.gov (United States)

    Martin, Nancy K.; Sass, Daniel A.; Schmitt, Thomas A.

    2012-01-01

    The models presented here posit a complex relationship between efficacy in student engagement and intent-to-leave that is mediated by in-class variables of instructional management, student behavior stressors, aspects of burnout, and job satisfaction. Using data collected from 631 teachers, analyses provided support for the two models that…

  18. Modelling in Accounting. Theoretical and Practical Dimensions

    Directory of Open Access Journals (Sweden)

    Teresa Szot-Gabryś

    2010-10-01

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

  19. 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 ...

  20. Theoretical Model of Steel Continuous Casting Technology

    Institute of Scientific and Technical Information of China (English)

    C Gheorghies; I Crudu; C Teletin; C Spanu

    2009-01-01

    A theoretical model adapted for studying steel continuous casting technology was proposed.The model based on system theory contained input/output,command,and control parameters.The process was divided into five stages,i.e.,tundish,mold,guiding system,guiding-drawing system,and guiding-drawing-soft reduction system.The model can be used to describe the physicoehemical processes,thermal processes,chemical processes,and characteristics of the cast material according to the above-mentioned stages.It can also be applied to other metallurgical technologies and even to other industries (chemistry,food,etc.).

  1. Numerical modelling of corrosion - Theoretical backgrounds -

    Energy Technology Data Exchange (ETDEWEB)

    Warkus, J.; Raupach, M. [ibac, RWTH Aachen (Germany); Gulikers, J. [Ministry of Transport, Rijkswaterstaat, Bouwdienst, Utrecht (Netherlands)

    2006-08-15

    During recent years research projects with different approaches have been carried out to develop models which are suitable to assess the metal removal rate in case of reinforcement corrosion. Some of them are based on empirical methods and correlate the corrosion rate to parameters like concrete resistivity, temperature and relative humidity. Another type of model is based on a quantification of the ongoing electrochemical processes. In this paper the theoretical backgrounds and mathematical descriptions of reinforcement corrosion with regard to a numerical modelling are presented and discussed. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  2. Theoretical prediction and impact of fundamental electric dipole moments

    Science.gov (United States)

    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(1016 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. 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

  4. 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

  5. Theoretical aspects of spatial-temporal modeling

    CERN Document Server

    Matsui, Tomoko

    2015-01-01

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

  6. Predictive models in urology.

    Science.gov (United States)

    Cestari, Andrea

    2013-01-01

    Predictive modeling is emerging as an important knowledge-based technology in healthcare. The interest in the use of predictive modeling reflects advances on different fronts such as the availability of health information from increasingly complex databases and electronic health records, a better understanding of causal or statistical predictors of health, disease processes and multifactorial models of ill-health and developments in nonlinear computer models using artificial intelligence or neural networks. These new computer-based forms of modeling are increasingly able to establish technical credibility in clinical contexts. The current state of knowledge is still quite young in understanding the likely future direction of how this so-called 'machine intelligence' will evolve and therefore how current relatively sophisticated predictive models will evolve in response to improvements in technology, which is advancing along a wide front. Predictive models in urology are gaining progressive popularity not only for academic and scientific purposes but also into the clinical practice with the introduction of several nomograms dealing with the main fields of onco-urology.

  7. A theoretical model of metal surface reactions

    Energy Technology Data Exchange (ETDEWEB)

    Shustorovich, E. (Eastman Kodak Co., Rochester, NY); Baetzold, R.C.; Muetterties, E.L.

    1983-03-31

    Metal surface reactions are modeled with a novel theoretical construct in which periodic trends can be scrutinized. The theoretical model is succinctly presented and a conspectus of periodic trends, based on the model, is explored. Periodic trends are discussed in the contexts of chemisorption bond energies, electron transfer between metal surface and adsorbate, stereochemical features of chemisorption states for closed-shell diatomic and linear X-CN or X-NC molecules, and hydrocarbon reactions. Hydrocarbon C-H bond-breaking processes are analyzed in terms of d-level occupancy, electron transfer, and stereochemistry of intermediates. Conceptually and computationally, the metal surface is characterized as a good electron donor: antibonding molecular orbitals of the adsorbate species appear to be significant contributors to the chemisorption bond and also play a decisive role in bond-breaking processes. No aspect of the model projections is inconsistent with the experimental data although the electronic characterization of some chemisorption states are counter to commonly held perceptions.

  8. The Theoretical Prediction for the Muon Anomalous Magnetic Moment

    Science.gov (United States)

    Davier, Michel; Marciano, William J.

    2004-12-01

    This article reviews the standard-model prediction for the anomalous magnetic moment of the muon and describes recent updates of QED, electroweak, and hadronic contributions. Comparison of theory and experiment suggests a 2.4 difference if e+e hadrons data are used to evaluate the main hadronic effects, but a smaller discrepancy if hadronic decay data are employed. Implications of a deviation for "new physics" contributions, along with an outlook for future improvements in theory and experiment, are briefly discussed.

  9. A Theoretical Model of Water and Trade

    Science.gov (United States)

    Dang, Q.; Konar, M.; Reimer, J.; Di Baldassarre, G.; Lin, X.; Zeng, R.

    2015-12-01

    Water is an essential factor of agricultural production. Agriculture, in turn, is globalized through the trade of food commodities. In this paper, we develop a theoretical model of a small open economy that explicitly incorporates water resources. The model emphasizes three tradeoffs involving water decision-making that are important yet not always considered within the existing literature. One tradeoff focuses on competition for water among different sectors when there is a shock to one of the sectors only, such as trade liberalization and consequent higher demand for the product. A second tradeoff concerns the possibility that there may or may not be substitutes for water, such as increased use of sophisticated irrigation technology as a means to increase crop output in the absence of higher water availability. A third tradeoff explores the possibility that the rest of the world can be a source of supply or demand for a country's water-using products. A number of propositions are proven. For example, while trade liberalization tends to increase water use, increased pressure on water supplies can be moderated by way of a tax that is derivable with observable economic phenomena. Another example is that increased riskiness of water availability tends to cause water users to use less water than would be the case under profit maximization. These theoretical model results generate hypotheses that can be tested empirically in future work.

  10. MODEL PREDICTIVE CONTROL FUNDAMENTALS

    African Journals Online (AJOL)

    2012-07-02

    Jul 2, 2012 ... paper, we will present an introduction to the theory and application of MPC with Matlab codes written to ... model predictive control, linear systems, discrete-time systems, ... and then compute very rapidly for this open-loop con-.

  11. A field theoretical prediction of the tropical cyclone properties

    CERN Document Server

    Spineanu, Florin

    2013-01-01

    The large scale atmospheric vortices (tropical cyclones, tornadoes) are complex physical systems combining thermodynamics and fluid-mechanical processes. The late phase of the evolution towards stationarity consists of the vorticity concentration, a well known tendency to self-organization, an universal property of the two-dimensional fluids. It may then be expected that the stationary state of the tropical cyclone has the same nature as the vortices of many other systems in nature: ideal (Euler) fluids, superconductors, Bose - Einsetin condensate, cosmic strings, etc. Indeed it was found that there is a description of the atmospheric vortex in terms of a field theory. It is compatible with the more conventional treatment based on conservation laws, but the field theoretical model reveals properties that are almost inaccessible to the conventional formulation: it identifies the stationary states as being close to self-duality. This is of highest importance: the self-duality is known to be the origin of all co...

  12. Corporate prediction models, ratios or regression analysis?

    NARCIS (Netherlands)

    Bijnen, E.J.; Wijn, M.F.C.M.

    1994-01-01

    The models developed in the literature with respect to the prediction of a company s failure are based on ratios. It has been shown before that these models should be rejected on theoretical grounds. Our study of industrial companies in the Netherlands shows that the ratios which are used in

  13. Theoretical Models of the Galactic Bulge

    Science.gov (United States)

    Shen, Juntai; Li, Zhao-Yu

    Near infrared images from the COBE satellite presented the first clear evidence that our Milky Way galaxy contains a boxy shaped bulge. Recent years have witnessed a gradual paradigm shift in the formation and evolution of the Galactic bulge. Bulges were commonly believed to form in the dynamical violence of galaxy mergers. However, it has become increasingly clear that the main body of the Milky Way bulge is not a classical bulge made by previous major mergers, instead it appears to be a bar seen somewhat end-on. The Milky Way bar can form naturally from a precursor disc and thicken vertically by the internal firehose/buckling instability, giving rise to the boxy appearance. This picture is supported by many lines of evidence, including the asymmetric parallelogram shape, the strong cylindrical rotation (i.e., nearly constant rotation regardless of the height above the disc plane), the existence of an intriguing X-shaped structure in the bulge, and perhaps the metallicity gradients. We review the major theoretical models and techniques to understand the Milky Way bulge. Despite the progresses in recent theoretical attempts, a complete bulge formation model that explains the full kinematics and metallicity distribution is still not fully understood. Upcoming large surveys are expected to shed new light on the formation history of the Galactic bulge.

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

    CERN Document Server

    Idzi, R; Papovich, C; Ferguson, H C; Giavalisco, M; Kretchmer, C; Lotz, J; 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 semi-analytic model based on the Cold Dark Matter theory of hierarchical structure formation. We use a sample of B_{435}-dropouts from the Great Observatories Origins Deep Survey, and complement the ACS optical B_{435}, V_{606}, i_{775}, and z_{850} data with the VLT ISAAC J, H, and K_{s} observations. We extract B_{435}-dropouts from our semi-analytic mock catalog using the same color criteria and magnitude limits that were applied to the observed sample. We find that the i_{775} - K_{s} colors of the model-derived and observed B_{435}-dropouts are in good agreement. However, we find that the i_{775}-z_{850} colors differ significantly, indicating perhaps that either too little dust or an incorrect extinction curve have 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 ag...

  15. Revisiting Theoretical Predictions of the Motion and Direction of FTE's

    Science.gov (United States)

    Collado-Vega, Y. M.; Sibeck, D. G.

    2011-01-01

    Flux Transfer Events (FTEs) are magnetopause signatures that result from the passage of flux ropes produced by transient bursts of reconnection. They exhibit bipolar signatures in the component of the magnetic field normal to the magnetopause and transient increases or crater-like structures in the magnetic field strength. We use the bipolar magnetic field signatures and magnetic field strength variations observed by all four Cluster spacecrafts during the years of 2002 and 2003 to determine the velocity and direction fof FTE motion for comparison with predictions for the motion of FTEs generated by the component and anti-parallel reconnection models.

  16. Theoretical analysis and modeling for nanoelectronics

    Science.gov (United States)

    Baccarani, Giorgio; Gnani, Elena; Gnudi, Antonio; Reggiani, Susanna

    2016-11-01

    In this paper we review the evolution of Microelectronics and its transformation into Nanoelectronics, following the predictions of Moore's law, and some of the issues related with this evolution. Next, we discuss the requirements of device modeling and the solutions proposed throughout the years to address the physical effects related with an extreme device miniaturization, such as hot-electron effects, band splitting into multiple sub-bands, quasi-ballistic transport and electron tunneling. The most important physical models are shortly highlighted, and a few simulation results of heterojunction TFETs are reported and discussed.

  17. 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.

  18. Nominal model predictive control

    OpenAIRE

    Grüne, Lars

    2013-01-01

    5 p., to appear in Encyclopedia of Systems and Control, Tariq Samad, John Baillieul (eds.); International audience; Model Predictive Control is a controller design method which synthesizes a sampled data feedback controller from the iterative solution of open loop optimal control problems.We describe the basic functionality of MPC controllers, their properties regarding feasibility, stability and performance and the assumptions needed in order to rigorously ensure these properties in a nomina...

  19. Nominal Model Predictive Control

    OpenAIRE

    Grüne, Lars

    2014-01-01

    5 p., to appear in Encyclopedia of Systems and Control, Tariq Samad, John Baillieul (eds.); International audience; Model Predictive Control is a controller design method which synthesizes a sampled data feedback controller from the iterative solution of open loop optimal control problems.We describe the basic functionality of MPC controllers, their properties regarding feasibility, stability and performance and the assumptions needed in order to rigorously ensure these properties in a nomina...

  20. Accuracy Analysis of a Box-wing Theoretical SRP Model

    Science.gov (United States)

    Wang, Xiaoya; Hu, Xiaogong; Zhao, Qunhe; Guo, Rui

    2016-07-01

    For Beidou satellite navigation system (BDS) a high accuracy SRP model is necessary for high precise applications especially with Global BDS establishment in future. The BDS accuracy for broadcast ephemeris need be improved. So, a box-wing theoretical SRP model with fine structure and adding conical shadow factor of earth and moon were established. We verified this SRP model by the GPS Block IIF satellites. The calculation was done with the data of PRN 1, 24, 25, 27 satellites. The results show that the physical SRP model for POD and forecast for GPS IIF satellite has higher accuracy with respect to Bern empirical model. The 3D-RMS of orbit is about 20 centimeters. The POD accuracy for both models is similar but the prediction accuracy with the physical SRP model is more than doubled. We tested 1-day 3-day and 7-day orbit prediction. The longer is the prediction arc length, the more significant is the improvement. The orbit prediction accuracy with the physical SRP model for 1-day, 3-day and 7-day arc length are 0.4m, 2.0m, 10.0m respectively. But they are 0.9m, 5.5m and 30m with Bern empirical model respectively. We apply this means to the BDS and give out a SRP model for Beidou satellites. Then we test and verify the model with Beidou data of one month only for test. Initial results show the model is good but needs more data for verification and improvement. The orbit residual RMS is similar to that with our empirical force model which only estimate the force for along track, across track direction and y-bias. But the orbit overlap and SLR observation evaluation show some improvement. The remaining empirical force is reduced significantly for present Beidou constellation.

  1. Candidate Prediction Models and Methods

    DEFF Research Database (Denmark)

    Nielsen, Henrik Aalborg; Nielsen, Torben Skov; Madsen, Henrik

    2005-01-01

    This document lists candidate prediction models for Work Package 3 (WP3) of the PSO-project called ``Intelligent wind power prediction systems'' (FU4101). The main focus is on the models transforming numerical weather predictions into predictions of power production. The document also outlines...... the possibilities w.r.t. different numerical weather predictions actually available to the project....

  2. A generalized theoretical model for "continuous particle separation in a microchannel having asymmetrically arranged multiple branches"

    DEFF Research Database (Denmark)

    Andersen, Karsten Brandt; Levinsen, Simon; Svendsen, Winnie Edith;

    2009-01-01

    In this article we present a generalized theoretical model for the continuous separation of particles using the pinched flow fractionation method. So far the theoretical models have not been able to predict the separation of particles without the use of correction factors. In this article we pres...

  3. Theoretical model of a photoelectrochemical solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, S.; Singh, S.L.; Khare, N.

    1986-03-01

    A Schottky barrier theoretical model for explaining the J-V characteristic of a photoelectrochemical solar cell (PESC) has been developed considering the effect of dark current, space-charge recombination, surface states, and detailed charge transfer kinetics at the interface. Both isoenergetic charge transfer and inelastic charge transfers (via surface states) at the interface have been considered and their relative importance are discussed. The theory has been applied to explain the (a) J-V characteristic for n-GaAs/SeS , SeS 2 junction and (b) Fermi-level pinning observed in GaAs PESC. The inelastic charge transfer via surfaces states has been shown to play an important role in deciding these characteristics.

  4. Theoretical analysis of tablet hardness prediction using chemoinformetric near-infrared spectroscopy.

    Science.gov (United States)

    Tanabe, Hideaki; Otsuka, Kuniko; Otsuka, Makoto

    2007-07-01

    In order to clarify the theoretical basis of the variability in the measurement of tablet hardness by compression pressure, NIR spectroscopic methods were used to predict tablet hardness of the formulations. Tablets (200 mg, 8 mm in diameter) consisting of berberine chloride, lactose, and potato starch were formed at various compression pressures (59, 78, 98, 127, 195 MPa). The hardness and the distribution of micropores were measured. The reflectance NIR spectra of various compressed tablets were used as a calibration set to establish a calibration model to predict tablet hardness by principal component regression (PCR) analysis. The distribution of micropores was shifted to a smaller pore size with increasing compression pressure. The total pore volume of tablets decreased as the compression pressure increased. The hardness increased as the compression pressure increased. The hardness could be predicted using a calibration model consisting of 7 principal components (PCs) obtained by PCR. The relationship between the predicted and the actual hardness values exhibited a straight line, an R(2) of 0.925. In order to understand the theoretical analysis (scientific background) of calibration models used to evaluate tablet hardness, the standard error of cross validation (SEV) values, the loading vectors of each PC and the regression vector were investigated. The result obtained with the calibration models for hardness suggested that the regression vector might involve physical and chemical factors. In contrast, the porosity could be predicted using a calibration model composed of 2 PCs. The relationship between the predicted and the actual total pore volume showed a straight line with R(2) = 0.801. The regression vector of the total pore volume might be due to physical factors.

  5. Predictive Surface Complexation Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, Dimitri A. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Earth and Planetary Sciences

    2016-11-29

    Surface complexation plays an important role in the equilibria and kinetics of processes controlling the compositions of soilwaters and groundwaters, the fate of contaminants in groundwaters, and the subsurface storage of CO2 and nuclear waste. Over the last several decades, many dozens of individual experimental studies have addressed aspects of surface complexation that have contributed to an increased understanding of its role in natural systems. However, there has been no previous attempt to develop a model of surface complexation that can be used to link all the experimental studies in order to place them on a predictive basis. Overall, my research has successfully integrated the results of the work of many experimentalists published over several decades. For the first time in studies of the geochemistry of the mineral-water interface, a practical predictive capability for modeling has become available. The predictive correlations developed in my research now enable extrapolations of experimental studies to provide estimates of surface chemistry for systems not yet studied experimentally and for natural and anthropogenically perturbed systems.

  6. The truncation of stellar discs A theoretical model

    CERN Document Server

    Battaner, E; Jiménez-Vicente, J

    1998-01-01

    The truncation of stellar discs is not abrupt but characterized by a continuous distancing from the exponential profile. There exists a truncation curve, $t(r)$, ending at a truncation radius, $r_t$. We present here a theoretical model in which it is assumed that the magnetic hypothesis explaining the flat rotation curve also explains the truncation. Once stars are born, the centripetal magnetic force previously acting on the progenitor gas cloud is suddenly interrupted, and stars must move to larger orbits or escape. The agreement between theoretical and observed truncation curves is very satisfactory. Parameters defining the disc gas rotation curve should therefore be related to those defining the truncation. It is predicted that rotation curves that quickly reach the asymptotic value $\\theta_0 = \\theta (r=\\infty)$ would have small truncation radii. On the contrary, $r_t$ and $\\theta_0$ itself, would be uncorrelated quantities.

  7. Effectiveness of Peer Education Involving the use of Theoretical Models

    OpenAIRE

    2008-01-01

    The effectiveness of health education among university students who received peer-support training was investigated using four theoretical models : the health belief model, the self-efficacy model, social support and the transtheoretical model of health behavior change. Results suggested that the four theoretical models were useful in evaluating the effect of peer education as an alternative assessment tool. In light of this, it is suggested that the use of the theoretical models may facilita...

  8. Theoretical prediction of interference loading on aircraft stores: Part I - Subsonic speeds

    Science.gov (United States)

    Fox, C. H., Jr.; Fernandes, F.

    1973-01-01

    Computer program is developed for theoretically predicting loading on pylon-mounted stores in subsonic compressible flow. Linear theory predicts flow field produced by aircraft wing, nose, inlet, and pylons. Program was written in FORTRAN IV for CDC 6000 computer.

  9. A Modified Theoretical Model of Intrinsic Hardness of Crystalline Solids

    Science.gov (United States)

    Dai, Fu-Zhi; Zhou, Yanchun

    2016-01-01

    Super-hard materials have been extensively investigated due to their practical importance in numerous industrial applications. To stimulate the design and exploration of new super-hard materials, microscopic models that elucidate the fundamental factors controlling hardness are desirable. The present work modified the theoretical model of intrinsic hardness proposed by Gao. In the modification, we emphasize the critical role of appropriately decomposing a crystal to pseudo-binary crystals, which should be carried out based on the valence electron population of each bond. After modification, the model becomes self-consistent and predicts well the hardness values of many crystals, including crystals composed of complex chemical bonds. The modified model provides fundamental insights into the nature of hardness, which can facilitate the quest for intrinsic super-hard materials. PMID:27604165

  10. A Modified Theoretical Model of Intrinsic Hardness of Crystalline Solids

    Science.gov (United States)

    Dai, Fu-Zhi; Zhou, Yanchun

    2016-09-01

    Super-hard materials have been extensively investigated due to their practical importance in numerous industrial applications. To stimulate the design and exploration of new super-hard materials, microscopic models that elucidate the fundamental factors controlling hardness are desirable. The present work modified the theoretical model of intrinsic hardness proposed by Gao. In the modification, we emphasize the critical role of appropriately decomposing a crystal to pseudo-binary crystals, which should be carried out based on the valence electron population of each bond. After modification, the model becomes self-consistent and predicts well the hardness values of many crystals, including crystals composed of complex chemical bonds. The modified model provides fundamental insights into the nature of hardness, which can facilitate the quest for intrinsic super-hard materials.

  11. A Modified Theoretical Model of Intrinsic Hardness of Crystalline Solids.

    Science.gov (United States)

    Dai, Fu-Zhi; Zhou, Yanchun

    2016-09-08

    Super-hard materials have been extensively investigated due to their practical importance in numerous industrial applications. To stimulate the design and exploration of new super-hard materials, microscopic models that elucidate the fundamental factors controlling hardness are desirable. The present work modified the theoretical model of intrinsic hardness proposed by Gao. In the modification, we emphasize the critical role of appropriately decomposing a crystal to pseudo-binary crystals, which should be carried out based on the valence electron population of each bond. After modification, the model becomes self-consistent and predicts well the hardness values of many crystals, including crystals composed of complex chemical bonds. The modified model provides fundamental insights into the nature of hardness, which can facilitate the quest for intrinsic super-hard materials.

  12. Theoretical prediction for several important equilibrium Ge isotope fractionation factors

    Science.gov (United States)

    Tang, M.; Li, X.; Liu, Y.

    2008-12-01

    As a newly emerging field, the stable isotope geochemistry of germanium (Ge) needs basic equilibrium fractionation factors to explore its unknown world. In this study, the Ge isotope fractionations between systems including the aqueous Ge(OH)4 and GeO(OH)3- which are the dominant Ge species in seawater, the Ge-bearing organic complexes (e.g. Ge-catechol, Ge-oxalic acid and Ge-citric acid), the quartz- (or opal- ), albite-, K-feldspar- and olivine- like mineral structures are studied. It is the first time that some geologically important equilibrium Ge isotope fractionation factors are reported. Surprisingly, up to 5 per mil large isotopic fractionations between these Ge isotope systems are found at 25 degree. These results suggest a potentially broad application for the Ge isotope geochemistry. Our theoretical calculations are based on the Urey model (or Bigeleisen-Mayer equation) and high level quantum chemistry calculations. The B3LYP/6-311+G(d,p) level quantum chemistry method and the explicit solvent model ("water droplet" method) are used. Many different conformers are also used for the aqueous complexes in order to reduce the possible errors coming from the differences of configurations in solution. The accuracy of our calculation of the Ge isotopic fractionations is estimated about 0.2 per mil. Our results show quartz-like or opal-like structure can enrich most heavy Ge isotopes. Relative to quartz (or opal), some Ge isotopic fractionations are (at 25 C): quartz-organic Ge = 4-5,quartz-Ge(OH)4 =0.9,quartz-GeO(OH)3- =1.5,quartz-albite=0.6,quartz-K-feldspar=0.4 and quartz-olivine=3.9 per mil. The large fractionations between inorganic Ge complexes and organic Ge ones could be used to distinguish the possible bio-involving processes. Our results suggest a good explanation to the experimental observations of Siebert et al. (2006) and Rouxel et al. (2006) and provide important constraints to the study of Ge cycle in ocean.

  13. Improved models for the prediction of activity coefficients in nearly athermal mixtures .2. A theoretically-based G(E)-model based on the van der Waals partition function

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Georgios, Nikolopoulos; Fredenslund, Aage

    1997-01-01

    of the generalized van der Waals partition function and attempts to account for all non-energetic effects of solutions of both short- and long-chain alkanes, including alkane polymers. Both the free-volume effects and the density-dependent rotational degrees of freedom are considered. The resulting G(E)-model which......, despite its derivation from a partition function resembles the Flory-Huggins formula, is suitable for vapor-liquid and solid-liquid equilibrium calculations for nearly athermal polymer solutions as well as for alkane systems. We show that using plausible assumptions for the free-volume and the external......-degree-of-freedom parameter, very good predictions are obtained for activity coefficients of asymmetric alkane systems at both concentration ends, for solid-liquid equilibrium calculations, as well as in extreme cases (polymer solutions, activity coefficients of heavy model alkane polymers in short-chain compounds recently...

  14. Candidate Prediction Models and Methods

    DEFF Research Database (Denmark)

    Nielsen, Henrik Aalborg; Nielsen, Torben Skov; Madsen, Henrik

    2005-01-01

    This document lists candidate prediction models for Work Package 3 (WP3) of the PSO-project called ``Intelligent wind power prediction systems'' (FU4101). The main focus is on the models transforming numerical weather predictions into predictions of power production. The document also outlines...

  15. Aircraft Noise Prediction Program theoretical manual: Propeller aerodynamics and noise

    Science.gov (United States)

    Zorumski, W. E. (Editor); Weir, D. S. (Editor)

    1986-01-01

    The prediction sequence used in the aircraft noise prediction program (ANOPP) is described. The elements of the sequence are called program modules. The first group of modules analyzes the propeller geometry, the aerodynamics, including both potential and boundary-layer flow, the propeller performance, and the surface loading distribution. This group of modules is based entirely on aerodynamic strip theory. The next group of modules deals with the first group. Predictions of periodic thickness and loading noise are determined with time-domain methods. Broadband noise is predicted by a semiempirical method. Near-field predictions of fuselage surface pressrues include the effects of boundary layer refraction and scattering. Far-field predictions include atmospheric and ground effects.

  16. Melanoma risk prediction models

    Directory of Open Access Journals (Sweden)

    Nikolić Jelena

    2014-01-01

    Full Text Available Background/Aim. The lack of effective therapy for advanced stages of melanoma emphasizes the importance of preventive measures and screenings of population at risk. Identifying individuals at high risk should allow targeted screenings and follow-up involving those who would benefit most. The aim of this study was to identify most significant factors for melanoma prediction in our population and to create prognostic models for identification and differentiation of individuals at risk. Methods. This case-control study included 697 participants (341 patients and 356 controls that underwent extensive interview and skin examination in order to check risk factors for melanoma. Pairwise univariate statistical comparison was used for the coarse selection of the most significant risk factors. These factors were fed into logistic regression (LR and alternating decision trees (ADT prognostic models that were assessed for their usefulness in identification of patients at risk to develop melanoma. Validation of the LR model was done by Hosmer and Lemeshow test, whereas the ADT was validated by 10-fold cross-validation. The achieved sensitivity, specificity, accuracy and AUC for both models were calculated. The melanoma risk score (MRS based on the outcome of the LR model was presented. Results. The LR model showed that the following risk factors were associated with melanoma: sunbeds (OR = 4.018; 95% CI 1.724- 9.366 for those that sometimes used sunbeds, solar damage of the skin (OR = 8.274; 95% CI 2.661-25.730 for those with severe solar damage, hair color (OR = 3.222; 95% CI 1.984-5.231 for light brown/blond hair, the number of common naevi (over 100 naevi had OR = 3.57; 95% CI 1.427-8.931, the number of dysplastic naevi (from 1 to 10 dysplastic naevi OR was 2.672; 95% CI 1.572-4.540; for more than 10 naevi OR was 6.487; 95%; CI 1.993-21.119, Fitzpatricks phototype and the presence of congenital naevi. Red hair, phototype I and large congenital naevi were

  17. How prayer heals: a theoretical model.

    Science.gov (United States)

    Levin, J S

    1996-01-01

    This article presents a theoretical model that outlines various possible explanations for the healing effects of prayer. Four classes of mechanisms are defined on the basis of whether healing has naturalistic or supernatural origins and whether it operates locally or nonlocally. Through this framework, most of the currently proposed hypotheses for understanding absent healing and other related phenomena-hypotheses that invoke such concepts as subtle energy, psi, consciousness, morphic fields, and extended mind-are shown to be no less naturalistic than the Newtonian, mechanistic forces of allopathic biomedicine so often derided for their materialism. In proposing that prayer may heal through nonlocal means according to mechanisms and theories proposed by the new physics, Dossey is almost alone among medical scholars in suggesting the possible limitations and inadequacies of hypotheses based on energies, forces, and fields. Yet even such nonlocal effects can be conceived of as naturalistic; that is, they are explained by physical laws that may be unbelievable or unfamiliar to most physicians but that are nonetheless becoming recognized as operant laws of the natural universe. The concept of the supernatural, however, is something altogether different, and is, by definition, outside of or beyond nature. Herein may reside an either wholly or partly transcendent Creator-God who is believed by many to heal through means that transcend the laws of the created universe, both its local and nonlocal elements, and that are thus inherently inaccessible to and unknowable by science. Such an explanation for the effects of prayer merits consideration and, despite its unprovability by medical science, should not be dismissed out of hand.

  18. The flow of a thin liquid film on a stationary and rotating disk. II - Theoretical prediction

    Science.gov (United States)

    Rahman, M. M.; Faghri, A.; Hankey, W. L.

    1990-01-01

    The existing theoretical models are improved and a systematic procedure to compute the free surface flow of a thin liquid film is suggested. The solutions for axisymmetric radial flow on a stationary horizontal disk and for the disk rotating around its axis are presented. The theoretical predictions are compared with the experimental data presented in Part I of this report. The analysis shows results for both supercritical and subcritical flows and the flow structure in the vicinity of a hydraulic jump which isolates these two flow types. The detailed flow structure in a hydraulic jump was computed and shown to contain regions of separation including a 'surface roller'. The effects of surface tension are found to be important near the outer edge of the disk where the fluid experiences a free fall. At other locations, the surface tension is negligible. For a rotating disk, the frictional resistance in the angular direction is found to be as important as that in the radial direction.

  19. Development of a code system DEURACS for theoretical analysis and prediction of deuteron-induced reactions

    Directory of Open Access Journals (Sweden)

    Nakayama Shinsuke

    2017-01-01

    Full Text Available We have developed an integrated code system dedicated for theoretical analysis and prediction of deuteron-induced reactions, which is called DEUteron-induced Reaction Analysis Code System (DEURACS. DEURACS consists of several calculation codes based on theoretical models to describe respective reaction mechanisms and it was successfully applied to (d,xp and (d,xn reactions. In the present work, the analysis of (d,xn reactions is extended to higher incident energy up to nearly 100 MeV and also DEURACS is applied to (d,xd reactions at 80 and 100 MeV. The DEURACS calculations reproduce the experimental double-differential cross sections for the (d,xn and (d,xd reactions well.

  20. Development of a code system DEURACS for theoretical analysis and prediction of deuteron-induced reactions

    Science.gov (United States)

    Nakayama, Shinsuke; Kouno, Hiroshi; Watanabe, Yukinobu; Iwamoto, Osamu; Ye, Tao; Ogata, Kazuyuki

    2017-09-01

    We have developed an integrated code system dedicated for theoretical analysis and prediction of deuteron-induced reactions, which is called DEUteron-induced Reaction Analysis Code System (DEURACS). DEURACS consists of several calculation codes based on theoretical models to describe respective reaction mechanisms and it was successfully applied to (d,xp) and (d,xn) reactions. In the present work, the analysis of (d,xn) reactions is extended to higher incident energy up to nearly 100 MeV and also DEURACS is applied to (d,xd) reactions at 80 and 100 MeV. The DEURACS calculations reproduce the experimental double-differential cross sections for the (d,xn) and (d,xd) reactions well.

  1. Raman Model Predicting Hardness of Covalent Crystals

    OpenAIRE

    Zhou, Xiang-Feng; Qian, Quang-Rui; Sun, Jian; Tian, Yongjun; Wang, Hui-Tian

    2009-01-01

    Based on the fact that both hardness and vibrational Raman spectrum depend on the intrinsic property of chemical bonds, we propose a new theoretical model for predicting hardness of a covalent crystal. The quantitative relationship between hardness and vibrational Raman frequencies deduced from the typical zincblende covalent crystals is validated to be also applicable for the complex multicomponent crystals. This model enables us to nondestructively and indirectly characterize the hardness o...

  2. Validation of theoretical models through measured pavement response

    DEFF Research Database (Denmark)

    Ullidtz, Per

    1999-01-01

    performance. The analytical models are based on a number of simplifications with respect to reality and must be verified experimentally.Different pressure gauges were installed in a sand, assumed to be a semi-infinite halfspace. The surface of the sand was loaded by a Falling Weight Deflectometer (FWD......) at different lateral positions with respect to the gauges. An integration of the stresses measured at the plane of the gauges showed that the total load recorded by the gauges was close to the loade imposed by the FWD, cofirming the reliability of the gauges. The theoretical stress calculated using continuum...... then used to derive the elastic parameters of the pavement layeres, that would produce deflections matching the measured deflections. Stresses and strains were then calculated at the position of the gauges and compared to the measured values. It was found that all analytical models would predict the tensile...

  3. Adaptive evolution: evaluating empirical support for theoretical predictions.

    Science.gov (United States)

    Olson-Manning, Carrie F; Wagner, Maggie R; Mitchell-Olds, Thomas

    2012-12-01

    Adaptive evolution is shaped by the interaction of population genetics, natural selection and underlying network and biochemical constraints. Variation created by mutation, the raw material for evolutionary change, is translated into phenotypes by flux through metabolic pathways and by the topography and dynamics of molecular networks. Finally, the retention of genetic variation and the efficacy of selection depend on population genetics and demographic history. Emergent high-throughput experimental methods and sequencing technologies allow us to gather more evidence and to move beyond the theory in different systems and populations. Here we review the extent to which recent evidence supports long-established theoretical principles of adaptation.

  4. Naturalness of unknown physics: Theoretical models and experimental signatures

    Science.gov (United States)

    Kilic, Can

    In the last few decades collider experiments have not only spectacularly confirmed the predictions of the Standard Model but also have not revealed any direct evidence for new physics beyond the SM, which has led theorists to devise numerous models where the new physics couples weakly to the SM or is simply beyond the reach of past experiments. While phenomenologically viable, many such models appear finely tuned, even contrived. This work illustrates three attempts at coming up with explanations to fine-tunings we observe in the world around us, such as the gauge hierarchy problem or the cosmological constant problem, emphasizing both the theoretical aspects of model building as well as possible experimental signatures. First we investigate the "Little Higgs" mechanism and work on a specifical model, the "Minimal Moose" to highlight its impact on precision observables in the SM, and illustrate that it does not require implausible fine-tuning. Next we build a supersymmetric model, the "Fat Higgs", with an extended gauge structure which becomes confining. This model, aside from naturally preserving the unification of the SM gauge couplings at high energies, also makes it possible to evade the bounds on the lightest Higgs boson mass which are quite restrictive in minimal SUSY scenarios. Lastly we take a look at a possible resolution of the cosmological constant problem through the mechanism of "Ghost Condensation" and dwell on astrophysical observables from the Lorentz Violating sector in this model. We use current experimental data to constrain the coupling of this sector to the SM.

  5. Use of an intense microwave laser to dissociate a diatomic molecule: Theoretical prediction of dissociation dynamics

    Indian Academy of Sciences (India)

    Amita Wadehra; B M Deb

    2012-01-01

    By employing an intense microwave laser of wavelength 116.65 m with intensities 1 × 1013 and 5 × 1018Wcm−2, respectively, the conclusion is reached theoretically and computationally that it is possible to dissociate the CO molecule, modelled as a Morse oscillator. It is predicted that for above-threshold dissociation (ATD), the molecule should absorb 1044 photons of the given wavelength in order to reach the lowest edge of the vibrational continuum. A consistent analysis of the predicted dissociation process is provided though the time-dependent probability density, dissociation probability, norm, potential function, HHG and ATD spectra, obtained by numerically solving the time-dependent vibrational Schödinger equation.

  6. Artifacts resulting from imaging in scattering media: a theoretical prediction.

    Science.gov (United States)

    Rohrbach, Alexander

    2009-10-01

    Scattering of illumination light from a laser is a severe problem especially when imaging in thick media. Although this effect occurs in nearly every imaging process, it can be well perceived and analyzed in configurations where the optical axes for illumination and detection are perpendicular to each other. In this paper I present a theoretical perspective of how to extend the point-spread function arithmetic from ideal imaging to realistic imaging including ghost images. These ghost images are generated by scattered light and are low-correlated with the ideal image. Numerical simulations of the propagation of four different types of illumination beams through a cluster of spheres illustrate the effects of inhomogeneous object illumination. Clear differences between a conventional plane-wave illumination, a static light-sheet, and a laterally scanned Gaussian beam, but also relative to a scanned Bessel beam, can be observed.

  7. Theoretical prediction of side branch compromise after main branch stenting in coronary bifurcation

    Institute of Scientific and Technical Information of China (English)

    Dobrin Vassilev; Robert Gil

    2008-01-01

    One of the main problems of treatment of bifurcation lesions is side branch (SB) stenosis appearing after stent placement in the main vessel.The aim of this study was to create quantitative method for prediction of side branch compromise extent.We accepted that the main mechanism for SB ostial stenosis is flow divider (FD) displacement from stent struts after stent implantation in the main vessel.Using easily measurable parameters from coronary angiography,as SB diameter,angle α (initial angle between axes of parent vessel and SB axis) and angle α' (angle between above mentioned axes after stent placement) we can calculate percentage diameter stenosis at branch ostium (%DS):%DS = sin (α - α')/(tan α).In boundary condition of full FD displacement %DS = cos α.We tested our theoretical predictions with fluoroscopic observation of elastic wall model of bifurcation (45°distal angle between branches)permitting wall deformations with stent.There is full coincidence of values of %DS and percentage area stenosis (%AS).The regular formulas for calculations of %DS and %AS overestimate stenosis severity between 10% and 25%.Our model tests have shown full coincidence between predicted values for %DS and observed values.We demonstrate that part of the SB ostium is not visible in regular angiography and contributes to ostial lumen area.This is a method that permits quantitative prediction of side branch compromise.

  8. Estimation-theoretic approach to delayed decoding of predictively encoded video sequences.

    Science.gov (United States)

    Han, Jingning; Melkote, Vinay; Rose, Kenneth

    2013-03-01

    Current video coders employ predictive coding with motion compensation to exploit temporal redundancies in the signal. In particular, blocks along a motion trajectory are modeled as an auto-regressive (AR) process, and it is generally assumed that the prediction errors are temporally independent and approximate the innovations of this process. Thus, zero-delay encoding and decoding is considered efficient. This paper is premised on the largely ignored fact that these prediction errors are, in fact, temporally dependent due to quantization effects in the prediction loop. It presents an estimation-theoretic delayed decoding scheme, which exploits information from future frames to improve the reconstruction quality of the current frame. In contrast to the standard decoder that reproduces every block instantaneously once the corresponding quantization indices of residues are available, the proposed delayed decoder efficiently combines all accessible (including any future) information in an appropriately derived probability density function, to obtain the optimal delayed reconstruction per transform coefficient. Experiments demonstrate significant gains over the standard decoder. Requisite information about the source AR model is estimated in a spatio-temporally adaptive manner from a bit-stream conforming to the H.264/AVC standard, i.e., no side information needs to be sent to the decoder in order to employ the proposed approach, thereby compatibility with the standard syntax and existing encoders is retained.

  9. Theoretical and experimental FUZZY modelling of building thermal dynamic response

    Energy Technology Data Exchange (ETDEWEB)

    Skrjanc, Igor; Zupancic, Borut [Ljubljana Univ., Faculty of Electrical Engineering, Ljubljana (Slovenia); Furlan, Bostjan; Krainer, Ales [Ljubljana Univ., Faculty of Civil Engineering, Ljubljana (Slovenia)

    2001-11-01

    In this paper this main advantages and disadvantages of two different types of modelling: theoretical and experimental are presented and discussed. The theoretical modelling is based on energy balances, which gives the overall model described by differential equations. On the basis of developed theoretical model a complex simulator in the MATLAB-Simulink environment was implemented. The second part is devoted to experimental modelling. In this paper a fuzzy model represented by non-linear relations between input and output variables obtained by least-squares optimisation method is investigated. (Author)

  10. A theoretical model of atmospheric ozone depletion

    Science.gov (United States)

    Midya, S. K.; Jana, P. K.; Lahiri, T.

    1994-01-01

    A critical study on different ozone depletion and formation processes has been made and following important results are obtained: (i) From analysis it is shown that O3 concentration will decrease very minutely with time for normal atmosphere when [O], [O2] and UV-radiation remain constant. (ii) An empirical equation is established theoretically between the variation of ozone concentration and time. (iii) Special ozone depletion processes are responsible for the dramatic decrease of O3-concentration at Antarctica.

  11. High Tc Superconductor Theoretical Models and Electromagnetic Flux Characteristics

    Institute of Scientific and Technical Information of China (English)

    JIN Jian-xun

    2006-01-01

    High Tc Superconductors (HTS) have special electromagnetic characteristics and phenomena. Effort has been made in order to theoretically understand the applied HTS superconductivity and HTS behaviors for practical applications, various theoretical models related to the HTS electromagnetic properties have been developed. The theoretical models and analytic methods are summarized with regard to understanding the HTS magnetic flux characteristic which is one of the most critical issues related to HTS applications such as for HTS magnetic levitation application.

  12. 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.

  13. Comparisons of Theoretical Methods for Predicting Airfoil Aerodynamic Characteristics

    Science.gov (United States)

    2010-08-01

    Reynolds numbers tested, by properly-sized zig - zag turbulator tape. Both the grit roughness and the turbulator tape were employed to simulate full-chord...models were produced from solid aluminum using a numerically-controlled milling machine. Each model has approximately 33 pressure orifices on the

  14. Theoretical predictions of novel potassium chloride phases under pressure.

    Science.gov (United States)

    Shamp, Andrew; Saitta, Patrick; Zurek, Eva

    2015-05-14

    Evolutionary structure searches predict two hitherto unknown phases of KCl that are the most stable in the pressure regime of 200-600 GPa. I41/amd-KCl, which has the lowest enthalpy between ∼200-350 GPa, can be thought of as being composed of two three-connected nets. This structure can be compared with that of the Cs-IV electride (Cs(+)e(-)): the potassium ions assume the positions of the cesium ions, and the chloride ions are found roughly in the regions of the valence electrons. Above ∼350 GPa a Pnma phase, which is isotypic with phases of CsH and CsI that are stable under pressure, becomes preferred. Just as in Pnma-CsI, the atoms in Pnma-KCl assume an hcp-like lattice; these alkali halides resemble the high-pressure structures of the isoelectronic noble gas solids Xe and Ar, respectively. The equation of state of KCl is extended to 600 GPa, enabling the use of this alkali halide as a pressure guage in ultra-high pressure static compression experiments. KCl is predicted to remain insulating to at least 420 GPa.

  15. Theoretical Approach to Predict the Performance of Thermoelectric Generator Modules

    Science.gov (United States)

    Elarusi, Abdulmunaem H.; Fagehi, Hassan; Lee, Hosung; Attar, Alaa

    2017-02-01

    The aim of this work was to examine the validity of the thermoelectric modules' performance predicted by formulating the effective thermoelectric material properties. The three maximum parameters (output power, current, and efficiency) are defined in terms of the average temperature of the thermoelectric generator (TEG). These three maximum parameters, which are either taken from commercial TEG modules or measurements for particular operating conditions, are used to define the effective material properties (Seebeck coefficient, thermal conductivity, and electrical resistivity). The commercial performance curves provided by the manufacturer were compared with the results obtained here by the effective material properties with the simple standard thermoelectric equations. It has been found that this technique predicts the performance of four commercial thermoelectric modules with fair to good accuracy. The characteristics of the TEGs were represented using the normalized charts constructed by formulating the parameters as a fraction of over the maximum parameters. The normalized charts would be universal for any given TEG module once the thermoelectric material is known.

  16. Theoretical temperature model with experimental validation for CLIC Accelerating Structures

    CERN Document Server

    AUTHOR|(CDS)2126138; Vamvakas, Alex; Alme, Johan

    Micron level stability of the Compact Linear Collider (CLIC) components is one of the main requirements to meet the luminosity goal for the future $48 \\,km$ long underground linear accelerator. The radio frequency (RF) power used for beam acceleration causes heat generation within the aligned structures, resulting in mechanical movements and structural deformations. A dedicated control of the air- and water- cooling system in the tunnel is therefore crucial to improve alignment accuracy. This thesis investigates the thermo-mechanical behavior of the CLIC Accelerating Structure (AS). In CLIC, the AS must be aligned to a precision of $10\\,\\mu m$. The thesis shows that a relatively simple theoretical model can be used within reasonable accuracy to predict the temperature response of an AS as a function of the applied RF power. During failure scenarios or maintenance interventions, the RF power is turned off resulting in no heat dissipation and decrease in the overall temperature of the components. The theoretica...

  17. Modeling of alkynes: synthesis and theoretical properties

    Directory of Open Access Journals (Sweden)

    Renato Rosseto

    2003-06-01

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

  18. Organizational effectiveness of coalition operations' headquarters : A theoretical model

    NARCIS (Netherlands)

    Vogler-Bisig, E.; Blais, A.R.; Hof, T.; Tresch, T.S.; Seiler, S.; Yanakiev, Y.

    2012-01-01

    Purpose - This article describes a theoretical model that allows understanding, explaining, and measuring the perceived organizational effectiveness of multinational coalition operations' headquarters. Design/methodology/approach - The proposed model is based on subject matter experts' opinions and

  19. Predictive Models for Music

    OpenAIRE

    Paiement, Jean-François; Grandvalet, Yves; Bengio, Samy

    2008-01-01

    Modeling long-term dependencies in time series has proved very difficult to achieve with traditional machine learning methods. This problem occurs when considering music data. In this paper, we introduce generative models for melodies. We decompose melodic modeling into two subtasks. We first propose a rhythm model based on the distributions of distances between subsequences. Then, we define a generative model for melodies given chords and rhythms based on modeling sequences of Narmour featur...

  20. Information-Theoretic Benchmarking of Land Surface Models

    Science.gov (United States)

    Nearing, Grey; Mocko, David; Kumar, Sujay; Peters-Lidard, Christa; Xia, Youlong

    2016-04-01

    Benchmarking is a type of model evaluation that compares model performance against a baseline metric that is derived, typically, from a different existing model. Statistical benchmarking was used to qualitatively show that land surface models do not fully utilize information in boundary conditions [1] several years before Gong et al [2] discovered the particular type of benchmark that makes it possible to *quantify* the amount of information lost by an incorrect or imperfect model structure. This theoretical development laid the foundation for a formal theory of model benchmarking [3]. We here extend that theory to separate uncertainty contributions from the three major components of dynamical systems models [4]: model structures, model parameters, and boundary conditions describe time-dependent details of each prediction scenario. The key to this new development is the use of large-sample [5] data sets that span multiple soil types, climates, and biomes, which allows us to segregate uncertainty due to parameters from the two other sources. The benefit of this approach for uncertainty quantification and segregation is that it does not rely on Bayesian priors (although it is strictly coherent with Bayes' theorem and with probability theory), and therefore the partitioning of uncertainty into different components is *not* dependent on any a priori assumptions. We apply this methodology to assess the information use efficiency of the four land surface models that comprise the North American Land Data Assimilation System (Noah, Mosaic, SAC-SMA, and VIC). Specifically, we looked at the ability of these models to estimate soil moisture and latent heat fluxes. We found that in the case of soil moisture, about 25% of net information loss was from boundary conditions, around 45% was from model parameters, and 30-40% was from the model structures. In the case of latent heat flux, boundary conditions contributed about 50% of net uncertainty, and model structures contributed

  1. Theoretical prediction for the infinite dilution activity coefficients of organic compounds in ionic liquids

    Institute of Scientific and Technical Information of China (English)

    GE MingLan; XIONG JieMing; WANG LiSheng

    2009-01-01

    On the basis of the theoretical linear solvation energy relationship (TLSER) suggested by Wilson et al.and the quantum chemical descriptors computed by AM1 Hamiltonian,a predicting model was developed to characterize the activity coefficients at infinite dilution γi∞ 34 organic solutes in ionic liquids (ILs) 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([BMIM][CF3SO3]) and 1-propyl-2,3-dimethylimidazolium tetrafluoroborate ([PDMIM][BF4]) at 323.15 K.The results showed that the model had an good correlation and could successfully describe γi∞.In addition,correlation parameters are analyzed to understand the interactions that affect infinite dilution activity coefficients.

  2. Isotopic Soret effect in ternary mixtures: Theoretical predictions and molecular simulations

    Energy Technology Data Exchange (ETDEWEB)

    Artola, Pierre-Arnaud, E-mail: pierre-arnaud.artola@u-psud.fr [Laboratoire de Chimie-Physique, Université de Paris-Sud, Orsay (France); Rousseau, Bernard [Laboratoire de Chimie-Physique, CNRS Université de Paris-Sud, Orsay (France)

    2015-11-07

    In this paper, we study the Soret effect in ternary fluid mixtures of isotopic argon like atoms. Soret coefficients have been computed using non-equilibrium molecular dynamics and a theoretical approach based on our extended Prigogine model (with mass effect) and generalized to mixtures with any number of components. As is well known for binary mixture studies, the heaviest component always accumulates on the cold side whereas the lightest species accumulate on the hot side. An interesting behavior is observed for the species with the intermediate mass: it can accumulate on both sides, depending on composition and mass ratios. A simple picture can be given to understand this change of sign: the intermediate mass species can be seen as evolving in an equivalent fluid whose species mass varies with composition. An excellent prediction of all simulated data has been obtained using our model including the change of sign of the Soret coefficient for species with intermediate mass.

  3. What drives long-distance dispersal? A test of theoretical predictions.

    Science.gov (United States)

    Lowe, Winsor H

    2009-06-01

    Long-distance dispersal (LDD) may contribute disproportionately to species persistence in fragmented landscapes, non-native invasions, and range shifts in response to climate change. However, direct data on LDD are extremely limited, leaving us with little understanding of why it occurs. I used six years of mark-recapture data on the stream salamander Gyrinophilus porphyriticus to test theoretical predictions of how variation in habitat quality affects LDD. Frequency of LDD was quantified using the kurtosis of yearly movement distributions from recaptured animals in a 1-km headwater stream. Temporal and spatial variation in habitat quality were quantified with spatially explicit data on the body condition and dispersion of individuals throughout the study stream. Using information-theoretic model selection criteria, I found that LDD increased during periods of low average body condition and low spatial variation in body condition. Consistent with basic theory, my results indicate that temporal variation in habitat quality is critical to initiating dispersal, and that LDD increases when animals must move farther to encounter higher-quality habitat. This suggests that information on how habitat quality varies in time and space can be useful for predicting LDD. More broadly, this study highlights the value of direct data on animal movement for testing dispersal theory.

  4. Spatial Economics Model Predicting Transport Volume

    Directory of Open Access Journals (Sweden)

    Lu Bo

    2016-10-01

    Full Text Available It is extremely important to predict the logistics requirements in a scientific and rational way. However, in recent years, the improvement effect on the prediction method is not very significant and the traditional statistical prediction method has the defects of low precision and poor interpretation of the prediction model, which cannot only guarantee the generalization ability of the prediction model theoretically, but also cannot explain the models effectively. Therefore, in combination with the theories of the spatial economics, industrial economics, and neo-classical economics, taking city of Zhuanghe as the research object, the study identifies the leading industry that can produce a large number of cargoes, and further predicts the static logistics generation of the Zhuanghe and hinterlands. By integrating various factors that can affect the regional logistics requirements, this study established a logistics requirements potential model from the aspect of spatial economic principles, and expanded the way of logistics requirements prediction from the single statistical principles to an new area of special and regional economics.

  5. Study of microbial adhesion on some wood species: theoretical prediction.

    Science.gov (United States)

    Soumya, El abed; Mohamed, Mostakim; Fatimazahra, Berguadi; Hassan, Latrache; Abdellah, Houari; Fatima, Hamadi; Saad, Ibnsouda koraichi

    2011-01-01

    The initial interaction between microorganisms and substrata is mediated by physicochemical forces, which in turn originate from the physicochemical surface properties of both interacting phases. In this context, we have determined the physicochemical proprieties of all microorganisms isolated from cedar wood decay in an old monument at the Medina of Fez-Morocco. The cedar wood was also assayed in terms of hydrophobicity and electron dono-r-electron acceptor (acid-base) properties. Investigations of these two aspects were performed by contact angles measurements via sessile drop technique. Except Bacillus subtilis strain (deltaGiwi 0) and can therefore be considered as hydrophilic while cedar wood revealed a hydrophobic character (deltaGiwi = -58.81 mi m(-2)). All microbial strains were predominantly electron donor. The results show also that all strains were weak electron acceptors. Cedar wood exhibits a weak electron donor/acceptor character. Based on the thermodynamic approach, the Lifshitz-van der Waals interaction free energy, the acid-basic interactions free energy, the total interaction free energy between the microbial cells and six different wood species (cedar, oak, beech, ash, pine and teak) in aqueous media was calculated and used to predict which microbial strains have a higher ability to adhere to wooden surfaces. Except of weak wood, for all the situations studied, generalizations concerning the adhesion of the microbiata on wood species cannot be made and the microbial adhesion on wooden substrata was dependent on wood species and microorganismstested.

  6. Diverse ruthenium nitrides stabilized under pressure: a theoretical prediction

    Science.gov (United States)

    Zhang, Yunkun; Wu, Lailei; Wan, Biao; Lin, Yangzheng; Hu, Qingyang; Zhao, Yan; Gao, Rui; Li, Zhiping; Zhang, Jingwu; Gou, Huiyang

    2016-09-01

    First-principles calculations were performed to understand the structural stability, synthesis routes, mechanical and electronic properties of diverse ruthenium nitrides. RuN with a new I-4m2 symmetry stabilized by pressure is found to be energetically preferred over the experimental NaCl-type and ZnS-type ones. The Pnnm-RuN2 is found to be stable above 1.1 GPa, in agreement with the experimental results. Specifically, new stoichiometries like RuN3 and RuN4 are proposed firstly to be thermodynamically stable, and the dynamical and mechanical stabilities of the newly predicted structures have been verified by checking their phonon spectra and elastic constants. A phase transition from P4/mmm-RuN4 to C2/c-RuN4 is also uncovered at 23.0 GPa. Drawn from bonding and band structure analysis, P4/mmm-RuN4 exhibits semi-metal-like behavior and becomes a semiconductor for the high-pressure C2/c-RuN4 phase. Meanwhile the P21/c-RuN3 shows metallic feature. Highly directional covalent N-N and Ru-N bonds are formed and dominating in N-enriched Ru nitrides, making them promising hard materials.

  7. a Theoretical Model of a Superheated Liquid Droplet Neutron Detector.

    Science.gov (United States)

    Harper, Mark Joseph

    Neutrons can interact with the atoms in superheated liquid droplets which are suspended in a viscous matrix material, resulting in the formation of charged recoil ions. These ions transfer energy to the liquid, sometimes resulting in the droplets vaporizing and producing observable bubbles. Devices employing this mechanism are known as superheated liquid droplet detectors, or bubble detectors. The basis of bubble detector operation is identical to that of bubble chambers, which have been well characterized by researchers such as Wilson, Glaser, Seitz, and others since the 1950's. Each of the microscopic superheated liquid droplets behaves like an independent bubble chamber. This dissertation presents a theoretical model which considers the three principal aspects of detector operation: nuclear reactions, charged particle energy deposition, and thermodynamic bubble formation. All possible nuclear reactions were examined and those which could reasonably result in recoil ions sufficiently energetic to vaporize a droplet were analyzed in detail. Feasible interactions having adequate cross sections include elastic and inelastic scattering, n-proton, and n-alpha reactions. Ziegler's TRansport of Ions in Matter (TRIM) code was used to calculate the ions' stopping powers in various compounds based on the ionic energies predicted by standard scattering distributions. If the ions deposit enough energy in a small enough volume then the entire droplet will vaporize without further energy input. Various theories as to the vaporization of droplets by ionizing radiation were studied and a novel method of predicting the critical (minimum) energy was developed. This method can be used to calculate the minimum required stopping power for the ion, from which the threshold neutron energy is obtainable. Experimental verification of the model was accomplished by measuring the response of two different types of bubble detectors to monoenergetic thermal neutrons, as well as to neutrons

  8. Theoretical model of blood flow measurement by diffuse correlation spectroscopy

    Science.gov (United States)

    Sakadžić, Sava; Boas, David A.; Carp, Stefan

    2017-02-01

    Diffuse correlation spectroscopy (DCS) is a noninvasive method to quantify tissue perfusion from measurements of the intensity temporal autocorrelation function of diffusely scattered light. However, DCS autocorrelation function measurements in tissue better match theoretical predictions based on the diffusive motion of the scatterers than those based on a model where the advective nature of blood flow dominates the stochastic properties of the scattered light. We have recently shown using Monte Carlo (MC) simulations and assuming a simplistic vascular geometry and laminar flow profile that the diffusive nature of the DCS autocorrelation function decay is likely a result of the shear-induced diffusion of the red blood cells. Here, we provide theoretical derivations supporting and generalizing the previous MC results. Based on the theory of diffusing-wave spectroscopy, we derive an expression for the autocorrelation function along the photon path through a vessel that takes into account both diffusive and advective scatterer motion, and we provide the solution for the DCS autocorrelation function in a semi-infinite geometry. We also derive the correlation diffusion and correlation transfer equation, which can be applied for an arbitrary sample geometry. Further, we propose a method to take into account realistic vascular morphology and flow profile.

  9. POSITIVE LEADERSHIP MODELS: THEORETICAL FRAMEWORK AND RESEARCH

    Directory of Open Access Journals (Sweden)

    Javier Blanch, Francisco Gil

    2016-09-01

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

  10. Theoretical predictions for ionization cross sections of DNA nucleobases impacted by light ions

    Energy Technology Data Exchange (ETDEWEB)

    Champion, C; Lekadir, H; Hanssen, J [Laboratoire de Physique Moleculaire et des Collisions, ICPMB (FR CNRS 2843), Institut de Physique, Universite Paul Verlaine-Metz, 1 bd Arago, 57078 Metz Cedex 3 (France); Galassi, M E; Fojon, O; Rivarola, R D, E-mail: champion@univ-metz.f [Instituto de Fisica Rosario, CONICET and Universidad Nacional de Rosario, Avenida Pellegrini 250, 2000 Rosario (Argentina)

    2010-10-21

    Induction of DNA double strand breaks after irradiation is considered of prime importance for producing radio-induced cellular death or injury. However, up to now ion-induced collisions on DNA bases remain essentially experimentally approached and a theoretical model for cross section calculation is still lacking. Under these conditions, we here propose a quantum mechanical description of the ionization process induced by light bare ions on DNA bases. Theoretical predictions in terms of differential and total cross sections for proton, {alpha}-particle and bare ion carbon beams impacting on adenine, cytosine, thymine and guanine bases are then reported in the 10 keV amu{sup -1}-10 MeV amu{sup -1} energy range. The calculations are performed within the first-order Born approximation (FBA) with biological targets described at the restricted Hartree-Fock level with geometry optimization. Comparisons to recent theoretical data for collisions between protons and cytosine point out huge discrepancies in terms of differential as well as total cross sections whereas very good agreement is shown with our previous classical predictions, especially at high impact energies (E{sub i} {>=} 100 keV amu{sup -1}). Finally, in comparison to the rare existing experimental data a systematic underestimation is observed in particular for adenine and thymine whereas a good agreement is reported for cytosine. Thus, further improvements appear as necessary, in particular by using higher order theories like the continuum-distorted-wave one in order to obtain a better understanding of the underlying physics involved in such ion-DNA reactions.

  11. Zephyr - the prediction models

    DEFF Research Database (Denmark)

    Nielsen, Torben Skov; Madsen, Henrik; Nielsen, Henrik Aalborg

    2001-01-01

    This paper briefly describes new models and methods for predicationg the wind power output from wind farms. The system is being developed in a project which has the research organization Risø and the department of Informatics and Mathematical Modelling (IMM) as the modelling team and all the Dani...

  12. s-Process in Low Metallicity Stars. I. Theoretical Predictions

    CERN Document Server

    Bisterzo, S; Straniero, O; Cristallo, S; Kaeppeler, F

    2010-01-01

    A large sample of carbon enhanced metal-poor stars enriched in s-process elements (CEMP-s) have been observed in the Galactic halo. These stars of low mass (M ~ 0.9 Msun) are located on the main-sequence or the red giant phase, and do not undergo third dredge-up (TDU) episodes. The s-process enhancement is most plausibly due to accretion in a binary system from a more massive companion when on the asymptotic giant branch (AGB) phase (now a white dwarf). In order to interpret the spectroscopic observations, updated AGB models are needed to follow in detail the s-process nucleosynthesis. We present nucleosynthesis calculations based on AGB stellar models obtained with FRANEC (Frascati Raphson-Newton Evolutionary Code) for low initial stellar masses and low metallicities. For a given metallicity, a wide spread in the abundances of the s-process elements is obtained by varying the amount of 13C and its profile in the pocket, where the 13C(a, n)16O reaction is the major neutron source, releasing neutrons in radiat...

  13. Drug release from extruded solid lipid matrices: theoretical predictions and independent experiments.

    Science.gov (United States)

    Güres, Sinan; Siepmann, Florence; Siepmann, Juergen; Kleinebudde, Peter

    2012-01-01

    The aim of this study was to use a mechanistically realistic mathematical model based on Fick's second law to quantitatively predict the release profiles from solid lipid extrudates consisting of a ternary matrix. Diprophylline was studied as a freely water-soluble model drug, glycerol tristearate as a matrix former and polyethylene glycol or crospovidone as a pore former (blend ratio: 50:45:5%w/w/w). The choice of these ratios is based on former studies. Strains with a diameter of 0.6, 1, 1.5, 2.7 and 3.5mm were prepared using a twin-screw extruder at 65 °C and cut into cylinders of varying lengths. Drug release in demineralised water was measured using the USP 32 basket apparatus. Based on SEM pictures of extrudates before and after exposure to the release medium as well as on DSC measurements and visual observations, an analytical solution of Fick's second law of diffusion was identified in order to quantify the resulting diprophylline release kinetics from the systems. Fitting the model to one set of experimentally determined diprophylline release kinetics from PEG containing extrudates allowed determining the apparent diffusion coefficient of this drug (or water) in this lipid matrix. Knowing this value, the impact of the dimensions of the cylinders on drug release could be quantitatively predicted. Importantly, these theoretical predictions could be confirmed by independent experimental results. Thus, diffusion is the dominant mass transport mechanism controlling drug release in this type of advanced drug delivery systems. In contrast, theoretical predictions of the impact of the device dimensions in the case of crospovidone containing extrudates significantly underestimated the real diprophylline release rates. This could be attributed to the disintegration of this type of dosage forms when exceeding a specific minimal device diameter. Thus, mathematical modelling can potentially significantly speed up the development of solid lipid extrudates, but care has

  14. Theoretical prediction of the onset of thermoacoustic instability from the experimental transfer matrix of a thermoacoustic core.

    Science.gov (United States)

    Guedra, Matthieu; Penelet, Guillaume; Lotton, Pierrick; Dalmont, Jean-Pierre

    2011-07-01

    The aim of this paper is to propose a method to predict the onset conditions of the thermoacoustic instability for various thermoacoustic engines. As an accurate modeling of the heat exchangers and the stack submitted to a temperature gradient is a difficult task, an experimental approach for the characterization of the amplifying properties of the thermoacoustic core is proposed. An experimental apparatus is presented which allows to measure the transfer matrix of a thermoacoustic core under various heating conditions by means of a four-microphone method. An analytical model for the prediction of the onset conditions from this measured transfer matrix is developed. The experimental data are introduced in the model and theoretical predictions of the onset conditions are compared with those actually observed in standing-wave and traveling-wave engines. The results show good agreement between predictions from the model and experiments.

  15. A Theoretic Model of Transport Logistics Demand

    Directory of Open Access Journals (Sweden)

    Natalija Jolić

    2006-01-01

    Full Text Available Concerning transport logistics as relation between transportand integrated approaches to logistics, some transport and logisticsspecialists consider the tenn tautological. However,transport is one of the components of logistics, along with inventories,resources, warehousing, infonnation and goods handling.Transport logistics considers wider commercial and operationalframeworks within which the flow of goods is plannedand managed. The demand for transport logistics services canbe valorised as highly qualitative, differentiated and derived.While researching transport phenomenon the implementationof models is inevitable and demand models highly desirable. Asa contribution to transport modelling this paper improves decisionmaking and planning in the transport logistics field.

  16. Theoretical Prediction and Experimental Determination of Heating Time During High-Temperature Heat Treatment of Wood

    Directory of Open Access Journals (Sweden)

    LIU Xin-you

    2011-06-01

    Full Text Available Theoretical prediction provides basic understanding and guidance to correctly implement a certaintechnology in the production process. The present study uses a differential equation to predict the heattransfer time between the surface and core layer of wood during the heat treatment, with applicability inestimating the duration of heat treatments at high temperatures. The obtained prediction was compared withthe result of an experimental study performed on Chinese poplar wood with various thicknesses (20, 40 and60mm. During this experiment, the time necessary for the core of wood to reach a temperature of 100°C,130°C and finally 180°C was monitored and the recorded values were compared with the predicted ones.The result of this comparison proved that the experimental values matched the theoretically predicted times,validating thus the applicability of the proposed equation as prediction tool.

  17. A Production Model for Construction: A Theoretical Framework

    Directory of Open Access Journals (Sweden)

    Ricardo Antunes

    2015-03-01

    Full Text Available The building construction industry faces challenges, such as increasing project complexity and scope requirements, but shorter deadlines. Additionally, economic uncertainty and rising business competition with a subsequent decrease in profit margins for the industry demands the development of new approaches to construction management. However, the building construction sector relies on practices based on intuition and experience, overlooking the dynamics of its production system. Furthermore, researchers maintain that the construction industry has no history of the application of mathematical approaches to model and manage production. Much work has been carried out on how manufacturing practices apply to construction projects, mostly lean principles. Nevertheless, there has been little research to understand the fundamental mechanisms of production in construction. This study develops an in-depth literature review to examine the existing knowledge about production models and their characteristics in order to establish a foundation for dynamic production systems management in construction. As a result, a theoretical framework is proposed, which will be instrumental in the future development of mathematical production models aimed at predicting the performance and behaviour of dynamic project-based systems in construction.

  18. Theoretical prediction of the damping of a railway wheel with sandwich-type dampers

    Science.gov (United States)

    Merideno, Inaki; Nieto, Javier; Gil-Negrete, Nere; Giménez Ortiz, José Germán; Landaberea, Aitor; Iartza, Jon

    2014-09-01

    This paper presents a procedure for predicting the damping added to a railway wheel when sandwich-type dampers are installed. Although there are different ways to reduce the noise generated by a railway wheel, most devices are based on the mechanism of increasing wheel damping. This is why modal damping ratios are a clear indicator of the efficiency of the damping device and essential when a vibro-acoustic study of a railway wheel is carried out. Based on a number of output variables extracted from the wheel and damper models, the strategy explained herein provides the final damping ratios of the damped wheel. Several different configurations are designed and experimentally tested. Theoretical and experimental results agree adequately, and it is demonstrated that this procedure is a good tool for qualitative comparison between different solutions in the design stages.

  19. Dark energy observational evidence and theoretical models

    CERN Document Server

    Novosyadlyj, B; Shtanov, Yu; Zhuk, A

    2013-01-01

    The book elucidates the current state of the dark energy problem and presents the results of the authors, who work in this area. It describes the observational evidence for the existence of dark energy, the methods and results of constraining of its parameters, modeling of dark energy by scalar fields, the space-times with extra spatial dimensions, especially Kaluza---Klein models, the braneworld models with a single extra dimension as well as the problems of positive definition of gravitational energy in General Relativity, energy conditions and consequences of their violation in the presence of dark energy. This monograph is intended for science professionals, educators and graduate students, specializing in general relativity, cosmology, field theory and particle physics.

  20. Theoretical Modelling of Intercultural Communication Process

    Directory of Open Access Journals (Sweden)

    Mariia Soter

    2016-08-01

    Full Text Available The definition of the concepts of “communication”, “intercultural communication”, “model of communication” are analyzed in the article. The basic components of the communication process are singled out. The model of intercultural communication is developed. Communicative, behavioral and complex skills for optimal organization of intercultural communication, establishment of productive contact with a foreign partner to achieve mutual understanding, searching for acceptable ways of organizing interaction and cooperation for both communicants are highlighted in the article. It is noted that intercultural communication through interaction between people affects the development of different cultures’ aspects.

  1. SOME THEORETICAL MODELS EXPLAINING ADVERTISING EFFECTS

    Directory of Open Access Journals (Sweden)

    Vasilica Magdalena SOMEŞFĂLEAN

    2014-06-01

    Full Text Available Persuade clients is still the main focus of the companies, using a set of methods and techniques designed to influence their behavior, in order to obtain better results (profits over a longer period of time. Since the late nineteenth - early twentieth century, the american E.St.Elmo Lewis, considered a pioneer in advertising and sales, developed the first theory, AIDA model, later used by marketers and advertisers to develop a marketing communications strategy. Later studies have developed other models that are the main subject of this research, which explains how and why persuasive communication works, to understand why some approaches are effective and others are not.

  2. Confidence scores for prediction models

    DEFF Research Database (Denmark)

    Gerds, Thomas Alexander; van de Wiel, MA

    2011-01-01

    modelling strategy is applied to different training sets. For each modelling strategy we estimate a confidence score based on the same repeated bootstraps. A new decomposition of the expected Brier score is obtained, as well as the estimates of population average confidence scores. The latter can be used...... to distinguish rival prediction models with similar prediction performances. Furthermore, on the subject level a confidence score may provide useful supplementary information for new patients who want to base a medical decision on predicted risk. The ideas are illustrated and discussed using data from cancer...

  3. A Theoretical Model for Selective Exposure Research.

    Science.gov (United States)

    Roloff, Michael E.; Noland, Mark

    This study tests the basic assumptions underlying Fishbein's Model of Attitudes by correlating an individual's selective exposure to types of television programs (situation comedies, family drama, and action/adventure) with the attitudinal similarity between individual attitudes and attitudes characterized on the programs. Twenty-three college…

  4. The development of a theoretical model to investigate factors ...

    African Journals Online (AJOL)

    The development of a theoretical model to investigate factors associated with ... major household appliance market: An integrative conceptual approach. ... disadvantaged consumers gain spending power and access to electricity supply.

  5. Theoretical models in low-Reynolds-number locomotion

    CERN Document Server

    Pak, On Shun

    2014-01-01

    The locomotion of microorganisms in fluids is ubiquitous and plays an important role in numerous biological processes. In this chapter we present an overview of theoretical modeling for low-Reynolds-number locomotion.

  6. Theoretical model for a Stark anomalous dispersion optical filter

    Science.gov (United States)

    Yin, B.; Shay, T. M.

    1993-01-01

    A theoretical model for the first atomic Stark anomalous dispersion optical filter is reported. The results show the filter may serve as a widely tunable narrow bandwidth and high throughput optical filter for freespace laser communications and remote sensing.

  7. A Theoretical Study of Subsurface Drainage Model Simulation of ...

    African Journals Online (AJOL)

    A Theoretical Study of Subsurface Drainage Model Simulation of Drainage Flow and ... of subsurface drain spacing, evapotranspiration and irrigation water quality on ... The study was carried out on a conceptual uniform homogenous irrigated ...

  8. Theoretical Tinnitus framework: A Neurofunctional Model

    Directory of Open Access Journals (Sweden)

    Iman Ghodratitoostani

    2016-08-01

    Full Text Available Subjective tinnitus is the conscious (attended awareness perception of sound in the absence of an external source and can be classified as an auditory phantom perception. The current tinnitus development models depend on the role of external events congruently paired with the causal physical events that precipitate the phantom perception. We propose a novel Neurofunctional tinnitus model to indicate that the conscious perception of phantom sound is essential in activating the cognitive-emotional value. The cognitive-emotional value plays a crucial role in governing attention allocation as well as developing annoyance within tinnitus clinical distress. Structurally, the Neurofunctional tinnitus model includes the peripheral auditory system, the thalamus, the limbic system, brain stem, basal ganglia, striatum and the auditory along with prefrontal cortices. Functionally, we assume the model includes presence of continuous or intermittent abnormal signals at the peripheral auditory system or midbrain auditory paths. Depending on the availability of attentional resources, the signals may or may not be perceived. The cognitive valuation process strengthens the lateral-inhibition and noise canceling mechanisms in the mid-brain, which leads to the cessation of sound perception and renders the signal evaluation irrelevant. However, the sourceless sound is eventually perceived and can be cognitively interpreted as suspicious or an indication of a disease in which the cortical top-down processes weaken the noise canceling effects. This results in an increase in cognitive and emotional negative reactions such as depression and anxiety. The negative or positive cognitive-emotional feedbacks within the top-down approach may have no relation to the previous experience of the patients. They can also be associated with aversive stimuli similar to abnormal neural activity in generating the phantom sound. Cognitive and emotional reactions depend on general

  9. Theoretical Tinnitus Framework: A Neurofunctional Model.

    Science.gov (United States)

    Ghodratitoostani, Iman; Zana, Yossi; Delbem, Alexandre C B; Sani, Siamak S; Ekhtiari, Hamed; Sanchez, Tanit G

    2016-01-01

    Subjective tinnitus is the conscious (attended) awareness perception of sound in the absence of an external source and can be classified as an auditory phantom perception. Earlier literature establishes three distinct states of conscious perception as unattended, attended, and attended awareness conscious perception. The current tinnitus development models depend on the role of external events congruently paired with the causal physical events that precipitate the phantom perception. We propose a novel Neurofunctional Tinnitus Model to indicate that the conscious (attended) awareness perception of phantom sound is essential in activating the cognitive-emotional value. The cognitive-emotional value plays a crucial role in governing attention allocation as well as developing annoyance within tinnitus clinical distress. Structurally, the Neurofunctional Tinnitus Model includes the peripheral auditory system, the thalamus, the limbic system, brainstem, basal ganglia, striatum, and the auditory along with prefrontal cortices. Functionally, we assume the model includes presence of continuous or intermittent abnormal signals at the peripheral auditory system or midbrain auditory paths. Depending on the availability of attentional resources, the signals may or may not be perceived. The cognitive valuation process strengthens the lateral-inhibition and noise canceling mechanisms in the mid-brain, which leads to the cessation of sound perception and renders the signal evaluation irrelevant. However, the "sourceless" sound is eventually perceived and can be cognitively interpreted as suspicious or an indication of a disease in which the cortical top-down processes weaken the noise canceling effects. This results in an increase in cognitive and emotional negative reactions such as depression and anxiety. The negative or positive cognitive-emotional feedbacks within the top-down approach may have no relation to the previous experience of the patients. They can also be

  10. Modelling, controlling, predicting blackouts

    CERN Document Server

    Wang, Chengwei; Baptista, Murilo S

    2016-01-01

    The electric power system is one of the cornerstones of modern society. One of its most serious malfunctions is the blackout, a catastrophic event that may disrupt a substantial portion of the system, playing havoc to human life and causing great economic losses. Thus, understanding the mechanisms leading to blackouts and creating a reliable and resilient power grid has been a major issue, attracting the attention of scientists, engineers and stakeholders. In this paper, we study the blackout problem in power grids by considering a practical phase-oscillator model. This model allows one to simultaneously consider different types of power sources (e.g., traditional AC power plants and renewable power sources connected by DC/AC inverters) and different types of loads (e.g., consumers connected to distribution networks and consumers directly connected to power plants). We propose two new control strategies based on our model, one for traditional power grids, and another one for smart grids. The control strategie...

  11. Photon spectra from final stages of a primordial black hole evaporation in different theoretical models

    CERN Document Server

    Bugaev, Edgar; Petkov, Valery

    2007-01-01

    Possibilities of an experimental search for gamma-ray bursts from primordial black hole (PBH) evaporations in space are reconsidered. It is argued that the corresponding constraints which can be obtained in experiments with cosmic ray detectors strongly depend on theoretical approach used for a description of the PBH evaporation process. Predictions of several theoretical models for gamma-ray spectra from final stages of PBH life (integrated over time) are given.

  12. Choking under pressure: theoretical models and interventions.

    Science.gov (United States)

    Mesagno, Christopher; Beckmann, Juergen

    2017-08-01

    In sport, choking under pressure is a major concern for athletes, coaches and sport psychologists because athletes fail to meet self-imposed performance expectations in critical situations (when it counts the most), which is devastating and embarrassing. Researchers have debated choking under pressure definitions, identified personality characteristics that exacerbate choking outcomes, and examined models to determine mechanisms for choking. Based on these investigations, several interventions to prevent choking have been developed and tested. In this review, we specifically discuss current self-presentation and attention models and theory-driven interventions that help to alleviate choking in order to facilitate the understanding of this complex phenomenon by athletes, sport psychologists and researchers. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. SOME THEORETICAL MODELS EXPLAINING ADVERTISING EFFECTS

    OpenAIRE

    Vasilica Magdalena SOMEŞFĂLEAN

    2014-01-01

    Persuade clients is still the main focus of the companies, using a set of methods and techniques designed to influence their behavior, in order to obtain better results (profits) over a longer period of time. Since the late nineteenth - early twentieth century, the american E.St.Elmo Lewis, considered a pioneer in advertising and sales, developed the first theory, AIDA model, later used by marketers and advertisers to develop a marketing communications strategy. Later studies have developed o...

  14. Theoretical modeling of prion disease incubation

    OpenAIRE

    Kulkarni, R. V.; Slepoy, A.; Singh, R. R. P.; Cox, D. L.; Mobley, D.; Pázmándi, F.

    2001-01-01

    We present a theory for the laboratory and epidemiological data for incubation times in infectious prion diseases. The central feature of our model is that slow growth of misfolded protein-aggregates from small initial seeds controls the `latent' or `lag' phase, whereas aggregate-fissioning and subsequent spreading leads to an exponential growth or doubling phase. Such a general framework can account for many features of prion diseases including the striking reproducibility of incubation time...

  15. A theoretical model of infant incubator dynamics.

    Science.gov (United States)

    Simon, B N; Reddy, N P; Kantak, A

    1994-08-01

    A spatially lumped mathematical model was developed and used for a computer simulation of the neonate-incubator system for parametric analysis of the factors that influence neonatal thermo-regulation. The simulation examined the effects of the following parameters: (1) size of the infant; (2) respiratory rate; (3) metabolic rate; (4) heart rate; (5) thermal properties of the mattress; (6) specific heat capacity of the incubator wall; (7) air flow rate; (8) heater control mechanisms.

  16. Voronoi cell patterns: Theoretical model and applications

    Science.gov (United States)

    González, Diego Luis; Einstein, T. L.

    2011-11-01

    We use a simple fragmentation model to describe the statistical behavior of the Voronoi cell patterns generated by a homogeneous and isotropic set of points in 1D and in 2D. In particular, we are interested in the distribution of sizes of these Voronoi cells. Our model is completely defined by two probability distributions in 1D and again in 2D, the probability to add a new point inside an existing cell and the probability that this new point is at a particular position relative to the preexisting point inside this cell. In 1D the first distribution depends on a single parameter while the second distribution is defined through a fragmentation kernel; in 2D both distributions depend on a single parameter. The fragmentation kernel and the control parameters are closely related to the physical properties of the specific system under study. We use our model to describe the Voronoi cell patterns of several systems. Specifically, we study the island nucleation with irreversible attachment, the 1D car-parking problem, the formation of second-level administrative divisions, and the pattern formed by the Paris Métro stations.

  17. Confronting Substellar Theoretical Models with Stellar Ages

    CERN Document Server

    Dupuy, Trent J; Ireland, Michael J

    2009-01-01

    By definition, brown dwarfs never reach the main-sequence, cooling and dimming over their entire lifetime, thus making substellar models challenging to test because of the strong dependence on age. Currently, most brown dwarfs with independently determined ages are companions to nearby stars, so stellar ages are at the heart of the effort to test substellar models. However, these models are only fully constrained if both the mass and age are known. We have used the Keck adaptive optics system to monitor the orbit of HD 130948BC, a brown dwarf binary that is a companion to the young solar analog HD 130948A. The total dynamical mass of 0.109+/-0.003 Msun shows that both components are substellar, and the ensemble of available age indicators from the primary star suggests an age comparable to the Hyades, with the most precise age being 0.79 Gyr based on gyrochronology. Therefore, HD 130948BC is unique among field L and T dwarfs as it possesses a well-determined mass, luminosity, and age. Our results indicate tha...

  18. A Game Theoretic Model Of Strategic Conflict In Cyberspace

    Science.gov (United States)

    2012-01-01

    by Shiva , Dasgupta, and Wu (2010). They develop a taxonomy of game theoretic models with two broad categories:  Static versus Dynamic. A “one shot...to date on cyber conflict deals only with noncooperative games. In the taxonomy of Shiva et al. (2010) our proposed model is a noncooperative, dynamic...approach for cyber situational awareness. SPIE’s Defense and Security Symposium, Orlando, FL. Shiva , S., Dasgupta, D., & Wu, O. (2010). Game theoretic

  19. Melanoma Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing melanoma cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  20. Accelerator simulation and theoretical modelling of radiation effects (SMoRE)

    CERN Document Server

    2018-01-01

    This publication summarizes the findings and conclusions of the IAEA coordinated research project (CRP) on accelerator simulation and theoretical modelling of radiation effects, aimed at supporting Member States in the development of advanced radiation-resistant structural materials for implementation in innovative nuclear systems. This aim can be achieved through enhancement of both experimental neutron-emulation capabilities of ion accelerators and improvement of the predictive efficiency of theoretical models and computer codes. This dual approach is challenging but necessary, because outputs of accelerator simulation experiments need adequate theoretical interpretation, and theoretical models and codes need high dose experimental data for their verification. Both ion irradiation investigations and computer modelling have been the specific subjects of the CRP, and the results of these studies are presented in this publication which also includes state-ofthe- art reviews of four major aspects of the project...

  1. Theoretical Modelling of Sound Radiation from Plate

    Science.gov (United States)

    Zaman, I.; Rozlan, S. A. M.; Yusoff, A.; Madlan, M. A.; Chan, S. W.

    2017-01-01

    Recently the development of aerospace, automotive and building industries demands the use of lightweight materials such as thin plates. However, the plates can possibly add to significant vibration and sound radiation, which eventually lead to increased noise in the community. So, in this study, the fundamental concept of sound pressure radiated from a simply-supported thin plate (SSP) was analyzed using the derivation of mathematical equations and numerical simulation of ANSYS®. The solution to mathematical equations of sound radiated from a SSP was visualized using MATLAB®. The responses of sound pressure level were measured at far field as well as near field in the frequency range of 0-200 Hz. Result shows that there are four resonance frequencies; 12 Hz, 60 Hz, 106 Hz and 158 Hz were identified which represented by the total number of the peaks in the frequency response function graph. The outcome also indicates that the mathematical derivation correlated well with the simulation model of ANSYS® in which the error found is less than 10%. It can be concluded that the obtained model is reliable and can be applied for further analysis such as to reduce noise emitted from a vibrating thin plate.

  2. Theoretical postulation of PLC channel model

    Directory of Open Access Journals (Sweden)

    Alexandru Ionuţ Chiuţă

    2009-05-01

    Full Text Available The objective of this document is to supply atheoretical basis for modelling the communicationlinks over powerlines. A comprehensive summary oftransmission properties and the noise scenario onpublic mains supply when used for data transmissionare given.Different PLC models - PLC channel, noise inPLC channel, coupling units, filters and conditioningdevices – will be created and they will be used tosimulate the PLC channel.PLC applications will have to work at veryunusual channels, solely designed for optimalelectrical power transportation, completelydisregarding signal transmission at high frequencies.It is shown that the typical properties aredescribed by transfer functions and noise scenariostypical for access and inhouse networks. The generaltransfer function for different channel types is derivedand, since an emulation system should reproducetypical classes of channels rather than singlemeasurements, the transfer function is concretisedwith reference channels. These are later serving asbasis for development of channel simulators andchannel emulators. Special attention is paid tomodelling of aperiodic impulsive noise since PLCsystems are reacting very sensitive to them and thisclass of noise has been insufficiently considered so far.

  3. Prediction models in complex terrain

    DEFF Research Database (Denmark)

    Marti, I.; Nielsen, Torben Skov; Madsen, Henrik

    2001-01-01

    are calculated using on-line measurements of power production as well as HIRLAM predictions as input thus taking advantage of the auto-correlation, which is present in the power production for shorter pediction horizons. Statistical models are used to discribe the relationship between observed energy production......The objective of the work is to investigatethe performance of HIRLAM in complex terrain when used as input to energy production forecasting models, and to develop a statistical model to adapt HIRLAM prediction to the wind farm. The features of the terrain, specially the topography, influence...... and HIRLAM predictions. The statistical models belong to the class of conditional parametric models. The models are estimated using local polynomial regression, but the estimation method is here extended to be adaptive in order to allow for slow changes in the system e.g. caused by the annual variations...

  4. From theoretical model to practical use:

    DEFF Research Database (Denmark)

    Bjørk, Ida Torunn; Lomborg, Kirsten; Nielsen, Carsten Munch

    2013-01-01

    passive diffusion strategies with interaction and teamwork between stakeholders. The use of knowledge creates feedback that might have consequences for the refinement and tailoring of that same knowledge itself. With end-users in mind, several heuristics were used by the research group to increase clarity...... of the model and to tailor the implementation of knowledge to the users. Implications for nursing. This article illustrates the need for enduring collaboration between stakeholders to promote the process of knowledge translation. Translation of research knowledge into practice is a time-consuming process...... that is enhanced when appropriate support is given by leaders in the involved facilities. Conclusion. Knowledge translation is a time-consuming and collaborative endeavour. On the basis of our experience we advocate the implementation and use of a conceptual framework for the entire process of knowledge...

  5. Theoretical model and quantification of reflectance photometer

    Institute of Scientific and Technical Information of China (English)

    Lihua Huang; Youbao Zhang; Chengke Xie; Jianfeng Qu; Huijie Huang; Xiangzhao Wang

    2009-01-01

    @@ The surface morphology of lateral flow (LF) strip is examined by scanning electron microscope (SEM) and the diffuse reflection of porous strip with or without nanogold particles is investigated.Based on the scattering and absorption of nanogold particles, a reflectance photometer is developed for quantification of LF strip with nanogold particles as reporter.The integration of reflection optical density is to indicate the signals of test line and control line.As an example, serial dilutions of microalbunminuria (MAU) solution are used to calibrate the performance of the reflectance photometer.The dose response curve is fitted with a four-parameter logistic mathematical model for the determination of an unknown MAU concentration.The response curve spans a dynamic range of 5 to 200 μg/ml.The developed reflectance photometer can realize simple and quantitative detection of analyte on nanogold-labeled LF strip.

  6. The Psychopathological Model of Mental Retardation: Theoretical and Therapeutic Considerations.

    Science.gov (United States)

    La Malfa, Giampaolo; Campigli, Marco; Bertelli, Marco; Mangiapane, Antonio; Cabras, Pier Luigi

    1997-01-01

    Describes a new integrated bio-psycho-social model of etiology for mental retardation. Discusses the problems with current models and the ability of the "universe line" model to integrate data from different research areas, especially cognitive and psychopathologic indicators. Addresses implications of this theoretical approach. (Author/CR)

  7. 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…

  8. Reality-Theoretical Models-Mathematics: A Ternary Perspective on Physics Lessons in Upper-Secondary School

    Science.gov (United States)

    Hansson, Lena; Hansson, Örjan; Juter, Kristina; Redfors, Andreas

    2015-01-01

    This article discusses the role of mathematics during physics lessons in upper-secondary school. Mathematics is an inherent part of theoretical models in physics and makes powerful predictions of natural phenomena possible. Ability to use both theoretical models and mathematics is central in physics. This paper takes as a starting point that the…

  9. Information-theoretic model selection applied to supernovae data

    CERN Document Server

    Biesiada, M

    2007-01-01

    There are several different theoretical ideas invoked to explain the dark energy with relatively little guidance of which one of them might be right. Therefore the emphasis of ongoing and forthcoming research in this field shifts from estimating specific parameters of cosmological model to the model selection. In this paper we apply information-theoretic model selection approach based on Akaike criterion as an estimator of Kullback-Leibler entropy. In particular, we present the proper way of ranking the competing models based on Akaike weights (in Bayesian language - posterior probabilities of the models). Out of many particular models of dark energy we focus on four: quintessence, quintessence with time varying equation of state, brane-world and generalized Chaplygin gas model and test them on Riess' Gold sample. As a result we obtain that the best model - in terms of Akaike Criterion - is the quintessence model. The odds suggest that although there exist differences in the support given to specific scenario...

  10. Theoretical Model Calculation for d + 8Li Reaction

    Institute of Scientific and Technical Information of China (English)

    HAN Yin-Lu; GUO Hai-Rui; ZHANG Yue; ZHANG Jing-Shang

    2008-01-01

    Based on the theoretical models for light nuclei, the calculations of reaction cross sections and the angular distributions for d+8Li reaction are performed. Since all of the particle emissions are from the compound nucleus to the discrete levels, the angular momentum coupling effect in pre-equilibrium mechanism is taken into account. The three-body break-up process and the recoil effect are involved. The theoretical calculated results are compared to existing experimental data.

  11. Theoretical Model of Transformation Superlastic Diffusion Bonding for Eutectoid Steel

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Based on current theories of diffusion and creep cavity closure at high temperature, a theoretical analysis of phase transformation diffusion bonding for T8/T8 eutectoid steel is carried out. The diffusion bonding is mainly described as two-stage process: Ⅰ The interfacial cavity with shape change from diamond to cylinder.Ⅱ The radius of the cylindrical cavity are reduced and eliminated gradually. A new theoretical model is established for the process of transformation superplastic diffusion bonding (TSDB) ...

  12. Prediction models in complex terrain

    DEFF Research Database (Denmark)

    Marti, I.; Nielsen, Torben Skov; Madsen, Henrik

    2001-01-01

    The objective of the work is to investigatethe performance of HIRLAM in complex terrain when used as input to energy production forecasting models, and to develop a statistical model to adapt HIRLAM prediction to the wind farm. The features of the terrain, specially the topography, influence...

  13. Modelling theoretical uncertainties in phenomenological analyses for particle physics

    CERN Document Server

    Charles, Jérôme; Niess, Valentin; Silva, Luiz Vale

    2016-01-01

    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 flavour p...

  14. 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.)

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

    Directory of Open Access Journals (Sweden)

    Jose Miguel Baptista Nunes

    1996-01-01

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

  16. THEORETICAL METHOD FOR PREDICTION OF THE CUTTING EDGE RECESSION DURING MILLING WOOD AND SECONDARY WOOD PRODUCTS

    Directory of Open Access Journals (Sweden)

    Bolesław Porankiewicz

    2008-11-01

    Full Text Available A theoretical method for prediction of cutting edge recession during milling wood and wood-based products, due to the presence of hard mineral contamination, High Temperature Tribochemical Reactions (HTTR, and frictional wearing, based on 3D random distribution of contaminant particles is presented and positively verified based on the example of three experiments from the literature, showing good correlation between the predicted and observed cutting edge recession.

  17. Development of Theoretical Methods for Predicting Solvent Effects on Reaction Rates in Supercritical Water Oxidation Processes

    Science.gov (United States)

    2007-11-02

    Tucker, manuscript in preparation. “Examination of Nonequilibrium Solvent Effects on an SN2 Reaction in Supercritical Water,” R. Behera, B...DATES COVERED Final: 7/1/99 - 12/31/02 4. TITLE AND SUBTITLE Development of theoretical methods for predicting solvent effects on reactions ...computational methods for predicting how reaction rate constants will vary with thermodynamic condition in supercritical water (SCW). Towards this

  18. Category-theoretic models of linear Abadi & Plotkin Logic

    DEFF Research Database (Denmark)

    Birkedal, Lars; Møgelberg, Rasmus Ejlers; Lerchedahl Petersen, Rasmus

    2008-01-01

    This paper presents a sound and complete category-theoretic notion of models for Linear Abadi & Plotkin Logic [Birkedal et al., 2006], a logic suitable for reasoning about parametricity in combination with recursion. A subclass of these called parametric LAPL structures can be seen as an axiomati......This paper presents a sound and complete category-theoretic notion of models for Linear Abadi & Plotkin Logic [Birkedal et al., 2006], a logic suitable for reasoning about parametricity in combination with recursion. A subclass of these called parametric LAPL structures can be seen...... as an axiomatization of domain theoretic models of parametric polymorphism, and we show how to solve general (nested) recursive domain equations in these. parametric LAPL structures constitute a general notion of model of parametricity in a setting with recursion. In future papers we will demonstrate this by showing...... how many different models of parametricity and recursion give rise to parametric LAPL structures, including Simpson and Rosolini’s set theoretic models [Rosolini and Simpson, 2004], a syntactic model based on Lily [Pitts, 2000, Bierman et al., 2000] and a model based on admissible pers over...

  19. Theoretical bases of modeling decision-marketing solutions

    OpenAIRE

    Grigoruk Pavel Mikhaylovych

    2012-01-01

    The paper deals with issues related with theoretical aspects of modelling of marketing decision making process. According to system approach marketing decision making process is seen as a set of related subprocesses. Provided an opportunity to use the economic and mathematical modelling at each stage of the decision making process.

  20. STRONG NORMALIZATION IN TYPE SYSTEMS - A MODEL THEORETICAL APPROACH

    NARCIS (Netherlands)

    TERLOUW, J

    1995-01-01

    Tait's proof of strong normalization for the simply typed lambda-calculus is interpreted in a general model theoretical framework by means of the specification of a certain theory T and a certain model U of T. The argumentation is partly reduced to formal predicate logic by the application of

  1. Fiberglass-reinforced glulam beams: mechanical properties and theoretical model

    Directory of Open Access Journals (Sweden)

    Juliano Fiorelli

    2006-09-01

    Full Text Available The glued-laminated lumber (glulam technique is an efficient process for making rational use of wood. Fiber-Reinforced Polymers (FRPs associated with glulam beams provide significant gains in terms of strength and stiffness, and also alter the mode of rupture of these structural elements. In this context, this paper presents a theoretical model for designing reinforced glulam beams. The model allows for the calculation of the bending moment, the hypothetical distribution of linear strains along the height of the beam, and considers the wood has a linear elastic fragile behavior in tension parallel to the fibers and bilinear in compression parallel to the fibers, initially elastic and subsequently inelastic, with a negative decline in the stress-strain diagram. The stiffness was calculated by the transformed section method. Twelve non-reinforced and fiberglass reinforced glulam beams were evaluated experimentally to validate the proposed theoretical model. The results obtained indicate good congruence between the experimental and theoretical values.

  2. Predictive models of forest dynamics.

    Science.gov (United States)

    Purves, Drew; Pacala, Stephen

    2008-06-13

    Dynamic global vegetation models (DGVMs) have shown that forest dynamics could dramatically alter the response of the global climate system to increased atmospheric carbon dioxide over the next century. But there is little agreement between different DGVMs, making forest dynamics one of the greatest sources of uncertainty in predicting future climate. DGVM predictions could be strengthened by integrating the ecological realities of biodiversity and height-structured competition for light, facilitated by recent advances in the mathematics of forest modeling, ecological understanding of diverse forest communities, and the availability of forest inventory data.

  3. 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.

  4. Modelling Opinion Dynamics: Theoretical analysis and continuous approximation

    CERN Document Server

    Pinasco, Juan Pablo; Balenzuela, Pablo

    2016-01-01

    Frequently we revise our first opinions after talking over with other individuals because we get convinced. Argumentation is a verbal and social process aimed at convincing. It includes conversation and persuasion. In this case, the agreement is reached because the new arguments are incorporated. In this paper we deal with a simple model of opinion formation with such persuasion dynamics, and we find the exact analytical solutions for both, long and short range interactions. A novel theoretical approach has been used in order to solve the master equations of the model with non-local kernels. Simulation results demonstrate an excellent agreement with results obtained by the theoretical estimation.

  5. A New Theoretical Model of a Carbon Nanotube Strain Sensor

    Institute of Scientific and Technical Information of China (English)

    QIU Wei; KANG Yi-Lan; LEI Zhen-Kun; QIN Qing-Hua; LI Qiu

    2009-01-01

    Carbon nanotubes (CNTs) are potential strain sensors due to their excellent mechanical and spectral properties.A new theoretical model of a CNT strain sensor is obtained by applying the polarized Raman properties of CNTs,which calculates the synthetic contributions of Raman spectra from the CNTs in random directions.By using this theoretical model,the analytic relationship between planar strain components and the Raman shift increment of uniformly dispersed CNTs is obtained,which is applicable for accurately characterizing the strain in random directions on the surface of a measured microsystem.

  6. Decision-Theoretical Navigation of Service Robots Using POMDPs with Human-Robot Co-Occurrence Prediction

    Directory of Open Access Journals (Sweden)

    Kun Qian

    2013-02-01

    Full Text Available To improve the natural human‐avoidance skills of service robots, a human motion predictive navigation method is proposed, namely PN‐POMDP. A human‐robot motion co‐occurrence estimation algorithm is proposed which incorporates long‐term and short‐term human motion prediction. To improve the reliability of probabilistic and predictive navigation, the POMDP model is utilized to generate navigation control policies through theoretically optimal decisions. A layered motion control structure is proposed that combines global path planning and reactive avoidance. Multiple comity policies are integrated with a decision‐making module that generates efficient and human‐compliant navigational behaviours for robots. Experimental results illustrate the effectiveness and reliability of the predictive navigation method.

  7. Theoretical prediction of single-site enthalpies of surface protonation for oxides and silicates in water

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D.A.; Sahai, N. [Johns Hopkins Univ., Baltimore, MD (United States). Morton K. Blaustein Dept. of Earth and Planetary Sciences

    1998-12-01

    Surface protonation is the most fundamental adsorption process of geochemical interest. Yet remarkably little is known about protonation of mineral surfaces at temperatures greater than 25 C. Experimentally derived standard enthalpies of surface protonation, {Delta}H{degree}{sub r,1}, {Delta}H{degree}{sub r,2}, and {Delta}H{degree}{sub r,ZPC}, correspond to the reactions >SOH + H{sup +} = >SOH{sub 2}{sup +}; >SO{sup {minus}} + H{sup +} = >SOH; and >SO{sup {minus}} + 2H{sup +} = >SOH{sub 2}{sup +}, respectively, and provide a starting point for evaluating the role of surface protonation in geochemical processes at elevated temperatures. However, the experimental data for oxides do not have a theoretical explanation, and data are completely lacking for silicates other than SiO{sub 2}. In the present study, the combination of crystal chemical and Born solvation theory provides a theoretical basis for explaining the variation of the enthalpies of protonation of oxides. Experimental values of {Delta}H{degree}{sub r,1}, {Delta}H{degree}{sub r,2}, and {Delta}H{degree}{sub r,ZPC} consistent with the triple layer model can be expressed in terms of the inverse of the dielectric constant (1/{epsilon}) and the Pauling bond strength per angstrom (s/r{sub M-OH}) of each mineral. Predicted standard enthalpies of surface protonation for oxides and silicates extend over the ranges (in kcal/mole):{Delta}H{degree}{sub r,1} {approx} {minus}3 to {minus}15; {Delta}H{degree}{sub r,2} {approx} {minus}5 to {minus}18; {Delta}H{degree}{sub r,ZPC} {approx} {minus}4 to {minus}33.

  8. Theoretical Relevance of Neuropsychological Data for Connectionist Modelling

    Directory of Open Access Journals (Sweden)

    Mauricio Iza

    2011-05-01

    Full Text Available The symbolic information-processing paradigm in cognitive psychology has met a growing challenge from neural network models over the past two decades. While neuropsychological
    evidence has been of great utility to theories concerned with information processing, the real question is, whether the less rigid connectionist models provide valid, or enough, information
    concerning complex cognitive structures. In this work, we will discuss the theoretical implications that neuropsychological data posits for modelling cognitive systems.

  9. The theoretical development of the cascade model excimer laser irradiation on the organ of vision

    Directory of Open Access Journals (Sweden)

    V. N. Trubilin

    2012-01-01

    Full Text Available Authors analyzed the baseline (Pershin K. B., 2000 and advanced (trubilin V. N Pozharitskii M. D., 2011 theoretical model of the cascade excimer laser effects on eyesight.the analysis indicates a lack of elaboration of issues related to the cascade of «a priori measures» aimed at medical and psycho- logical prediction «quality of life» and post-operative rehabilitation. In theory, authors suggest further improvement of the cascade model of excimer laser irradiation on the organ of vision. the proposed theoretical concepts will provide a practical matter, improvefunctional and subjective results of the excimer laser correction of refractive errors.

  10. Theoretical models in the development of advertising for food products

    DEFF Research Database (Denmark)

    Bech-Larsen, Tino; Stacey, Julia

    2005-01-01

    Many advertising people believe that theoretical models hamper creativity and efficiency in the development of advertising messages. This need not be the case, if the theoretical models are sufficiently flexible and intelligible. On the contrary, a workable model that describes how...... the advertisement influences the target may serve as creative inspiration and as a common frame of reference for those involved in the development of advertisements. The means-end-chain model says that an advertisement is effective by connecting the product's attributes (means) and the target's personal values...... (ends). MAPP's experience with the model indicates that it is both flexible and intuitively accessible to practicians. In order to study this MAPP and the Danish Fruit Growers' Association asked an advertising agency to produce two campaign proposals with the purpose of getting young people to eat more...

  11. Toward a Theoretical Model of Decision-Making and Resistance to Change among Higher Education Online Course Designers

    Science.gov (United States)

    Dodd, Bucky J.

    2013-01-01

    Online course design is an emerging practice in higher education, yet few theoretical models currently exist to explain or predict how the diffusion of innovations occurs in this space. This study used a descriptive, quantitative survey research design to examine theoretical relationships between decision-making style and resistance to change…

  12. Toward a Theoretical Model of Decision-Making and Resistance to Change among Higher Education Online Course Designers

    Science.gov (United States)

    Dodd, Bucky J.

    2013-01-01

    Online course design is an emerging practice in higher education, yet few theoretical models currently exist to explain or predict how the diffusion of innovations occurs in this space. This study used a descriptive, quantitative survey research design to examine theoretical relationships between decision-making style and resistance to change…

  13. Predictive coding and the slowness principle: an information-theoretic approach.

    Science.gov (United States)

    Creutzig, Felix; Sprekeler, Henning

    2008-04-01

    Understanding the guiding principles of sensory coding strategies is a main goal in computational neuroscience. Among others, the principles of predictive coding and slowness appear to capture aspects of sensory processing. Predictive coding postulates that sensory systems are adapted to the structure of their input signals such that information about future inputs is encoded. Slow feature analysis (SFA) is a method for extracting slowly varying components from quickly varying input signals, thereby learning temporally invariant features. Here, we use the information bottleneck method to state an information-theoretic objective function for temporally local predictive coding. We then show that the linear case of SFA can be interpreted as a variant of predictive coding that maximizes the mutual information between the current output of the system and the input signal in the next time step. This demonstrates that the slowness principle and predictive coding are intimately related.

  14. Healing from Childhood Sexual Abuse: A Theoretical Model

    Science.gov (United States)

    Draucker, Claire Burke; Martsolf, Donna S.; Roller, Cynthia; Knapik, Gregory; Ross, Ratchneewan; Stidham, Andrea Warner

    2011-01-01

    Childhood sexual abuse is a prevalent social and health care problem. The processes by which individuals heal from childhood sexual abuse are not clearly understood. The purpose of this study was to develop a theoretical model to describe how adults heal from childhood sexual abuse. Community recruitment for an ongoing broader project on sexual…

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

    Science.gov (United States)

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

    2003-01-01

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

  16. THEORETICAL CHEMICAL ENGINEERING - Modeling and Simulation by Christo Boyadjiev

    Directory of Open Access Journals (Sweden)

    Simeon Oka

    2010-01-01

    Full Text Available Book Title: THEORETICAL CHEMICAL ENGINEERING - Modeling and Simulation Author(s: Christo Boyadjiev Institute of Chemical Engineering, Bulgarian Academy of Science, Sofia Publisher: Springer, 2010 ISBN: 978-3-642-10777-1 Review by: Prof. Simeon Oka, Ph. D., Scientific advisor - retired

  17. THEORETICAL MODEL OF VIBRATING OBJECT TRANSMITTING NOISE TOWARDS EXTERNAL SOUND

    Institute of Scientific and Technical Information of China (English)

    姚志远

    2002-01-01

    On the basic theory of modal method, the coupling relation between the vibration of objects and external sound was analyzed, the theoretical model solving the vibration and noise was provided, the corresponding calculation formula was given. The calculating results show out that this calculation formula is correct.

  18. Game-theoretic model of dispersed material drying process

    Science.gov (United States)

    Oleg, Malafeyev; Denis, Rylow; Irina, Zaitseva; Pavel, Zelenkovskii; Marina, Popova; Lydia, Novozhilova

    2017-07-01

    Continuous and discrete game-theoretic models of dispersed material drying process are formalized and studied in the paper. The existence of optimal drying strategies is shown through application of results from the theory of differential games and dynamic programming. These optimal strategies can be found numerically.

  19. Organizational Resilience: The Theoretical Model and Research Implication

    Directory of Open Access Journals (Sweden)

    Xiao Lei

    2017-01-01

    Full Text Available Organizations are all subject to a diverse and ever changing and uncertain environment. Under this situation organizations should develop a capability which can resist the emergency and recover from the disruption. Base on lot of literature, the paper provides the main concept of organizational resilience; construct the primary theoretical model and some implications for management.

  20. The Theoretical Foundation for Intercultural Business Communication: A Conceptual Model.

    Science.gov (United States)

    Varner, Iris I.

    2000-01-01

    Develops a theoretical framework for intercultural business communication which sets it apart from intercultural communication and international business. Presents a model that discusses the intercultural, business, and communication strategies that are part of intercultural business communication. Examines how past articles in the field fit into…

  1. Healing from Childhood Sexual Abuse: A Theoretical Model

    Science.gov (United States)

    Draucker, Claire Burke; Martsolf, Donna S.; Roller, Cynthia; Knapik, Gregory; Ross, Ratchneewan; Stidham, Andrea Warner

    2011-01-01

    Childhood sexual abuse is a prevalent social and health care problem. The processes by which individuals heal from childhood sexual abuse are not clearly understood. The purpose of this study was to develop a theoretical model to describe how adults heal from childhood sexual abuse. Community recruitment for an ongoing broader project on sexual…

  2. Prediction of protein secondary structure from circular dichroism using theoretically derived spectra.

    Science.gov (United States)

    Louis-Jeune, Caroline; Andrade-Navarro, Miguel A; Perez-Iratxeta, Carol

    2012-02-01

    Circular dichroism (CD) is a spectroscopic technique commonly used to investigate the structure of proteins. Major secondary structure types, alpha-helices and beta-strands, produce distinctive CD spectra. Thus, by comparing the CD spectrum of a protein of interest to a reference set consisting of CD spectra of proteins of known structure, predictive methods can estimate the secondary structure of the protein. Currently available methods, including K2D2, use such experimental CD reference sets, which are very small in size when compared to the number of tertiary structures available in the Protein Data Bank (PDB). Conversely, given a PDB structure, it is possible to predict a theoretical CD spectrum from it. The methodological framework for this calculation was established long ago but only recently a convenient implementation called DichroCalc has been developed. In this study, we set to determine whether theoretically derived spectra could be used as reference set for accurate CD based predictions of secondary structure. We used DichroCalc to calculate the theoretical CD spectra of a nonredundant set of structures representing most proteins in the PDB, and applied a straightforward approach for predicting protein secondary structure content using these theoretical CD spectra as reference set. We show that this method improves the predictions, particularly for the wavelength interval between 200 and 240 nm and for beta-strand content. We have implemented this method, called K2D3, in a publicly accessible web server at http://www. ogic.ca/projects/k2d3.

  3. Rheological investigations on the theoretical predicted “Poisoning” effect in bidisperse ferrofluids

    Energy Technology Data Exchange (ETDEWEB)

    Siebert, E. [Chair of Magnetofluiddynamics, Measuring and Automation Technology, Technische Universität Dresden (Germany); Dupuis, V.; Neveu, S. [Sorbonne Universités, UPMC Univ Paris 06, UMR 8234, PHENIX, F-75005 Paris (France); CNRS, UMR 8234, PHENIX, F-75005 Paris (France); Odenbach, S., E-mail: stefan.odenbach@tu-dresden.de [Chair of Magnetofluiddynamics, Measuring and Automation Technology, Technische Universität Dresden (Germany)

    2015-01-15

    Interparticle interactions in ferrofluids especially the influence of small particles on the agglomeration behaviour of large particles were the topic of numerous theoretical predictions and simulations as well as of experimental investigations. In this context the “Poisoning” effect describes the decrease of the magnetoviscous effect in the presence of small particles in a bidisperse model fluid. In order to examine this effect rheological experiments have been carried out by means of a specially designed rheometer, which allows measurements under the influence of an applied magnetic field. We were able to synthesize ferrofluids with a narrow particle size distribution containing only small or large cobalt ferrite nanoparticles, which were mixed to receive various bidisperse fluid samples. With these fluids changes of the viscous behaviour in a magnetic field have been measured and compared according to their individual compositions. - Highlights: • Two ferrofluids containing either large or small particles were synthesized. • The “Poisoning” effect is not present in the observed fluid compositions. • The magnetoviscous effect increases with rising amount of small particles. • The usual shear thinning behaviour is suppressed by the presence of small particles. • The small particle influence parameter (SPIP) is introduced.

  4. Predictability of the Indian Ocean Dipole in the coupled models

    Science.gov (United States)

    Liu, Huafeng; Tang, Youmin; Chen, Dake; Lian, Tao

    2017-03-01

    In this study, the Indian Ocean Dipole (IOD) predictability, measured by the Indian Dipole Mode Index (DMI), is comprehensively examined at the seasonal time scale, including its actual prediction skill and potential predictability, using the ENSEMBLES multiple model ensembles and the recently developed information-based theoretical framework of predictability. It was found that all model predictions have useful skill, which is normally defined by the anomaly correlation coefficient larger than 0.5, only at around 2-3 month leads. This is mainly because there are more false alarms in predictions as leading time increases. The DMI predictability has significant seasonal variation, and the predictions whose target seasons are boreal summer (JJA) and autumn (SON) are more reliable than that for other seasons. All of models fail to predict the IOD onset before May and suffer from the winter (DJF) predictability barrier. The potential predictability study indicates that, with the model development and initialization improvement, the prediction of IOD onset is likely to be improved but the winter barrier cannot be overcome. The IOD predictability also has decadal variation, with a high skill during the 1960s and the early 1990s, and a low skill during the early 1970s and early 1980s, which is very consistent with the potential predictability. The main factors controlling the IOD predictability, including its seasonal and decadal variations, are also analyzed in this study.

  5. Model selection and inference a practical information-theoretic approach

    CERN Document Server

    Burnham, Kenneth P

    1998-01-01

    This book is unique in that it covers the philosophy of model-based data analysis and an omnibus strategy for the analysis of empirical data The book introduces information theoretic approaches and focuses critical attention on a priori modeling and the selection of a good approximating model that best represents the inference supported by the data Kullback-Leibler information represents a fundamental quantity in science and is Hirotugu Akaike's basis for model selection The maximized log-likelihood function can be bias-corrected to provide an estimate of expected, relative Kullback-Leibler information This leads to Akaike's Information Criterion (AIC) and various extensions and these are relatively simple and easy to use in practice, but little taught in statistics classes and far less understood in the applied sciences than should be the case The information theoretic approaches provide a unified and rigorous theory, an extension of likelihood theory, an important application of information theory, and are ...

  6. A theoretical model for smoking prevention studies in preteen children.

    Science.gov (United States)

    McGahee, T W; Kemp, V; Tingen, M

    2000-01-01

    The age of the onset of smoking is on a continual decline, with the prime age of tobacco use initiation being 12-14 years. A weakness of the limited research conducted on smoking prevention programs designed for preteen children (ages 10-12) is a well-defined theoretical basis. A theoretical perspective is needed in order to make a meaningful transition from empirical analysis to application of knowledge. Bandura's Social Cognitive Theory (1977, 1986), the Theory of Reasoned Action (Ajzen & Fishbein, 1980), and other literature linking various concepts to smoking behaviors in preteens were used to develop a model that may be useful for smoking prevention studies in preteen children.

  7. Theoretic computing model of combustion process of asphalt smoke

    Institute of Scientific and Technical Information of China (English)

    HUANG Rui; CHAI Li-yuan; HE De-wen; PENG Bing; WANG Yun-yan

    2005-01-01

    Based on the data and methods provided by research literature, dispersing mathematical model of combustion process of asphalt smoke is set by theoretic analysis. Through computer programming, the dynamic combustion process of asphalt smoke is calculated to simulate an experimental model. The computing result shows that the temperature and the concentration of asphalt smoke influence its burning temperature in approximatively linear manner. The consumed quantity of fuel to ignite the asphalt smoke needs to be measured from the two factors.

  8. Critical review of problem solving processes traditional theoretical models

    OpenAIRE

    Botía Sanabria, María Lucero; Universidad Antonio Nariño, Bogotá, Colombia; Orozco Pulido, Luis Humberto; Universidad Antonio Nariño, Bogotá, Colombia

    2015-01-01

    This paper presents a brief analysis of most known problem solving theoretical models realized using epistemological categories such as observer position, object of study, methods and procedures, and descriptive or explicative scope. The review showed linear and cyclical models, the need to recognize method's limitations to generalizing, the relevance of expliciting observer position, and a diffuse delimitation of the object problem solving as a cognitive process. An integrative and molar the...

  9. A Modified Theoretical Model of Intrinsic Hardness of Crystalline Solids

    OpenAIRE

    Fu-Zhi Dai; Yanchun Zhou

    2016-01-01

    Super-hard materials have been extensively investigated due to their practical importance in numerous industrial applications. To stimulate the design and exploration of new super-hard materials, microscopic models that elucidate the fundamental factors controlling hardness are desirable. The present work modified the theoretical model of intrinsic hardness proposed by Gao. In the modification, we emphasize the critical role of appropriately decomposing a crystal to pseudo-binary crystals, wh...

  10. A new theoretical model of the quasistatic single-fiber pullout problem: Analysis of stress field

    DEFF Research Database (Denmark)

    Qing, Hai

    2013-01-01

    results of the stress distributions, in both fully bonded region and fully debonded region, are presented for a typical glass/epoxy composite system with different fibre volume fraction and model length. In fully bonded region, the theoretical results from present model are more accurate compared......A new theoretical model is developed in order to predict the stress transfer during the quasistatic single-fibre pullout process. The theoretical approach retains all relevant stress and strain components, and satisfies exactly the interfacial continuity conditions and all the stress boundary...... conditions. For both matrix and fibre, the equilibrium equations along radial direction are satisfied strictly, while the equilibrium equations along axial direction are satisfied in the integral forms. Three normal stress-strain relationships are strictly satisfied, while the radial displacement gradient...

  11. Electromechanical properties of smart aggregate: theoretical modeling and experimental validation

    Science.gov (United States)

    Wang, Jianjun; Kong, Qingzhao; Shi, Zhifei; Song, Gangbing

    2016-09-01

    Smart aggregate (SA), as a piezoceramic-based multi-functional device, is formed by sandwiching two lead zirconate titanate (PZT) patches with copper shielding between a pair of solid-machined cylindrical marble blocks with epoxy. Previous researches have successfully demonstrated the capability and reliability of versatile SAs to monitor the structural health of concrete structures. However, the previous works concentrated mainly on the applications of SAs in structural health monitoring; no reasonable theoretical model of SAs was proposed. In this paper, electromechanical properties of SAs were investigated using a proposed theoretical model. Based on one dimensional linear theory of piezo-elasticity, the dynamic solutions of a SA subjected to an external harmonic voltage were solved. Further, the electric impedance of the SA was computed, and the resonance and anti-resonance frequencies were calculated based on derived equations. Numerical analysis was conducted to discuss the effects of the thickness of epoxy layer and the dimension of PZT patch on the fundamental resonance and anti-resonance frequencies as well as the corresponding electromechanical coupling factor. The dynamic solutions based on the proposed theoretical model were further experimentally verified with two SA samples. The fundamental resonance and anti-resonance frequencies of SAs show good agreements in both theoretical and experimental results. The presented analysis and results contribute to the overall understanding of SA properties and help to optimize the working frequencies of SAs in structural health monitoring of civil structures.

  12. The turbulent recirculating flow field in a coreless induction furnace. A comparison of theoretical predictions with measurements

    Science.gov (United States)

    El-Kaddah, N.; Szekely, J.

    A mathematical representation for the electromagnetic force field and the fluid flow field in a coreless induction furnace is presented. The fluid flow field was represented by writing the axisymmetric turbulent Navier-Stokes equation, containing the electromagnetic body force term. The electromagnetic body force field was calculated by using a technique of mutual inductances. The kappa-epsilon model was employed for evaluating the turbulent viscosity and the resultant differential equations were solved numerically. Theoretically predicted velocity fields are in reasonably good agreement with the experimental measurements reported by Hunt and Moore; furthermore, the agreement regarding the turbulent intensities are essentially quantitative. These results indicate that the kappa-epsilon model provides a good engineering representation of the turbulent recirculating flows occurring in induction furnaces. At this stage it is not clear whether the discrepancies between measurements and the predictions, which were not very great in any case, are attributable either to the model or to the measurement techniques employed.

  13. Theoretical model for a Faraday anomalous dispersion optical filter

    Science.gov (United States)

    Yin, B.; Shay, T. M.

    1991-01-01

    A model for the Faraday anomalous dispersion optical filter is presented. The model predicts a bandwidth of 0.6 GHz and a transmission peak of 0.98 for a filter operating on the Cs (D2) line. The model includes hyperfine effects and is valid for arbitrary magnetic fields.

  14. Examination of a Theoretical Model of Streaming Potential Coupling Coefficient

    Directory of Open Access Journals (Sweden)

    D. T. Luong

    2014-01-01

    Full Text Available Seismoelectric effects and streaming potentials play an important role in geophysical applications. The key parameter for those phenomena is the streaming potential coupling coefficient, which is, for example, dependent on the zeta potential of the interface of the porous rocks. Comparison of an existing theoretical model to experimental data sets from available published data for streaming potentials has been performed. However, the existing experimental data sets are based on samples with dissimilar fluid conductivity, pH of pore fluid, temperature, and sample compositions. All those dissimilarities may cause the observed deviations. To critically assess the models, we have carried out streaming potential measurement as a function of electrolyte concentration and temperature for a set of well-defined consolidated samples. The results show that the existing theoretical model is not in good agreement with the experimental observations when varying the electrolyte concentration, especially at low electrolyte concentration. However, if we use a modified model in which the zeta potential is considered to be constant over the electrolyte concentration, the model fits the experimental data well in a whole range of concentration. Also, for temperature dependence, the comparison shows that the theoretical model is not fully adequate to describe the experimental data but does describe correctly the increasing trend of the coupling coefficient as function of temperature.

  15. TheoReTS - An information system for theoretical spectra based on variational predictions from molecular potential energy and dipole moment surfaces

    Science.gov (United States)

    Rey, Michaël; Nikitin, Andrei V.; Babikov, Yurii L.; Tyuterev, Vladimir G.

    2016-09-01

    Knowledge of intensities of rovibrational transitions of various molecules and theirs isotopic species in wide spectral and temperature ranges is essential for the modeling of optical properties of planetary atmospheres, brown dwarfs and for other astrophysical applications. TheoReTS ("Theoretical Reims-Tomsk Spectral data") is an Internet accessible information system devoted to ab initio based rotationally resolved spectra predictions for some relevant molecular species. All data were generated from potential energy and dipole moment surfaces computed via high-level electronic structure calculations using variational methods for vibration-rotation energy levels and transitions. When available, empirical corrections to band centers were applied, all line intensities remaining purely ab initio. The current TheoReTS implementation contains information on four-to-six atomic molecules, including phosphine, methane, ethylene, silane, methyl-fluoride, and their isotopic species 13CH4 , 12CH3D , 12CH2D2 , 12CD4 , 13C2H4, … . Predicted hot methane line lists up to T = 2000 K are included. The information system provides the associated software for spectra simulation including absorption coefficient, absorption and emission cross-sections, transmittance and radiance. The simulations allow Lorentz, Gauss and Voight line shapes. Rectangular, triangular, Lorentzian, Gaussian, sinc and sinc squared apparatus function can be used with user-defined specifications for broadening parameters and spectral resolution. All information is organized as a relational database with the user-friendly graphical interface according to Model-View-Controller architectural tools. The full-featured web application is written on PHP using Yii framework and C++ software modules. In case of very large high-temperature line lists, a data compression is implemented for fast interactive spectra simulations of a quasi-continual absorption due to big line density. Applications for the TheoReTS may

  16. Theoretical prediction of stationary positions in the rectangular chamber during asymmetric electroosmotic flow

    Science.gov (United States)

    1985-01-01

    Most microscopic cell electrophoretic work depends on the theortical prediction of stationary positions by Smoluchowski and Komagata. Their theoretical solutions are based on the assumption that the electroosmotic flow in a chamber is symmetric. Because experiences with the rectangular chamber indicate that symmetric flow occurs during less than 8% of the experiments, the existing theory for stationary position determination is expanded to include the more general case of asymmetric flow. Smoluchowski's equation for symmetric electroosmotic flow in a rectangular chamber having a width much smaller than its height or length is examined. Smoluchowski's approach is used to approximate stationary positions in rectangular chambers with height/width ratios greater than 40. Support for the theoretical prediction of stationary positions using is given by three types of experimental evidence.

  17. Applying Theoretical Approach for Predicting the Selective Calcium Channel Blockers Pharmacological Parameter by Biopartitioning Micellar Chromatography

    Institute of Scientific and Technical Information of China (English)

    WANG Su-Min; YANG Geng-Liang; LI Zhi-Wei; LIU Hai-Yan; GUO Hui-Juan

    2006-01-01

    The usefulness of biopartitioning micellar chromatography (BMC) for predicting oral drug acute toxicity and apparent bioavailability was demonstrated. A logarithmic model (an LD50 model) and the second order polynomial models (apparent bioavailability model) have been obtained using the retention data of the selective calcium channel blockers to predict pharmacological properties of compounds. The use of BMC is simple, reproducible and can provide key information about the acute toxicity and transport properties of new compounds during the drug discovery process.

  18. A theoretical prediction of friction drag reduction in turbulent flow by superhydrophobic surfaces

    Science.gov (United States)

    Fukagata, Koji; Kasagi, Nobuhide; Koumoutsakos, Petros

    2006-05-01

    We present a theoretical prediction for the drag reduction rate achieved by superhydrophobic surfaces in a turbulent channel flow. The predicted drag reduction rate is in good agreement with results obtained from direct numerical simulations at Reτ≃180 and 400. The present theory suggests that large drag reduction is possible also at Reynolds numbers of practical interest (Reτ˜105-106) by employing a hydrophobic surface, which induces a slip length on the order of ten wall units or more.

  19. Theoretical prediction of regression rates in swirl-injection hybrid rocket engines

    Science.gov (United States)

    Ozawa, K.; Shimada, T.

    2016-07-01

    The authors theoretically and analytically predict what times regression rates of swirl injection hybrid rocket engines increase higher than the axial injection ones by estimating heat flux from boundary layer combustion to the fuel port. The schematic of engines is assumed as ones whose oxidizer is injected from the opposite side of the nozzle such as ones of Yuasa et al. propose. To simplify the estimation, we assume some hypotheses such as three-dimensional (3D) axisymmetric flows have been assumed. The results of this prediction method are largely consistent with Yuasa's experiments data in the range of high swirl numbers.

  20. Using the theoretical linear energy solvation energy relationship to correlate and predict nasal pungency thresholds.

    Science.gov (United States)

    Famini, George R; Aguiar, Denise; Payne, Marvin A; Rodriquez, Ryan; Wilson, Leland Y

    2002-01-01

    The theoretical linear solvation energy relationship (TLSER) has been used to correlate and characterize 44 nasal pungency threshold (NPT) values in man with parameters derived from semi-empirical molecular orbital theory. The resulting relationship provides good correlative (R2 > 0.92) and predictive (R2cy > 0.88) capability. In addition, the TLSER parameters are used as a molecular probe to attempt to understand the fundamental properties influencing nasal pungency.

  1. Multiscale modeling of complex materials phenomenological, theoretical and computational aspects

    CERN Document Server

    Trovalusci, Patrizia

    2014-01-01

    The papers in this volume deal with materials science, theoretical mechanics and experimental and computational techniques at multiple scales, providing a sound base and a framework for many applications which are hitherto treated in a phenomenological sense. The basic principles are formulated of multiscale modeling strategies towards modern complex multiphase materials subjected to various types of mechanical, thermal loadings and environmental effects. The focus is on problems where mechanics is highly coupled with other concurrent physical phenomena. Attention is also focused on the historical origins of multiscale modeling and foundations of continuum mechanics currently adopted to model non-classical continua with substructure, for which internal length scales play a crucial role.

  2. 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.

  3. 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.

  4. A General Theoretical Model of Enthalpy-EntropyCompensation

    Institute of Scientific and Technical Information of China (English)

    LIU,Lei; GUO, Qing-Xiang

    2001-01-01

    Enthalpy-entropy compensation remains a mystery in chemistry and biophysics.recent study suggested that the solventreorganization might constitute the physical orihin of the compensation, which was unforumstely not wisely applicable because compensation was also observeserved in solid phade reactions.In this study,a general theoretical model based upon strictmathematical deduction was presented,which indicated thatthe redistribution of the distinguishable subspecies might bethe physical origin of the enthalpy-intropy compensations in solvation and surface adsorption weue discussed.

  5. A theoretical retention model for unsaturated uniform and graded soils

    Directory of Open Access Journals (Sweden)

    Monnet Jacques

    2016-01-01

    Full Text Available Modelling the relation between the degree of saturation and the suction (ie retention curve is an important challenge for geotechnical engineering. It has a huge influence on the behavior of large soil constructions as levees, embankments, road earthworks. We present here a theoretical model of retention curve which considers physical relations of unsaturated soils. With this approach, there is no need to assume particular shapes of the retention curves, which are a consequence of the physical assumptions. The present study is focused on a theoretical model based on elastic spherical particle arrangement. As a first step a uniform model is presented with a single diameter of soil particle. A second step extends the use of the model to graded soils. The model uses only 5 physical parameters. It is compared with the experimental retention curve of two different samples of glass uniform particles and two different graded soils, a graded glass sample and the Livet-Gavet loam. It shows its ability to model the experimental curves and a better agreement than the former theory of Brooks and Corey (1966. This current publication is funded by the French National Project «Terredurable» (ANR 2011,.

  6. A Theoretical Framework for Physics Education Research: Modeling Student Thinking

    CERN Document Server

    Redish, E F

    2004-01-01

    Education is a goal-oriented field. But if we want to treat education scientifically so we can accumulate, evaluate, and refine what we learn, then we must develop a theoretical framework that is strongly rooted in objective observations and through which different theoretical models of student thinking can be compared. Much that is known in the behavioral sciences is robust and observationally based. In this paper, I draw from a variety of fields ranging from neuroscience to sociolinguistics to propose an over-arching theoretical framework that allows us to both make sense of what we see in the classroom and to compare a variety of specific theoretical approaches. My synthesis is organized around an analysis of the individual's cognition and how it interacts with the environment. This leads to a two level system, a knowledge-structure level where associational patterns dominate, and a control-structure level where one can describe expectations and epistemology. For each level, I sketch some plausible startin...

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

    Science.gov (United States)

    Lemmens, Karin M M; Nieboer, Anna P; Rutten-Van Mölken, Maureen P M H; van Schayck, Constant P; Asin, Javier D; Dirven, Jos A M; Huijsman, Robbert

    2010-03-26

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

  8. Theoretical models for near forward light scattering by a Plasmodium falciparum infected red blood cell

    Science.gov (United States)

    Sharma, S. K.

    2012-12-01

    A number of experimental elastic light scattering studies have been performed in the past few years with the aim of developing automated in vivo tools for differentiating a healthy red blood cell from a Plasmodium falciparum infected cell. This paper examines some theoretical aspects of the problem. An attempt has been made to simulate the scattering patterns of healthy as well as infected individual red blood cells. Two models, namely, a homogeneous sphere model and a coated sphere model have been considered. The scattering patterns predicted by these models are examined. A possible method for discriminating infected red blood cells from healthy ones has been suggested.

  9. Theoretical models of pentamidine analogs activity based on their DNA minor groove complexes.

    Science.gov (United States)

    Zołek, Teresa; Maciejewska, Dorota

    2010-05-01

    The B-DNA binding property of pentamidine analogs was analyzed employing molecular dynamic simulations and UV-vis absorption spectroscopy. Their AATT and ATAT sequence preferences were also examined. In theoretical energy computations, we considered two solvation models: the implicit model I, where the solvent is characterized by a dielectric constant and the explicit model E, where water molecules are treated as discrete entities. The binding energy correlates well with the increase of melting temperature of the 5'-d(CGCGAATTCGCG)(2)-3' and 5'-d(CGCGATATCGCG)(2)-3' dodecamers after complexation with ligands (DeltaTm), and deduced models predicted adequately the DNA affinities of the studied diamidines.

  10. Influence of material models on theoretical forming limit diagram prediction for Ti-6Al-4V alloy under warm condition%材料模型对高温Ti-6Al-4V合金理论成形极限图预测的影响

    Institute of Scientific and Technical Information of China (English)

    Nitin KOTKUNDE; Sashank SRINIVASAN; Geetha KRISHNA; Amit Kumar GUPTA; Swadesh Kumar SINGH

    2016-01-01

    成形极限图是一种用来描述使板材不发生局部颈缩所需最大主应变的重要图形。它是一种预测板材变形过程中变形极限的方便、有效的工具。本研究中,在400°C和不同样品宽度的条件,通过Nakazima实验得到了Ti−6Al−4V合金的成形极限图。此外,为了使用成形极限图对材料参数进行理论预测,提出了不同的各向异性屈服准则(Barlat 1989, Barlat 1996, Hill 1993)和不同的硬化模型(Hollomon幂定律、Johnson−Cook(JC)模型、改进的Zerilli−Armstrong (m-ZA)和Arrhenius (m-Arr)模型)。结合所提出的屈服准则和本构模型,通过Marciniak和Kuczynski (M−K)理论确定了Ti−6Al−4V合金的成形极限图。结果表明:屈服模型对材料成形极限图的影响大于本构模型的影响。然而,材料的厚度缺陷系数(f0)与其硬化模型密切相关。Hill(1993)屈服准则最适合于成形极限图右边区域的预测,而Barlat(1989)屈服准最适合于成形极限图左边区域的预测。由于所得到的混合理论成形极限图兼具Barlat(1989)和Hill(1993)屈服模型和m-Arr硬化模型的优点,因此,它与实验得到的成形极限图吻合很好。%Forming limit diagram (FLD) is an important performance index to describe the maximum limit of principal strains that can be sustained by sheet metals till to the onset of localized necking. It offers a convenient and useful tool to predict the forming limit in the sheet metal forming processes. In the present study, FLD has been determined experimentally for Ti−6Al−4V alloy at 400 °C by conducting a Nakazima test with specimens of different widths. Additionally, for theoretical FLD prediction, various anisotropic yield criteria (Barlat 1989, Barlat 1996, Hill 1993) and different hardening models viz., Hollomon power law (HPL), Johnson−Cook (JC), modified Zerilli–Armstrong (m-ZA), modified Arrhenius (m-Arr) models have been developed. Theoretical

  11. Motion of a Granular Avalanche in an Exponentially Curved Chute: Experiments and Theoretical Predictions

    Science.gov (United States)

    Hutter, Kolumban; Koch, Thilo

    1991-01-01

    determined. The former was identified with the static internal angle of friction. Using a second measuring technique, the effects of the chute walls on the bed friction angle was experimentally determined and incorporated in an effective bed friction angle which thus showed a linear dependence on the pile depth. Coefficients of restitution were also estimated for the particles on the different bed linings. The numerical integration scheme for the general model that was proposed earlier by Savage & Hutter (1989) is a lagrangian finite difference scheme which incorporates numerical diffusion. We present this scheme and analyse its reliability when the numerical diffusion is varied. We also discuss the integration procedure for the similarity solutions. Comparison of the theoretical results with experiments pertain to the similarity model (SM) and the general equation model (GM). Crucial in such comparisons is the identification of initial condition which is not unique from the observational data. For SM it is shown that no initial condition can be found, in general, that would yield computational predictions of the evolution of the position of the leading and trailing edges of the granular avalanche in sufficient agreement with observations. When depth-to-length ratios of the initial pile geometry and the curvature of the bed are sufficiently small, however, then the SM solutions may be used for diagnostic purposes. We finally compare experimental results with computational findings of the GM equations for many combinations of masses of the granular materials and bed linings. It is found that experimental results and theoretical predictions agree satisfactorily if the internal angle of friction, φ , exceeds the total bed friction angle, δ , or is not close to it. Limited variations of the bed friction angle along the bed do not seem to have a sizeable effect on the computational results, but it is important that dynamic values rather than static values for φ and δ are used

  12. Predictive modelling of ferroelectric tunnel junctions

    Science.gov (United States)

    Velev, Julian P.; Burton, John D.; Zhuravlev, Mikhail Ye; Tsymbal, Evgeny Y.

    2016-05-01

    Ferroelectric tunnel junctions combine the phenomena of quantum-mechanical tunnelling and switchable spontaneous polarisation of a nanometre-thick ferroelectric film into novel device functionality. Switching the ferroelectric barrier polarisation direction produces a sizable change in resistance of the junction—a phenomenon known as the tunnelling electroresistance effect. From a fundamental perspective, ferroelectric tunnel junctions and their version with ferromagnetic electrodes, i.e., multiferroic tunnel junctions, are testbeds for studying the underlying mechanisms of tunnelling electroresistance as well as the interplay between electric and magnetic degrees of freedom and their effect on transport. From a practical perspective, ferroelectric tunnel junctions hold promise for disruptive device applications. In a very short time, they have traversed the path from basic model predictions to prototypes for novel non-volatile ferroelectric random access memories with non-destructive readout. This remarkable progress is to a large extent driven by a productive cycle of predictive modelling and innovative experimental effort. In this review article, we outline the development of the ferroelectric tunnel junction concept and the role of theoretical modelling in guiding experimental work. We discuss a wide range of physical phenomena that control the functional properties of ferroelectric tunnel junctions and summarise the state-of-the-art achievements in the field.

  13. Theoretical predictions of transverse kinematic imbalance in neutrino-nucleus interactions

    CERN Document Server

    Pickering, Luke

    2016-01-01

    Distributions of transverse kinematic imbalance in neutrino-nucleus interactions in the few GeV regime are sensitive to nuclear effects. We present a study comparing the latest predictions of transverse kinematic imbalance from the interaction simulations, NuWro and GENIE. We dis- cuss the differences between the model predictions.

  14. Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

    KAUST Repository

    Kalligiannaki, Evangelia

    2015-01-07

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

  15. A theoretical model of multi-agent quantum computing

    Science.gov (United States)

    Mihelic, F. Matthew

    2011-05-01

    The best design for practical quantum computing is one that emulates the multi-agent quantum logic function of natural biological systems. Such systems are theorized to be based upon a quantum gate formed by a nucleic acid Szilard engine (NASE) that converts Shannon entropy of encountered molecules into useful work of nucleic acid geometric reconfiguration. This theoretical mechanism is logically and thermodynamically reversible in this special case because it is literally constructed out of the (nucleic acid) information necessary for its function, thereby allowing the nucleic acid Szilard engine to function reversibly because, since the information by which it functions exists on both sides of the theoretical mechanism simultaneously, there would be no build-up of information within the theoretical mechanism, and therefore no irreversible thermodynamic energy cost would be necessary to erase information inside the mechanism. This symmetry breaking Szilard engine function is associated with emission and/or absorption of entangled photons that can provide quantum synchronization of other nucleic acid segments within and between cells. In this manner nucleic acids can be considered as a natural model of topological quantum computing in which the nonabelian interaction of genes can be represented within quantum knot/braid theory as anyon crosses determined by entropic loss or gain that leads to changes in nucleic acid covalent bond angles. This naturally occurring biological form of topological quantum computing can serve as a model for workable man-made multi-agent quantum computing systems.

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

    Directory of Open Access Journals (Sweden)

    Asin Javier D

    2010-03-01

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

  17. Polarisers in the focal domain: Theoretical model and experimental validation

    Science.gov (United States)

    Martínez-Herrero, Rosario; Maluenda, David; Juvells, Ignasi; Carnicer, Artur

    2017-02-01

    Polarisers are one of the most widely used devices in optical set-ups. They are commonly used with paraxial beams that propagate in the normal direction of the polariser plane. Nevertheless, the conventional projection character of these devices may change when the beam impinges a polariser with a certain angle of incidence. This effect is more noticeable if polarisers are used in optical systems with a high numerical aperture, because multiple angles of incidence have to be taken into account. Moreover, the non-transverse character of highly focused beams makes the problem more complex and strictly speaking, the Malus’ law does not apply. In this paper we develop a theoretical framework to explain how ideal polarisers affect the behavior of highly focused fields. In this model, the polarisers are considered as birefringent plates, and the vector behaviour of focused fields is described using the plane-wave angular spectrum approach. Experiments involving focused fields were conducted to verify the theoretical model and a satisfactory agreement between theoretical and experimental results was found.

  18. The creep experiment and theoretical model analysis of gascontaining coal

    Institute of Scientific and Technical Information of China (English)

    YIN Guang-zhi; ZHANG Dong-ming; WANG Wei-zhong

    2007-01-01

    A creep experiment of preformed molding coal under different confining pressures were carried out using self-developed 3-triaxial creep loading device for gas-containing coal, which loaded by Shimadzu AGI-250 kN electrical servo-controlled stiffness testing machine. Based on the experimental results, the variation trend of axial deformation under different stress states was studied, and creep failure characteristics of gascontaining coal under different confining pressures were analyzed. The experimental results were identified with seven-component nonlinear viscoelasto-plastic creep model (Hohai model), and the creep material parameters were obtained. The experimental result complies well with the theoretical value of this model. It indicates that creep constitutive relation of gas-containing coal can be expressed by nonlinear viscoelasto-plastic creep model correctly.

  19. A Game-Theoretic Model for Distributed Programming by Contract

    DEFF Research Database (Denmark)

    Henriksen, Anders Starcke; Hvitved, Tom; Filinski, Andrzej

    2009-01-01

    We present an extension of the programming-by-contract (PBC) paradigm to a concurrent and distributed environment.  Classical PBC is characterized by absolute conformance of code to its specification, assigning blame in case of failures, and a hierarchical, cooperative decomposition model – none...... of which extend naturally to a distributed environment with multiple administrative peers. We therefore propose a more nuanced contract model based on quantifiable performance of implementations; assuming responsibility for success; and a fundamentally adversarial model of system integration, where each...... component provider is optimizing its behavior locally, with respect to potentially conflicting demands.  This model gives rise to a game-theoretic formulation of contract-governed process interactions that supports compositional reasoning about contract conformance....

  20. PREDICT : model for prediction of survival in localized prostate cancer

    NARCIS (Netherlands)

    Kerkmeijer, Linda G W; Monninkhof, Evelyn M.; van Oort, Inge M.; van der Poel, Henk G.; de Meerleer, Gert; van Vulpen, Marco

    2016-01-01

    Purpose: Current models for prediction of prostate cancer-specific survival do not incorporate all present-day interventions. In the present study, a pre-treatment prediction model for patients with localized prostate cancer was developed.Methods: From 1989 to 2008, 3383 patients were treated with I

  1. Comparing theoretical models of our galaxy with observations

    Directory of Open Access Journals (Sweden)

    Johnston K.V.

    2012-02-01

    Full Text Available With the advent of large scale observational surveys to map out the stars in our galaxy, there is a need for an efficient tool to compare theoretical models of our galaxy with observations. To this end, we describe here the code Galaxia, which uses efficient and fast algorithms for creating a synthetic survey of the Milky Way, and discuss its uses. Given one or more observational constraints like the color-magnitude bounds, a survey size and geometry, Galaxia returns a catalog of stars in accordance with a given theoretical model of the Milky Way. Both analytic and N-body models can be sampled by Galaxia. For N-body models, we present a scheme that disperses the stars spawned by an N-body particle, in such a way that the phase space density of the spawned stars is consistent with that of the N-body particles. The code is ideally suited to generating synthetic data sets that mimic near future wide area surveys such as GAIA, LSST and HERMES. In future, we plan to release the code publicly at http://galaxia.sourceforge.net. As an application of the code, we study the prospect of identifying structures in the stellar halo with future surveys that will have velocity information about the stars.

  2. Theoretical consideration of a microcontinuum model of graphene

    Directory of Open Access Journals (Sweden)

    Gang Yang

    2016-05-01

    Full Text Available A microcontinuum model of graphene is proposed based on micromorphic theory, in which the planar Bravais cell of graphene crystal is taken as the basal element of finite size. Governing equations including the macro-displacements and the micro-deformations of the basal element are modified and derived in global coordinates. Since independent freedom degrees of the basal element are closely related to the modes of phonon dispersions, the secular equations in micromorphic form are obtained by substituting the assumed harmonic wave equations into the governing equations, and simplified further according to the properties of phonon dispersion relations of two-dimensional (2D crystals. Thus, the constitutive equations of the microcontinuum model are confirmed, in which the constitutive constants are determined by fitting the data of experimental and theoretical phonon dispersion relations in literature respectively. By employing the 2D microcontinuum model, we obtained sound velocities, Rayleigh velocity and elastic moduli of graphene, which show good agreements with available experimental or theoretical values, indicating that the current model would be another efficient and reliable methodology to study the mechanical behaviors of graphene.

  3. 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.

  4. Theoretical prediction of familial amyotrophic lateral sclerosis missense mutation effects on Cu/Zn superoxide dismutase structural stability

    Energy Technology Data Exchange (ETDEWEB)

    Potier, M.; Tu, Y. [Universite de Montreal, Quebec (Canada)

    1994-09-01

    Cu/Zn superoxide dismutase (SOD) deficiency is associated with the progressive paralytic disorder familial amyotrophic lateral sclerosis (FALS). Fifteen missense mutations in the SOD gene were identified in several patients. These mutations may prevent correct promoter folding or hamper homodimer formation necessary for SOD activity. To understand the effect of the missense mutations on SOD structure and function, we used a theoretical analysis of structural effects based on two predictive methods using the modeled tertiary structure of human SOD. The first method uses the TORSO program which optimizes amino acid side-chains repacking in both wild-type and mutant SODs and calculates protein internal packing energy. The second method uses a hydrophobicity scale of the amino acid residues and considers both solvent accessibility and hydrophobic nature of residue substitutions to compute a stabilization energy change ({delta}E). These predictive methods have been tested in 187 single and multiple missense mutants of 8 proteins (T4 lysozyme, human carbonic anhydrase II, chymotrypsin inhibitor 2, f1 gene V protein, barnase, {lambda}-repressor, chicken and human lysozymes) with experimentally determined thermostability. The overall prediction accuracy with these proteins was 88%. Analysis of FALS missense mutations {delta}E predicts that 14 of 15 mutations destabilize the SOD structure. The other missense mutation is located at the homodimer interface and may hinder dimer formation. This approach is applicable to any protein with known tertiary structure to predict missense mutation effects on protein stability.

  5. Lamb Shift in Muonic Hydrogen. I. Verification and Update of Theoretical Predictions

    CERN Document Server

    Jentschura, U D

    2010-01-01

    In view of the recently observed discrepancy of theory and experiment for muonic hydrogen [R. Pohl et al., Nature vol. 466, p. 213 (2010)], 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 _2 in the determination of the proton radius from the measurement is estimated. An updated theoretical prediction for the 2S-2P transition is given.

  6. Information-Theoretic Measures Predict the Human Judgment of Rhythm Complexity.

    Science.gov (United States)

    de Fleurian, Remi; Blackwell, Tim; Ben-Tal, Oded; Müllensiefen, Daniel

    2017-04-01

    To formalize the human judgment of rhythm complexity, we used five measures from information theory and algorithmic complexity to measure the complexity of 48 artificially generated rhythmic sequences. We compared these measurements to human prediction accuracy and easiness judgments obtained from a listening experiment, in which 32 participants guessed the last beat of each sequence. We also investigated the modulating effects of musical expertise and general pattern identification ability. Entropy rate and Kolmogorov complexity were correlated with prediction accuracy, and highly correlated with easiness judgments. A logistic regression showed main effects of musical training, entropy rate, and Kolmogorov complexity, and an interaction between musical training and both entropy rate and Kolmogorov complexity. These results indicate that information-theoretic concepts capture some salient features of the human judgment of rhythm complexity, and they confirm the influence of musical expertise on complexity judgments. Copyright © 2016 Cognitive Science Society, Inc.

  7. Theoretical prediction of gold vein location in deposits originated by a wall magma intrusion

    Science.gov (United States)

    Martin, Pablo; Maass-Artigas, Fernando; Cortés-Vega, Luis

    2016-05-01

    The isotherm time-evolution resulting from the intrusion of a hot dike in a cold rock is analized considering the general case of nonvertical walls. This is applied to the theoretical prediction of the gold veins location due to isothermal evolution. As in previous treatments earth surface effects are considered and the gold veins are determined by the envelope of the isotherms. The locations of the gold veins in the Callao mines of Venezuela are now well predicted. The new treatment is now more elaborated and complex that in the case of vertical walls, performed in previous papers, but it is more adequated to the real cases as the one in El Callao, where the wall is not vertical.

  8. Critical conceptualism in environmental modeling and prediction.

    Science.gov (United States)

    Christakos, G

    2003-10-15

    Many important problems in environmental science and engineering are of a conceptual nature. Research and development, however, often becomes so preoccupied with technical issues, which are themselves fascinating, that it neglects essential methodological elements of conceptual reasoning and theoretical inquiry. This work suggests that valuable insight into environmental modeling can be gained by means of critical conceptualism which focuses on the software of human reason and, in practical terms, leads to a powerful methodological framework of space-time modeling and prediction. A knowledge synthesis system develops the rational means for the epistemic integration of various physical knowledge bases relevant to the natural system of interest in order to obtain a realistic representation of the system, provide a rigorous assessment of the uncertainty sources, generate meaningful predictions of environmental processes in space-time, and produce science-based decisions. No restriction is imposed on the shape of the distribution model or the form of the predictor (non-Gaussian distributions, multiple-point statistics, and nonlinear models are automatically incorporated). The scientific reasoning structure underlying knowledge synthesis involves teleologic criteria and stochastic logic principles which have important advantages over the reasoning method of conventional space-time techniques. Insight is gained in terms of real world applications, including the following: the study of global ozone patterns in the atmosphere using data sets generated by instruments on board the Nimbus 7 satellite and secondary information in terms of total ozone-tropopause pressure models; the mapping of arsenic concentrations in the Bangladesh drinking water by assimilating hard and soft data from an extensive network of monitoring wells; and the dynamic imaging of probability distributions of pollutants across the Kalamazoo river.

  9. An information theoretic approach for combining neural network process models.

    Science.gov (United States)

    Sridhar, D V.; Bartlett, E B.; Seagrave, R C.

    1999-07-01

    Typically neural network modelers in chemical engineering focus on identifying and using a single, hopefully optimal, neural network model. Using a single optimal model implicitly assumes that one neural network model can extract all the information available in a given data set and that the other candidate models are redundant. In general, there is no assurance that any individual model has extracted all relevant information from the data set. Recently, Wolpert (Neural Networks, 5(2), 241 (1992)) proposed the idea of stacked generalization to combine multiple models. Sridhar, Seagrave and Barlett (AIChE J., 42, 2529 (1996)) implemented the stacked generalization for neural network models by integrating multiple neural networks into an architecture known as stacked neural networks (SNNs). SNNs consist of a combination of the candidate neural networks and were shown to provide improved modeling of chemical processes. However, in Sridhar's work SNNs were limited to using a linear combination of artificial neural networks. While a linear combination is simple and easy to use, it can utilize only those model outputs that have a high linear correlation to the output. Models that are useful in a nonlinear sense are wasted if a linear combination is used. In this work we propose an information theoretic stacking (ITS) algorithm for combining neural network models. The ITS algorithm identifies and combines useful models regardless of the nature of their relationship to the actual output. The power of the ITS algorithm is demonstrated through three examples including application to a dynamic process modeling problem. The results obtained demonstrate that the SNNs developed using the ITS algorithm can achieve highly improved performance as compared to selecting and using a single hopefully optimal network or using SNNs based on a linear combination of neural networks.

  10. A Comparison Between Measured and Predicted Hydrodynamic Damping for a Jack-Up Rig Model

    DEFF Research Database (Denmark)

    Laursen, Thomas; Rohbock, Lars; Jensen, Jørgen Juncher

    1996-01-01

    methods.In the comparison between the model test results and the theoretical predictions, thehydro-dynamic damping proves to be the most important uncertain parameter. It is shown thata relative large hydrodynamic damping must be assumed in the theoretical calculations in orderto predict the measured...

  11. Sub-millimeter Spatial Oscillations of Newton's Constant: Theoretical Models and Laboratory Tests

    CERN Document Server

    Perivolaropoulos, Leandros

    2016-01-01

    We investigate the viability of sub-millimeter wavelength oscillating deviations from the Newtonian potential at both the theoretical and the experimental/observational level. At the theoretical level such deviations are generic predictions in a wide range of extensions of General Relativity (GR) including $f(R)$ theories, massive Brans-Dicke (BD)- scalar tensor theories, compactified extra dimension models and nonlocal extensions of GR. However, the range of parameters associated with such oscillating deviations is usually connected with instabilities present at the perturbative level. An important exception emerges in nonlocal gravity theories where oscillating deviations from Newtonian potential occur naturally on sub-millimeter scales without any instabilities. As an example of a model with unstable Newtonian oscillations we review an $f(R)$ expansion around General Relativity of the form $f(R)=R+\\frac{1}{6 m^2} R^2$ with $m^2<0$ pointing out possible stabilization mechanisms. As an example of a model ...

  12. Improving statistical reasoning theoretical models and practical implications

    CERN Document Server

    Sedlmeier, Peter

    1999-01-01

    This book focuses on how statistical reasoning works and on training programs that can exploit people''s natural cognitive capabilities to improve their statistical reasoning. Training programs that take into account findings from evolutionary psychology and instructional theory are shown to have substantially larger effects that are more stable over time than previous training regimens. The theoretical implications are traced in a neural network model of human performance on statistical reasoning problems. This book apppeals to judgment and decision making researchers and other cognitive scientists, as well as to teachers of statistics and probabilistic reasoning.

  13. Theoretical Models and Operational Frameworks in Public Health Ethics

    Science.gov (United States)

    Petrini, Carlo

    2010-01-01

    The article is divided into three sections: (i) an overview of the main ethical models in public health (theoretical foundations); (ii) a summary of several published frameworks for public health ethics (practical frameworks); and (iii) a few general remarks. Rather than maintaining the superiority of one position over the others, the main aim of the article is to summarize the basic approaches proposed thus far concerning the development of public health ethics by describing and comparing the various ideas in the literature. With this in mind, an extensive list of references is provided. PMID:20195441

  14. Theoretical Models and Operational Frameworks in Public Health Ethics

    Directory of Open Access Journals (Sweden)

    Carlo Petrini

    2010-01-01

    Full Text Available The article is divided into three sections: (i an overview of the main ethical models in public health (theoretical foundations; (ii a summary of several published frameworks for public health ethics (practical frameworks; and (iii a few general remarks. Rather than maintaining the superiority of one position over the others, the main aim of the article is to summarize the basic approaches proposed thus far concerning the development of public health ethics by describing and comparing the various ideas in the literature. With this in mind, an extensive list of references is provided.

  15. Information Theoretic Authentication and Secrecy Codes in the Splitting Model

    CERN Document Server

    Huber, Michael

    2011-01-01

    In the splitting model, information theoretic authentication codes allow non-deterministic encoding, that is, several messages can be used to communicate a particular plaintext. Certain applications require that the aspect of secrecy should hold simultaneously. Ogata-Kurosawa-Stinson-Saido (2004) have constructed optimal splitting authentication codes achieving perfect secrecy for the special case when the number of keys equals the number of messages. In this paper, we establish a construction method for optimal splitting authentication codes with perfect secrecy in the more general case when the number of keys may differ from the number of messages. To the best knowledge, this is the first result of this type.

  16. A survey of game-theoretic models of cooperative advertising

    DEFF Research Database (Denmark)

    Jørgensen, Steffen; Zaccour, G.

    2014-01-01

    The paper surveys the literature on cooperative advertising in marketing channels (supply chains) using game theoretic methods. During the last decade, in particular, this literature has expanded considerably and has studied static as well as dynamic settings. The survey is divided into two main...... environments. We also find that the work on static models is quite homogeneous, in the sense that most papers employ the same basic consumer demand specification and address the same situations of vertical integration and noncooperative games with simultaneous or sequential actions. The work on dynamic...

  17. Experimental and theoretical models of human cultural evolution.

    Science.gov (United States)

    Kempe, Marius; Mesoudi, Alex

    2014-05-01

    The modern field of cultural evolution is now over 30 years old, and an extensive body of theory and data has been amassed. This article reviews models of cultural evolution, both experimental and theoretical, and surveys what they can tell us about cultural evolutionary processes. The models are grouped according to which of four broad questions they address: (1) How are cultural traits changed during transmission? (2) How and why do cultural traits accumulate over time? (3) What social learning biases do people use? and (4) What are the population-level consequences of different social learning biases? We conclude by highlighting gaps in the literature and promising future research directions, including the further integration of theoretical models and experimental data, the identification of the factors underlying cumulative cultural evolution, and the explanation of individual and cultural variation in social learning biases. For further resources related to this article, please visit the WIREs website. The authors have declared no conflicts of interest for this article. © 2014 John Wiley & Sons, Ltd.

  18. Theoretical modeling techniques and their impact on tumor immunology.

    Science.gov (United States)

    Woelke, Anna Lena; Murgueitio, Manuela S; Preissner, Robert

    2010-01-01

    Currently, cancer is one of the leading causes of death in industrial nations. While conventional cancer treatment usually results in the patient suffering from severe side effects, immunotherapy is a promising alternative. Nevertheless, some questions remain unanswered with regard to using immunotherapy to treat cancer hindering it from being widely established. To help rectify this deficit in knowledge, experimental data, accumulated from a huge number of different studies, can be integrated into theoretical models of the tumor-immune system interaction. Many complex mechanisms in immunology and oncology cannot be measured in experiments, but can be analyzed by mathematical simulations. Using theoretical modeling techniques, general principles of tumor-immune system interactions can be explored and clinical treatment schedules optimized to lower both tumor burden and side effects. In this paper, we aim to explain the main mathematical and computational modeling techniques used in tumor immunology to experimental researchers and clinicians. In addition, we review relevant published work and provide an overview of its impact to the field.

  19. Theoretical models for coronary vascular biomechanics: Progress & challenges

    Science.gov (United States)

    Waters, Sarah L.; Alastruey, Jordi; Beard, Daniel A.; Bovendeerd, Peter H.M.; Davies, Peter F.; Jayaraman, Girija; Jensen, Oliver E.; Lee, Jack; Parker, Kim H.; Popel, Aleksander S.; Secomb, Timothy W.; Siebes, Maria; Sherwin, Spencer J.; Shipley, Rebecca J.; Smith, Nicolas P.; van de Vosse, Frans N.

    2013-01-01

    A key aim of the cardiac Physiome Project is to develop theoretical models to simulate the functional behaviour of the heart under physiological and pathophysiological conditions. Heart function is critically dependent on the delivery of an adequate blood supply to the myocardium via the coronary vasculature. Key to this critical function of the coronary vasculature is system dynamics that emerge via the interactions of the numerous constituent components at a range of spatial and temporal scales. Here, we focus on several components for which theoretical approaches can be applied, including vascular structure and mechanics, blood flow and mass transport, flow regulation, angiogenesis and vascular remodelling, and vascular cellular mechanics. For each component, we summarise the current state of the art in model development, and discuss areas requiring further research. We highlight the major challenges associated with integrating the component models to develop a computational tool that can ultimately be used to simulate the responses of the coronary vascular system to changing demands and to diseases and therapies. PMID:21040741

  20. Self-Assembled Magnetic Surface Swimmers: Theoretical Model

    Science.gov (United States)

    Aranson, Igor; Belkin, Maxim; Snezhko, Alexey

    2009-03-01

    The mechanisms of self-propulsion of living microorganisms are a fascinating phenomenon attracting enormous attention in the physics community. A new type of self-assembled micro-swimmers, magnetic snakes, is an excellent tool to model locomotion in a simple table-top experiment. The snakes self-assemble from a dispersion of magnetic microparticles suspended on the liquid-air interface and subjected to an alternating magnetic field. Formation and dynamics of these swimmers are captured in the framework of theoretical model coupling paradigm equation for the amplitude of surface waves, conservation law for the density of particles, and the Navier-Stokes equation for hydrodynamic flows. The results of continuum modeling are supported by hybrid molecular dynamics simulations of magnetic particles floating on the surface of fluid.

  1. Predictive Modeling of Cardiac Ischemia

    Science.gov (United States)

    Anderson, Gary T.

    1996-01-01

    The goal of the Contextual Alarms Management System (CALMS) project is to develop sophisticated models to predict the onset of clinical cardiac ischemia before it occurs. The system will continuously monitor cardiac patients and set off an alarm when they appear about to suffer an ischemic episode. The models take as inputs information from patient history and combine it with continuously updated information extracted from blood pressure, oxygen saturation and ECG lines. Expert system, statistical, neural network and rough set methodologies are then used to forecast the onset of clinical ischemia before it transpires, thus allowing early intervention aimed at preventing morbid complications from occurring. The models will differ from previous attempts by including combinations of continuous and discrete inputs. A commercial medical instrumentation and software company has invested funds in the project with a goal of commercialization of the technology. The end product will be a system that analyzes physiologic parameters and produces an alarm when myocardial ischemia is present. If proven feasible, a CALMS-based system will be added to existing heart monitoring hardware.

  2. Graph theoretical model of a sensorimotor connectome in zebrafish.

    Directory of Open Access Journals (Sweden)

    Michael Stobb

    Full Text Available Mapping the detailed connectivity patterns (connectomes of neural circuits is a central goal of neuroscience. The best quantitative approach to analyzing connectome data is still unclear but graph theory has been used with success. We present a graph theoretical model of the posterior lateral line sensorimotor pathway in zebrafish. The model includes 2,616 neurons and 167,114 synaptic connections. Model neurons represent known cell types in zebrafish larvae, and connections were set stochastically following rules based on biological literature. Thus, our model is a uniquely detailed computational representation of a vertebrate connectome. The connectome has low overall connection density, with 2.45% of all possible connections, a value within the physiological range. We used graph theoretical tools to compare the zebrafish connectome graph to small-world, random and structured random graphs of the same size. For each type of graph, 100 randomly generated instantiations were considered. Degree distribution (the number of connections per neuron varied more in the zebrafish graph than in same size graphs with less biological detail. There was high local clustering and a short average path length between nodes, implying a small-world structure similar to other neural connectomes and complex networks. The graph was found not to be scale-free, in agreement with some other neural connectomes. An experimental lesion was performed that targeted three model brain neurons, including the Mauthner neuron, known to control fast escape turns. The lesion decreased the number of short paths between sensory and motor neurons analogous to the behavioral effects of the same lesion in zebrafish. This model is expandable and can be used to organize and interpret a growing database of information on the zebrafish connectome.

  3. Graph theoretical model of a sensorimotor connectome in zebrafish.

    Science.gov (United States)

    Stobb, Michael; Peterson, Joshua M; Mazzag, Borbala; Gahtan, Ethan

    2012-01-01

    Mapping the detailed connectivity patterns (connectomes) of neural circuits is a central goal of neuroscience. The best quantitative approach to analyzing connectome data is still unclear but graph theory has been used with success. We present a graph theoretical model of the posterior lateral line sensorimotor pathway in zebrafish. The model includes 2,616 neurons and 167,114 synaptic connections. Model neurons represent known cell types in zebrafish larvae, and connections were set stochastically following rules based on biological literature. Thus, our model is a uniquely detailed computational representation of a vertebrate connectome. The connectome has low overall connection density, with 2.45% of all possible connections, a value within the physiological range. We used graph theoretical tools to compare the zebrafish connectome graph to small-world, random and structured random graphs of the same size. For each type of graph, 100 randomly generated instantiations were considered. Degree distribution (the number of connections per neuron) varied more in the zebrafish graph than in same size graphs with less biological detail. There was high local clustering and a short average path length between nodes, implying a small-world structure similar to other neural connectomes and complex networks. The graph was found not to be scale-free, in agreement with some other neural connectomes. An experimental lesion was performed that targeted three model brain neurons, including the Mauthner neuron, known to control fast escape turns. The lesion decreased the number of short paths between sensory and motor neurons analogous to the behavioral effects of the same lesion in zebrafish. This model is expandable and can be used to organize and interpret a growing database of information on the zebrafish connectome.

  4. Models Predicting Success of Infertility Treatment: A Systematic Review

    Science.gov (United States)

    Zarinara, Alireza; Zeraati, Hojjat; Kamali, Koorosh; Mohammad, Kazem; Shahnazari, Parisa; Akhondi, Mohammad Mehdi

    2016-01-01

    Background: Infertile couples are faced with problems that affect their marital life. Infertility treatment is expensive and time consuming and occasionally isn’t simply possible. Prediction models for infertility treatment have been proposed and prediction of treatment success is a new field in infertility treatment. Because prediction of treatment success is a new need for infertile couples, this paper reviewed previous studies for catching a general concept in applicability of the models. Methods: This study was conducted as a systematic review at Avicenna Research Institute in 2015. Six data bases were searched based on WHO definitions and MESH key words. Papers about prediction models in infertility were evaluated. Results: Eighty one papers were eligible for the study. Papers covered years after 1986 and studies were designed retrospectively and prospectively. IVF prediction models have more shares in papers. Most common predictors were age, duration of infertility, ovarian and tubal problems. Conclusion: Prediction model can be clinically applied if the model can be statistically evaluated and has a good validation for treatment success. To achieve better results, the physician and the couples’ needs estimation for treatment success rate were based on history, the examination and clinical tests. Models must be checked for theoretical approach and appropriate validation. The privileges for applying the prediction models are the decrease in the cost and time, avoiding painful treatment of patients, assessment of treatment approach for physicians and decision making for health managers. The selection of the approach for designing and using these models is inevitable. PMID:27141461

  5. Numerical weather prediction model tuning via ensemble prediction system

    Science.gov (United States)

    Jarvinen, H.; Laine, M.; Ollinaho, P.; Solonen, A.; Haario, H.

    2011-12-01

    This paper discusses a novel approach to tune predictive skill of numerical weather prediction (NWP) models. NWP models contain tunable parameters which appear in parameterizations schemes of sub-grid scale physical processes. Currently, numerical values of these parameters are specified manually. In a recent dual manuscript (QJRMS, revised) we developed a new concept and method for on-line estimation of the NWP model parameters. The EPPES ("Ensemble prediction and parameter estimation system") method requires only minimal changes to the existing operational ensemble prediction infra-structure and it seems very cost-effective because practically no new computations are introduced. The approach provides an algorithmic decision making tool for model parameter optimization in operational NWP. In EPPES, statistical inference about the NWP model tunable parameters is made by (i) generating each member of the ensemble of predictions using different model parameter values, drawn from a proposal distribution, and (ii) feeding-back the relative merits of the parameter values to the proposal distribution, based on evaluation of a suitable likelihood function against verifying observations. In the presentation, the method is first illustrated in low-order numerical tests using a stochastic version of the Lorenz-95 model which effectively emulates the principal features of ensemble prediction systems. The EPPES method correctly detects the unknown and wrongly specified parameters values, and leads to an improved forecast skill. Second, results with an atmospheric general circulation model based ensemble prediction system show that the NWP model tuning capacity of EPPES scales up to realistic models and ensemble prediction systems. Finally, a global top-end NWP model tuning exercise with preliminary results is published.

  6. Bridging the gap between theoretical ecology and real ecosystems: modeling invertebrate community composition in streams.

    Science.gov (United States)

    Schuwirth, Nele; Reichert, Peter

    2013-02-01

    For the first time, we combine concepts of theoretical food web modeling, the metabolic theory of ecology, and ecological stoichiometry with the use of functional trait databases to predict the coexistence of invertebrate taxa in streams. We developed a mechanistic model that describes growth, death, and respiration of different taxa dependent on various environmental influence factors to estimate survival or extinction. Parameter and input uncertainty is propagated to model results. Such a model is needed to test our current quantitative understanding of ecosystem structure and function and to predict effects of anthropogenic impacts and restoration efforts. The model was tested using macroinvertebrate monitoring data from a catchment of the Swiss Plateau. Even without fitting model parameters, the model is able to represent key patterns of the coexistence structure of invertebrates at sites varying in external conditions (litter input, shading, water quality). This confirms the suitability of the model concept. More comprehensive testing and resulting model adaptations will further increase the predictive accuracy of the model.

  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. An Oriented-Eddy Collision Model for Turbulence Prediction

    Science.gov (United States)

    2007-06-15

    kinetic energy, K, and dissipation rate, E). There is also a hypothesized algebraic constitutive equation relating these two scalar quantities and the...elliptic relaxation ( Durbin ) have even expanded the predictive scope of these models. Nevertheless, it is well understood at this time, even by CFD users...Publisher, 1993 P.A. Durbin , Near-wall turbulence closure modeling without ’damping functions’, Theoret. Comput. Fluid Dynamics 3, 1-13, 1991. W. C

  9. The irregularities of the sunspot cycle and their theoretical modelling

    CERN Document Server

    Choudhuri, Arnab Rai

    2013-01-01

    The 11-year sunspot cycle has many irregularities, the most promi- nent amongst them being the grand minima when sunspots may not be seen for several cycles. After summarizing the relevant observational data about the irregularities, we introduce the flux transport dynamo model, the currently most successful theoretical model for explaining the 11-year sunspot cycle. Then we analyze the respective roles of nonlinearities and random fluctuations in creating the irregularities. We also discuss how it has recently been realized that the fluctuations in meridional circula- tion also can be a source of irregularities. We end by pointing out that fluctuations in the poloidal field generation and fluctuations in meridional circulation together can explain the occurrences of grand minima.

  10. Theoretical models for Type I and Type II supernova

    Energy Technology Data Exchange (ETDEWEB)

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

    1985-01-01

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

  11. Theoretical model of intravascular paramagnetic tracers effect on tissue relaxation

    DEFF Research Database (Denmark)

    Kjølby, Birgitte Fuglsang; Østergaard, Leif; Kiselev, Valerij G

    2006-01-01

    that the relaxivity of intravascular contrast agents depends significantly on the host tissue. This agrees with experimental data by Johnson et al. (Magn Reson Med 2000;44:909). In particular, the present results suggest a several-fold increase in the relaxivity of Gd-based contrast agents in brain tissue compared...... with bulk blood. The enhancement of relaxation in tissue is due to the contrast in magnetic susceptibility between blood vessels and parenchyma induced by the presence of paramagnetic tracer. Beyond the perfusion measurements, the results can be applied to quantitation of functional MRI and to vessel size......The concentration of MRI tracers cannot be measured directly by MRI and is commonly evaluated indirectly using their relaxation effect. This study develops a comprehensive theoretical model to describe the transverse relaxation in perfused tissue caused by intravascular tracers. The model takes...

  12. A Lifecourse Model of Multimorbidity Resilience: Theoretical and Research Developments.

    Science.gov (United States)

    Wister, Andrew V; Coatta, Katherine L; Schuurman, Nadine; Lear, Scott A; Rosin, Miriam; MacKey, Dawn

    2016-04-01

    The purpose of this article is to advance a Lifecourse Model of Multimorbidity Resilience. It focuses on the ways in which individuals face adversities associated with multimorbidity and regain a sense of wellness through a complex, dynamic phenomenon termed resilience. A comprehensive review of 112 publications (between 1995 and 2015) was conducted using several comprehensive electronic data bases. Two independent researchers extracted and synthesized resilience literature with specific applications to chronic illness. The article outlines five stages of theoretical development of resilience, synthesizes these with the aging and chronic illness literature, builds a rationale for a lifecourse approach to resilience, and applies the model to multimorbidity. Cultivating and maintaining resilience is fundamental to functioning and quality of life for those with multimorbidity. We found that there are a number of gaps in both basic and applied research that need to be filled to advance knowledge and practice based on resilience approaches.

  13. Recent advances in theoretical models of respiratory mechanics

    Institute of Scientific and Technical Information of China (English)

    Bo Huo; Rui-Rong Fu

    2012-01-01

    As an important branch of biomedical engineering,respiratory mechanics helps to understand the physiology of the respiratory system and provides fundamental data for developing such clinical technologies as ventilators.To solve different clinical problems,researchers have developed numerous models at various scales that describe biological and mechanical properties of the respiratory system.During the past decade,benefiting from the continuous accumulation of clinical data and the dramatic progress of biomedical technologies (e.g.biomedical imaging),the theoretical modeling of respiratory mechanics has made remarkable progress regarding the macroscopic properties of the respiratory process,complexities of the respiratory system,gas exchange within the lungs,and the coupling interaction between lung and heart.The present paper reviews the advances in the above fields and proposes potential future projects.

  14. A comparison between theoretical prediction and experimental measurement of the dynamic behavior of spur gears

    Science.gov (United States)

    Rebbechi, Brian; Forrester, B. David; Oswald, Fred B.; Townsend, Dennis P.

    A comparison was made between computer model predictions of gear dynamics behavior and experimental results. The experimental data were derived from the NASA gear noise rig, which was used to record dynamic tooth loads and vibration. The experimental results were compared with predictions from the DSTO Aeronautical Research Laboratory's gear dynamics code for a matrix of 28 load speed points. At high torque the peak dynamic load predictions agree with the experimental results with an average error of 5 percent in the speed range 800 to 6000 rpm. Tooth separation (or bounce), which was observed in the experimental data for light torque, high speed conditions, was simulated by the computer model. The model was also successful in simulating the degree of load sharing between gear teeth in the multiple tooth contact region.

  15. Theoretical modelling of non-symmetric circular piezoelectric bimorphs

    Science.gov (United States)

    Brissaud, Michel

    2006-05-01

    This paper deals with the theoretical modelling of non-symmetric and symmetric circular bimorphs. The model is restricted to the study of flexural vibration modes having radial symmetry (axisymmetry), as is often the case for piezoelectric devices such as MEMs. The calculation of the resonance frequencies and the displacement of the non-symmetric circular bimorph has been carried out and the influence of the elastic and geometric parameters of the cement layer has been introduced into the model. As is shown, the modelling of non-symmetric and symmetric circular bimorphs reduces to the determination of two global quantities: the global rigidity DG and the global Poisson ratio σG of the bimorph which is then equivalent to a homogenous element. Consequently, the results obtained with elastic and homogeneous circular plates can be applied to non-symmetric and symmetric bimorphs with the only condition of using the global DG and σG. The new modelling was applied to bimorph functioning either as an actuator or as a sensor and having a simply supported or clamped edge. The electromechanical coupling factor of flexure modes has been calculated and compared to the radial mode. Comparison between analytical models and simulations using the finite-element method is given and discussed.

  16. Prediction of Catastrophes: an experimental model

    CERN Document Server

    Peters, Randall D; Pomeau, Yves

    2012-01-01

    Catastrophes of all kinds can be roughly defined as short duration-large amplitude events following and followed by long periods of "ripening". Major earthquakes surely belong to the class of 'catastrophic' events. Because of the space-time scales involved, an experimental approach is often difficult, not to say impossible, however desirable it could be. Described in this article is a "laboratory" setup that yields data of a type that is amenable to theoretical methods of prediction. Observations are made of a critical slowing down in the noisy signal of a solder wire creeping under constant stress. This effect is shown to be a fair signal of the forthcoming catastrophe in both of two dynamical models. The first is an "abstract" model in which a time dependent quantity drifts slowly but makes quick jumps from time to time. The second is a realistic physical model for the collective motion of dislocations (the Ananthakrishna set of equations for creep). Hope thus exists that similar changes in the response to ...

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

    Science.gov (United States)

    Awe, O. E.; Oshakuade, O. M.

    2017-02-01

    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.

  18. Prediction of Pressure Drop in Chilled Water Piping System Using Theoretical and CFD Analysis

    Directory of Open Access Journals (Sweden)

    Shirish P. Patil

    2013-08-01

    Full Text Available In the present study, three dimensional models of chilled water piping system is created using design modeler of Ansys-13. Ansys-13 fluent is used to analyses flow through chilled water pipe for pressure drop prediction. Karman-Prandtl equation is used for defining velocity profile of turbulent flow with the help of user defined function. Result obtained from CFD analysis is compared with results of 3K, 2K, ISHARE and Carrier equivalent length methods. Statistical analysis of performance based relative error has been carried out and based on that optimum analytical method for pressure drop prediction in chilled water piping is suggested.

  19. 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.

  20. Theoretical model and optimal design of silicon micromachined ultrasonic imaging transducers

    Institute of Scientific and Technical Information of China (English)

    GE; LiFeng

    2007-01-01

    A theoretical model and mathematical description for silicon micromachined electrostatic or capacitive ultrasonic imaging transducers have been developed. According to the model the basic performance parameters of such a transducer, such as natural frequencies, eigenfunctions, resonance and anti-resonance frequencies, and the mechanical impedance of the diaphragm can be predicted from the geometry of the transducer and property parameters of materials used. The paper reveals that this type of transducers has two basic operation modes, corresponding to the resonance of a mass-spring oscillator comprised of the diaphragm and the air cushion, and the first-order bending mode of the diaphragm itself respectively, and presents an optimal method for extending the bandwidth by making the two modes coupled, and thereby provides a theoretical basis for the optimal design.

  1. Return Predictability, Model Uncertainty, and Robust Investment

    DEFF Research Database (Denmark)

    Lukas, Manuel

    Stock return predictability is subject to great uncertainty. In this paper we use the model confidence set approach to quantify uncertainty about expected utility from investment, accounting for potential return predictability. For monthly US data and six representative return prediction models, we...

  2. Hybrid empirical--theoretical approach to modeling uranium adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Hull, Larry C.; Grossman, Christopher; Fjeld, Robert A.; Coates, John T.; Elzerman, Alan W

    2004-05-01

    An estimated 330 metric tons of U are buried in the radioactive waste Subsurface Disposal Area (SDA) at the Idaho National Engineering and Environmental Laboratory (INEEL). An assessment of U transport parameters is being performed to decrease the uncertainty in risk and dose predictions derived from computer simulations of U fate and transport to the underlying Snake River Plain Aquifer. Uranium adsorption isotherms were measured for 14 sediment samples collected from sedimentary interbeds underlying the SDA. The adsorption data were fit with a Freundlich isotherm. The Freundlich n parameter is statistically identical for all 14 sediment samples and the Freundlich K{sub f} parameter is correlated to sediment surface area (r{sup 2}=0.80). These findings suggest an efficient approach to material characterization and implementation of a spatially variable reactive transport model that requires only the measurement of sediment surface area. To expand the potential applicability of the measured isotherms, a model is derived from the empirical observations by incorporating concepts from surface complexation theory to account for the effects of solution chemistry. The resulting model is then used to predict the range of adsorption conditions to be expected in the vadose zone at the SDA based on the range in measured pore water chemistry. Adsorption in the deep vadose zone is predicted to be stronger than in near-surface sediments because the total dissolved carbonate decreases with depth.

  3. 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.

  4. Activity systems modeling as a theoretical lens for social exchange studies

    Directory of Open Access Journals (Sweden)

    Ernest Jones

    2016-01-01

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

  5. Adding propensity scores to pure prediction models fails to improve predictive performance

    Directory of Open Access Journals (Sweden)

    Amy S. Nowacki

    2013-08-01

    Full Text Available Background. Propensity score usage seems to be growing in popularity leading researchers to question the possible role of propensity scores in prediction modeling, despite the lack of a theoretical rationale. It is suspected that such requests are due to the lack of differentiation regarding the goals of predictive modeling versus causal inference modeling. Therefore, the purpose of this study is to formally examine the effect of propensity scores on predictive performance. Our hypothesis is that a multivariable regression model that adjusts for all covariates will perform as well as or better than those models utilizing propensity scores with respect to model discrimination and calibration.Methods. The most commonly encountered statistical scenarios for medical prediction (logistic and proportional hazards regression were used to investigate this research question. Random cross-validation was performed 500 times to correct for optimism. The multivariable regression models adjusting for all covariates were compared with models that included adjustment for or weighting with the propensity scores. The methods were compared based on three predictive performance measures: (1 concordance indices; (2 Brier scores; and (3 calibration curves.Results. Multivariable models adjusting for all covariates had the highest average concordance index, the lowest average Brier score, and the best calibration. Propensity score adjustment and inverse probability weighting models without adjustment for all covariates performed worse than full models and failed to improve predictive performance with full covariate adjustment.Conclusion. Propensity score techniques did not improve prediction performance measures beyond multivariable adjustment. Propensity scores are not recommended if the analytical goal is pure prediction modeling.

  6. A theoretical model for assessing the sustainability Of ecosystem services

    Institute of Scientific and Technical Information of China (English)

    Feng Ling; Cheng Shengkui; Su Hua; Min Qingwen

    2008-01-01

    The Value of the World's Ecosystem Services and Natural Capital by Costanza in 1997 is generally regarded as a monument for the research of valuing ecosystem services. However, the classification of ecosystem services, the method of various services summation and the purpose for static global value had be confronted by many criticisms. Based on the summary of these criticisms, suggestions, related function assessment and further study direction, the sustainability of ecosystem services is presented The two basic indicators in ecology, productivity and biodiversity, respectively charactering the ability of producing and self-organizing, not only represent the internal function of ecosystem, but also are proportioned to its external function of supporting and providing for human life On presenting the general form of ecosystem services assessment, this paper improves the mathematical formula giving a function adjusting coefficient composed of productivity and biodiversity. Theoretically, the integration of the two indicators reflects the changes of ecosystem services at spatial and temporal scales, can physically assess the sustability of ecosystem services, and build a firm scientific fundament of value assessment for ecosystem services Objectively, its application should be strictly tested in next step.Ecosystem services; theoretical model; Sustainability; Bio-productivity; Biodiversity

  7. Predictive Model Assessment for Count Data

    Science.gov (United States)

    2007-09-05

    critique count regression models for patent data, and assess the predictive performance of Bayesian age-period-cohort models for larynx cancer counts...the predictive performance of Bayesian age-period-cohort models for larynx cancer counts in Germany. We consider a recent suggestion by Baker and...Figure 5. Boxplots for various scores for patent data count regressions. 11 Table 1 Four predictive models for larynx cancer counts in Germany, 1998–2002

  8. Support vector regression model for complex target RCS predicting

    Institute of Scientific and Technical Information of China (English)

    Wang Gu; Chen Weishi; Miao Jungang

    2009-01-01

    The electromagnetic scattering computation has developed rapidly for many years; some computing problems for complex and coated targets cannot be solved by using the existing theory and computing models. A computing model based on data is established for making up the insufficiency of theoretic models. Based on the "support vector regression method", which is formulated on the principle of minimizing a structural risk, a data model to predicate the unknown radar cross section of some appointed targets is given. Comparison between the actual data and the results of this predicting model based on support vector regression method proved that the support vector regression method is workable and with a comparative precision.

  9. Theoretical modeling of iodine value and saponification value of biodiesel fuels from their fatty acid composition

    Energy Technology Data Exchange (ETDEWEB)

    Gopinath, A.; Puhan, Sukumar; Nagarajan, G. [Internal Combustion Engineering Division, Department of Mechanical Engineering, Anna University, Chennai 600 025, Tamil Nadu (India)

    2009-07-15

    Biodiesel is an alternative fuel consisting of alkyl esters of fatty acids from vegetable oils or animal fats. The properties of biodiesel depend on the type of vegetable oil used for the transesterification process. The objective of the present work is to theoretically predict the iodine value and the saponification value of different biodiesels from their fatty acid methyl ester composition. The fatty acid ester compositions and the above values of different biodiesels were taken from the available published data. A multiple linear regression model was developed to predict the iodine value and saponification value of different biodiesels. The predicted results showed that the prediction errors were less than 3.4% compared to the available published data. The predicted values were also verified by substituting in the available published model which was developed to predict the higher heating values of biodiesel fuels from their iodine value and the saponification value. The resulting heating values of biodiesels were then compared with the published heating values and reported. (author)

  10. Spatial Segregation, Redistribution and Welfare: A Theoretical Model

    Directory of Open Access Journals (Sweden)

    Tommaso Gabrieli

    2016-03-01

    Full Text Available This paper develops a theoretical model focusing on the effect that different neighborhood compositions can have on the formation of individual beliefs about economic opportunities. Specifically we highlight two effects that spatial segregation may have: (1 it can efficiently separate the individual effort choices of highly and low productive individuals, (2 it may imply that the median voter imposes a level of redistribution that is inefficient from the aggregate point of view. The trade-off implies that segregated and non-segregated cities may present very similar levels of aggregate welfare. We employ this framework to discuss how the structure of cities can play a role in the determination of US-type and Europe-type politico-economic equilibria and the implications for planning policies.

  11. Exploring a type-theoretic approach to accessibility constraint modelling

    CERN Document Server

    Pogodalla, Sylvain

    2008-01-01

    The type-theoretic modelling of DRT that [degroote06] proposed features continuations for the management of the context in which a clause has to be interpreted. This approach, while keeping the standard definitions of quantifier scope, translates the rules of the accessibility constraints of discourse referents inside the semantic recipes. In this paper, we deal with additional rules for these accessibility constraints. In particular in the case of discourse referents introduced by proper nouns, that negation does not block, and in the case of rhetorical relations that structure discourses. We show how this continuation-based approach applies to those accessibility constraints and how we can consider the parallel management of various principles.

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

    Directory of Open Access Journals (Sweden)

    Ery Tri Djatmika

    2016-02-01

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

  13. A theoretical model of phase transitions in the human brain.

    Science.gov (United States)

    Jirsa, V K; Friedrich, R; Haken, H; Kelso, J A

    1994-01-01

    An experiment using a multisensor SQUID (superconducting quantum interference device) array was performed by Kelso and colleagues (1992) which combined information from three different sources: perception, motor response, and brain signals. When an acoustic stimulus frequency is changed systematically, a spontaneous transition in coordination occurs at a critical frequency in both motor behavior and brain signals. Qualitatively analogous transitions are known for physical and biological systems such as changes in the coordination of human hand movements (Kelso 1981, 1984). In this paper we develop a theoretical model based on methods from the interdisciplinary field of synergetics (Haken 1983, 1987) and nonlinear oscillator theory that reproduces the main experimental features very well and suggests a formulation of a fundamental biophysical coupling.

  14. A model theoretic Baire category theorem for simple theories

    CERN Document Server

    Shami, Ziv

    2009-01-01

    We define the class of $\\tilde\\tau_{low}^f$-sets. This is a class of type-definable sets defined in terms of forking by low formulas. We prove a model theoretic Baire category theorem for $\\tilde\\tau_{low}^f$-sets in a countable simple theory in which the extension property is first-order and show some of its applications. A typical application is the following. Let $T$ be a countable theory with the wnfcp (weak nonfinite cover property) and assume for every non-algebraic $a$ there exists a non-algebraic $a'\\acl(a)$ such that $SU(a')<\\omega$. Then there exists a weakly-minimal formula with parameters.

  15. Penetration of alkali atoms throughout a graphene membrane: theoretical modeling.

    Science.gov (United States)

    Boukhvalov, D W; Virojanadara, C

    2012-03-07

    Theoretical studies of penetration of various alkali atoms (Li, Na, Rb, Cs) throughout a graphene membrane grown on a silicon carbide substrate are reported and compared with recent experimental results. Results of first principles modeling demonstrate a rather low (about 0.8 eV) energy barrier for the formation of temporary defects in the carbon layer required for the penetration of Li at a high concentration of adatoms, a higher (about 2 eV) barrier for Na, and barriers above 4 eV for Rb and Cs. Experiments prove migration of lithium adatoms from the graphene surface to the buffer layer and SiC substrate at room temperature, sodium at 100 °C and impenetrability of the graphene membrane for Rb and Cs. Differences between epitaxial and free-standing graphene for the penetration of alkali ions are also discussed.

  16. Theoretical Basis and Application of an Analogue-Dynamical Model in the Lorenz System

    Institute of Scientific and Technical Information of China (English)

    REN Hongli; CHOU Jifan; HUANG Jianping; ZHANG Peiqun

    2009-01-01

    The theoretical basis and application of an analogue-dynamical model (ADM) in the Lorenz system is studied. The ADM can effectively combine statistical and dynamical methods in which the small disturbance of the current initial value superimposed on the historical analogue reference state can be regarded as a prediction objective. Primary analyses show that under the condition of appending disturbances in model parameters, the model errors of ADM are much smaller than those of the pure dynamical model (PDM).The characteristics of predictability on the ADM in the Lorenz system are analyzed in phase space by conducting case studies and global experiments. The results show that the ADM can quite effectively reduce prediction errors and prolong the valid time of the prediction in most situations in contrast to the PDM, but when model errors are considerably small, the latter will be superior to the former. To overcome such a problem, the multi-reference-state updating can be applied to introduce the information of multi-analogue and update analogue and can exhibit exciting performance in the ADM.

  17. Modeling of air-gap membrane distillation process: A theoretical and experimental study

    KAUST Repository

    Alsaadi, Ahmad Salem

    2013-06-03

    A one dimensional (1-D) air gap membrane distillation (AGMD) model for flat sheet type modules has been developed. This model is based on mathematical equations that describe the heat and mass transfer mechanisms of a single-stage AGMD process. It can simulate AGMD modules in both co-current and counter-current flow regimes. The theoretical model was validated using AGMD experimental data obtained under different operating conditions and parameters. The predicted water vapor flux was compared to the flux measured at five different feed water temperatures, two different feed water salinities, three different air gap widths and two MD membranes with different average pore sizes. This comparison showed that the model flux predictions are strongly correlated with the experimental data, with model predictions being within +10% of the experimentally determined values. The model was then used to study and analyze the parameters that have significant effect on scaling-up the AGMD process such as the effect of increasing the membrane length, and feed and coolant flow rates. The model was also used to analyze the maximum thermal efficiency of the AGMD process by tracing changes in water production rate and the heat input to the process along the membrane length. This was used to understand the gain in both process production and thermal efficiency for different membrane surface areas and the resultant increases in process capital and water unit cost. © 2013 Elsevier B.V.

  18. Modelling Crowd Dynamics: a Multiscale, Measure-theoretical Approach

    CERN Document Server

    Evers, Joep

    2011-01-01

    We present a strategy capable of describing basic features of the dynamics of crowds. The behaviour of the crowd is considered from a twofold perspective. We examine both the large scale behaviour of the crowd, and phenomena happening at the individual pedestrian's level. We unify micro and macro in a single model, by working with general mass measures and their transport. We improve existing modelling by coupling a measure-theoretical framework with basic ideas of mixture theory formulated in terms of measures. This strategy allows us to define several constituents of the crowd, each having its own partial velocity. We can thus examine the interaction between subpopulations that have distinct characteristics. We give special features to those pedestrians that are represented by the microscopic (discrete) part. In real life they would play the role of leaders, predators etc. Since we are interested in the global behaviour of the rest of the crowd, we model this part as a continuum. By identifying a suitable c...

  19. A theoretical intellectual capital model applied to cities

    Directory of Open Access Journals (Sweden)

    José Luis Alfaro Navarro

    2013-06-01

    Full Text Available New Management Information Systems (MIS are necessary at local level as the main source of wealth creation. Therefore, tools and approaches that provide a full future vision of any organization should be a strategic priority for economic development. In this line, cities are “centers of knowledge and sources of growth and innovation” and integrated urban development policies are necessary. These policies support communication networks and optimize location structures as strategies that provide opportunities for social and democratic participation for the citizens. This paper proposes a theoretical model to measure and evaluate the cities intellectual capital that allows determine what we must take into account to make cities a source of wealth, prosperity, welfare and future growth. Furthermore, local intellectual capital provides a long run vision. Thus, in this paper we develop and explain how to implement a model to estimate intellectual capital in cities. In this sense, our proposal is to provide a model for measuring and managing intellectual capital using socio-economic indicators for cities. These indicators offer a long term picture supported by a comprehensive strategy for those who occupy the local space, infrastructure for implementation and management of the environment for its development.

  20. Theoretical Prediction of Asymmetrical Jet Formation in Two-Metallic-Flow Collision

    Institute of Scientific and Technical Information of China (English)

    SHI Yi-Na; QIN Cheng-Sen

    2007-01-01

    @@ We develop a basic problem in ballistics and impact engineering, concerning the collision of two fluid streams with different widths. The geometrical theory of plane asymmetrical jet formation is presented and a closed form solution is given. The width and flow direction of the outgoing flows are predicted both analytically and numerically as a function of initial configuration of the incoming flows. The predictions are more accurate than the results of other analytic models and in agreement with the experimental data and numerical results over a wide range of flow widths ratio variation.

  1. Nonlinear chaotic model for predicting storm surges

    Directory of Open Access Journals (Sweden)

    M. Siek

    2010-09-01

    Full Text Available This paper addresses the use of the methods of nonlinear dynamics and chaos theory for building a predictive chaotic model from time series. The chaotic model predictions are made by the adaptive local models based on the dynamical neighbors found in the reconstructed phase space of the observables. We implemented the univariate and multivariate chaotic models with direct and multi-steps prediction techniques and optimized these models using an exhaustive search method. The built models were tested for predicting storm surge dynamics for different stormy conditions in the North Sea, and are compared to neural network models. The results show that the chaotic models can generally provide reliable and accurate short-term storm surge predictions.

  2. Nonlinear chaotic model for predicting storm surges

    NARCIS (Netherlands)

    Siek, M.; Solomatine, D.P.

    This paper addresses the use of the methods of nonlinear dynamics and chaos theory for building a predictive chaotic model from time series. The chaotic model predictions are made by the adaptive local models based on the dynamical neighbors found in the reconstructed phase space of the observables.

  3. Theoretical and experimental α decay half-lives of the heaviest odd-Z elements and general predictions

    Science.gov (United States)

    Zhang, H. F.; Royer, G.

    2007-10-01

    Theoretical α decay half-lives of the heaviest odd-Z nuclei are calculated using the experimental Qα value. The barriers in the quasimolecular shape path are determined within a Generalized Liquid Drop Model (GLDM) and the WKB approximation is used. The results are compared with calculations using the Density-Dependent M3Y (DDM3Y) effective interaction and the Viola-Seaborg-Sobiczewski (VSS) formulas. The calculations provide consistent estimates for the half-lives of the α decay chains of these superheavy elements. The experimental data stand between the GLDM calculations and VSS ones in the most time. Predictions are provided for the α decay half-lives of other superheavy nuclei within the GLDM and VSS approaches using the recent extrapolated Qα of Audi, Wapstra, and Thibault [Nucl. Phys. A729, 337 (2003)], which may be used for future experimental assignment and identification.

  4. Theoretical and experimental \\alpha decay half-lives of the heaviest odd-Z elements and general predictions

    CERN Document Server

    Zhang, H F

    2007-01-01

    Theoretical decay half-lives of the heaviest odd-Z nuclei are calculated using the experimental Q value. The barriers in the quasimolecular shape path are determined within a Generalized Liquid Drop Model (GLDM) and the WKB approximation is used. The results are compared with calculations using the Density-Dependent M3Y (DDM3Y) effective interaction and the Viola-Seaborg-Sobiczewski (VSS) formulas. The calculations provide consistent estimates for the half-lives of the decay chains of these superheavy elements. The experimental data stand between the GLDM calculations and VSS ones in the most time. Predictions are provided for the decay half-lives of other superheavy nuclei within the GLDM and VSS approaches using the recent extrapolated Q of Audi, Wapstra, and Thibault [Nucl. Phys. A729, 337 (2003)], which may be used for future experimental assignment and identification.

  5. 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.

  6. EFFICIENT PREDICTIVE MODELLING FOR ARCHAEOLOGICAL RESEARCH

    OpenAIRE

    Balla, A.; Pavlogeorgatos, G.; Tsiafakis, D.; Pavlidis, G.

    2014-01-01

    The study presents a general methodology for designing, developing and implementing predictive modelling for identifying areas of archaeological interest. The methodology is based on documented archaeological data and geographical factors, geospatial analysis and predictive modelling, and has been applied to the identification of possible Macedonian tombs’ locations in Northern Greece. The model was tested extensively and the results were validated using a commonly used predictive gain,...

  7. Membrane Phospholipid Redistribution in Cytokinesis: A Theoretical Model

    Institute of Scientific and Technical Information of China (English)

    Mei-Wen AN; Wen-Zhou WU; Wei-Yi CHEN

    2005-01-01

    In cell mitosis, cytokinesis is a major deformation process, during which the site of the contractile ring is determined by the biochemical stimulus from asters of the mitotic apparatus, actin and myosin assembly is related to the motion of membrane phospholipids, and local distribution and arrangement of the microfilament cytoskeleton are different at different cytokinesis stages. Based on the Zinemanas-Nir model, a new model is proposed in this study to simulate the entire process by coupling the biochemical stimulus with the mechanical actions. There were three assumptions in this model: the movements of phospholipid proteins are driven by gradients of biochemical stimulus on the membrane surface; the local assembly of actin and myosin filament depends on the amount of phospholipid proteins at the same location;and the surface tension includes membrane tensions due to both the passive deformation of the membrane and the active contraction of actin filament, which is determined by microfilament redistribution and rearrangement. This model could explain the dynamic movement of microfilaments during cytokinesis and predict cell deformation. The calculated results from this model demonstrated that the reorientation of phospholipid proteins and the redistribution and reorientation of microfilaments may play a crucial role in cell division. This model may better represent the cytokinesis process by the introduction of biochemical stimulus.

  8. An information theoretic approach to select alternate subsets of predictors for data-driven hydrological models

    Science.gov (United States)

    Taormina, R.; Galelli, S.; Karakaya, G.; Ahipasaoglu, S. D.

    2016-11-01

    This work investigates the uncertainty associated to the presence of multiple subsets of predictors yielding data-driven models with the same, or similar, predictive accuracy. To handle this uncertainty effectively, we introduce a novel input variable selection algorithm, called Wrapper for Quasi Equally Informative Subset Selection (W-QEISS), specifically conceived to identify all alternate subsets of predictors in a given dataset. The search process is based on a four-objective optimization problem that minimizes the number of selected predictors, maximizes the predictive accuracy of a data-driven model and optimizes two information theoretic metrics of relevance and redundancy, which guarantee that the selected subsets are highly informative and with little intra-subset similarity. The algorithm is first tested on two synthetic test problems and then demonstrated on a real-world streamflow prediction problem in the Yampa River catchment (US). Results show that complex hydro-meteorological datasets are characterized by a large number of alternate subsets of predictors, which provides useful insights on the underlying physical processes. Furthermore, the presence of multiple subsets of predictors-and associated models-helps find a better trade-off between different measures of predictive accuracy commonly adopted for hydrological modelling problems.

  9. Theoretical prediction of single-site surface-protonation equilibrium constants for oxides and silicates in water

    Energy Technology Data Exchange (ETDEWEB)

    Sverjensky, D.A.; Sahai, N. [Johns Hopkins Univ., Baltimore, MD (United States)

    1996-10-01

    The equilibrium constants for surface protonation of solid oxides and silicates can be estimated from theoretical considerations and known properties of the solids for use in the constant capacitance, diffuse double layer or triple layer models of surface complexation. The theoretical considerations take into account Born solvation theory for the adsorbing proton, electrostatic interactions of the adsorbing proton with a surface oxygen and an underlying metal, and an intrinsic binding of the proton to the surface. As a consequence, the equilibrium constants for the {nu}th ({nu} = 1 or 2) surface protonation reaction on the kth solid can be expressed in terms of the inverse of the dielectric constant of the solid (1/{epsilon}{sub k}) and an average Pauling bond strength per angstrom (s/r{sub M-OH}) for the solid according to log K{sub {nu}} = M{sub {nu}}(1/{epsilon}{sub k}) - B{sub {nu}}(s/r{sub M-OH}) + log K{sub ii,{nu}}{sup {double_prime}}, where the coefficients M{sub {nu}} B{sub {nu}} and K{sub ii{nu}}{sup {double_prime}} are constants characteristic of all oxides and silicates for each surface complexation model. Evaluation of these constants using experimental data for TiO{sub 2}, {gamma}-alumina, Al{sub 2}O{sub 3} FeOOH, Fe(OH){sub 3}, silica, quartz. and kaolinite permits widespread prediction of surface protonation equilibrium constants from the known bulk structure properties 1/{epsilon}{sub k} and s/r{sub M-OH}. Such predictions should replace attempts to estimate surface protonation equilibrium constants for solids from empirical correlations with aqueous equilibrium constants. Surface protonation constants should also not be estimated from correlations with only the Pauling bond strength because these neglect specific treatment of salvation. 92 refs., 14 figs., 4 tabs.

  10. How to Establish Clinical Prediction Models

    Directory of Open Access Journals (Sweden)

    Yong-ho Lee

    2016-03-01

    Full Text Available A clinical prediction model can be applied to several challenging clinical scenarios: screening high-risk individuals for asymptomatic disease, predicting future events such as disease or death, and assisting medical decision-making and health education. Despite the impact of clinical prediction models on practice, prediction modeling is a complex process requiring careful statistical analyses and sound clinical judgement. Although there is no definite consensus on the best methodology for model development and validation, a few recommendations and checklists have been proposed. In this review, we summarize five steps for developing and validating a clinical prediction model: preparation for establishing clinical prediction models; dataset selection; handling variables; model generation; and model evaluation and validation. We also review several studies that detail methods for developing clinical prediction models with comparable examples from real practice. After model development and vigorous validation in relevant settings, possibly with evaluation of utility/usability and fine-tuning, good models can be ready for the use in practice. We anticipate that this framework will revitalize the use of predictive or prognostic research in endocrinology, leading to active applications in real clinical practice.

  11. Wind turbine control and model predictive control for uncertain systems

    DEFF Research Database (Denmark)

    Thomsen, Sven Creutz

    as disturbance models for controller design. The theoretical study deals with Model Predictive Control (MPC). MPC is an optimal control method which is characterized by the use of a receding prediction horizon. MPC has risen in popularity due to its inherent ability to systematically account for time......-domain constraints on signals. During the last decades several theoretical advances have been made, so that it can handle a wide variety of system structures. In this thesis, the focus is on handling uncertain linear system description. To this end the so-called Youla parameterizations have been used. Two methods...... are proposed: The first method exploits the modularity of the parameterizations so that the uncertainty can be identified and the MPC controller can be reconfigured in a modular setting. The second method is a robust MPC method in which the Youla parameters are used as an integral part of the online...

  12. Numerical and experimental verification of a theoretical model of ripple formation in ice growth under supercooled water film flow

    Energy Technology Data Exchange (ETDEWEB)

    Ueno, K; Farzaneh, M [NSERC/Hydro-Quebec/UQAC Industrial Chair on Atmospheric Icing of Power Network Equipment (CIGELE) and Canada Research Chair on Engineering of Power Network Atmospheric Icing (INGIVRE), Universite du Quebec a Chicoutimi, 555 Boulevard de l' Universite, Chicoutimi, Quebec, G7H 2B1 (Canada); Yamaguchi, S [Snow and Ice Research Center, National Research Institute for Earth Science and Disaster Prevention, Nagaoka, 940-0821 (Japan); Tsuji, H [Research Institute for Applied Mechanics, Kyushu University, Kasuga, Fukuoka, 816-8580 (Japan)], E-mail: kazuto.ueno@uqac.ca

    2010-04-15

    Little is known about morphological instability of a solidification front during the crystal growth of a thin film of flowing supercooled liquid with a free surface: for example, the ring-like ripples on the surface of icicles. The length scale of the ripples is nearly 1 cm. Two theoretical models for the ripple formation mechanism have been proposed. However, these models lead to quite different results because of differences in the boundary conditions at the solid-liquid interface and liquid-air surface. The validity of the assumption used in the two models is numerically investigated and some of the theoretical predictions are compared with experiments.

  13. 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].

  14. Experimental Investigation and Theoretical Modeling of Nanosilica Activity in Concrete

    Directory of Open Access Journals (Sweden)

    Han-Seung Lee

    2014-01-01

    Full Text Available This paper presents experimental investigations and theoretical modeling of the hydration reaction of nanosilica blended concrete with different water-to-binder ratios and different nanosilica replacement ratios. The developments of chemically bound water contents, calcium hydroxide contents, and compressive strength of Portland cement control specimens and nanosilica blended specimens were measured at different ages: 1 day, 3 days, 7 days, 14 days, and 28 days. Due to the pozzolanic reaction of nanosilica, the contents of calcium hydroxide in nanosilica blended pastes are considerably lower than those in the control specimens. Compared with the control specimens, the extent of compressive strength enhancement in the nanosilica blended specimens is much higher at early ages. Additionally, a blended cement hydration model that considers both the hydration reaction of cement and the pozzolanic reaction of nanosilica is proposed. The properties of nanosilica blended concrete during hardening were evaluated using the degree of hydration of cement and the reaction degree of nanosilica. The calculated chemically bound water contents, calcium hydroxide contents, and compressive strength were generally consistent with the experimental results.

  15. Islamic Theoretical Intertemporal Model of the Current Account

    Directory of Open Access Journals (Sweden)

    Hassan Belkacem Ghassan

    2016-06-01

    Full Text Available This paper aims to develop an Islamic intertemporal model of the current account based on the prevailing theoretical and empirical literature of PVMCA (Obstfeld and Rogoff, 1996, Cerrato et al., 2014. The proposed model is based on the budget constraint of the present and future consumption, which depends on the obligatory Zakat from the income and assets, the return rate on the owned assets, the inheritance linking previous to subsequent generation. Using logarithmic utility function, featured by a unitary elasticity of intertemporal substitution and a unitary coefficient of relative risk aversion, we show through Euler equation of consumption that there is an inverse relationship between consumption growth from the last age to the first one and the Zakat rate on assets. The outcomes of this result are that the Zakat on assets disciplines the consumer to have more rationality in consumption, and allows additional marginal assets for future generations. By assuming a unitary subjective discount rate, we indicate that the more the return rate on assets is high, the more the consumption growth between today and tomorrow will be fast. Through the budget constraint, if Zakat rate on the Zakatable assets is greater than Zakat rate on income, this leads to a relative expansion in private consumption of the wealthy group. Besides, we point out that an increase in return rate on assets, can drive to increasing or decreasing current consumption, because the substitution and income effects work in opposite ways.

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

    Science.gov (United States)

    Johnson, Shane D; Groff, Elizabeth R

    2014-07-01

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

  17. A theoretical model for the Lorentz force particle analyzer

    Science.gov (United States)

    Moreau, René; Tao, Zhen; Wang, Xiaodong

    2016-07-01

    In a previous paper [X. Wang et al., J. Appl. Phys. 120, 014903 (2016)], several experimental devices have been presented, which demonstrate the efficiency of electromagnetic techniques for detecting and sizing electrically insulating particles entrained in the flow of a molten metal. In each case, a non-uniform magnetic field is applied across the flow of the electrically conducting liquid, thereby generating a braking Lorentz force on this moving medium and a reaction force on the magnet, which tends to be entrained in the flow direction. The purpose of this letter is to derive scaling laws for this Lorentz force from an elementary theoretical model. For simplicity, as in the experiments, the flowing liquid is modeled as a solid body moving with a uniform velocity U. The eddy currents in the moving domain are derived from the classic induction equation and Ohm's law, and expressions for the Lorentz force density j ×B and for its integral over the entire moving domain follow. The insulating particles that are eventually present and entrained with this body are then treated as small disturbances in a classic perturbation analysis, thereby leading to scaling laws for the pulses they generate in the Lorentz force. The purpose of this letter is both to illustrate the eddy currents without and with insulating particles in the electrically conducting liquid and to derive a key relation between the pulses in the Lorentz force and the main parameters (particle volume and dimensions of the region subjected to the magnetic field).

  18. Studies of Chinese speakers with dysarthria: informing theoretical models.

    Science.gov (United States)

    Whitehill, Tara L

    2010-01-01

    Most theoretical models of dysarthria have been developed based on research using individuals speaking English or other Indo-European languages. Studies of individuals with dysarthria speaking other languages can allow investigation into the universality of such models, and the interplay between language-specific and language-universal aspects of dysarthria. In this article, studies of Cantonese- and Mandarin-Chinese speakers with dysarthria are reviewed. The studies focused on 2 groups of speakers: those with cerebral palsy and those with Parkinson's disease. Key findings are compared with similar studies of English speakers. Since Chinese is tonal in nature, the impact of dysarthria on lexical tone has received considerable attention in the literature. The relationship between tone [which involves fundamental frequency (F(0)) control at the syllable level] and intonation (involving F(0) control at the sentential level) has received more recent attention. Many findings for Chinese speakers with dysarthria support earlier findings for English speakers, thus affirming the language-universal aspect of dysarthria. However, certain differences, which can be attributed to the distinct phonologies of Cantonese and Mandarin, highlight the language-specific aspects of the condition.

  19. Theoretical Model and Dynamic Analysis of Soft Yoke Mooring System

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    As a popular solution for mooring an FPSO (Floating Production, Storage and Offloading) permanently in shallow water, the soft yoke mooring system has been widely used in ocean oil production activities in the Bohai Bay of China. In order to simulate the interaction mechanism and conduct dynamic analysis of the soft yoke mooring system, a theoretical model with basic dynamic equations is established. A numerical iteration algorithm based on error estimation is developed to solve the equations and calculate the dynamic response of the mooring system due to FPSO motions. Validation is conducted by wave basin experimentation. It is shown that the numerical simulation takes only a few iteration times and the final errors are small. Furthermore, the calculated results of both the static and dynamic responses agree well with those ones obtained by the model test. It indicates that the efficiency, the precision, the reliability and the validity of the developed numerical algorithm and program are rather good. It is proposed to develop a real-time monitoring system to further monitor the dynamic performance of the FPSO with a soft yoke mooring system under various real sea environments.

  20. 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.

  1. Theoretical Modelling Methods for Thermal Management of Batteries

    Directory of Open Access Journals (Sweden)

    Bahman Shabani

    2015-09-01

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

  2. Comparison of Prediction-Error-Modelling Criteria

    DEFF Research Database (Denmark)

    Jørgensen, John Bagterp; Jørgensen, Sten Bay

    2007-01-01

    is a realization of a continuous-discrete multivariate stochastic transfer function model. The proposed prediction error-methods are demonstrated for a SISO system parameterized by the transfer functions with time delays of a continuous-discrete-time linear stochastic system. The simulations for this case suggest......Single and multi-step prediction-error-methods based on the maximum likelihood and least squares criteria are compared. The prediction-error methods studied are based on predictions using the Kalman filter and Kalman predictors for a linear discrete-time stochastic state space model, which...... computational resources. The identification method is suitable for predictive control....

  3. Inference of ICF implosion core mix using experimental data and theoretical mix modeling

    Energy Technology Data Exchange (ETDEWEB)

    Sherrill, Leslie Welser [Los Alamos National Laboratory; Haynes, Donald A [Los Alamos National Laboratory; Cooley, James H [Los Alamos National Laboratory; Sherrill, Manolo E [Los Alamos National Laboratory; Mancini, Roberto C [UNR; Tommasini, Riccardo [LLNL; Golovkin, Igor E [PRISM COMP. SCIENCES; Haan, Steven W [LLNL

    2009-01-01

    The mixing between fuel and shell materials in Inertial Confinement Fusion (lCF) implosion cores is a current topic of interest. The goal of this work was to design direct-drive ICF experiments which have varying levels of mix, and subsequently to extract information on mixing directly from the experimental data using spectroscopic techniques. The experimental design was accomplished using hydrodynamic simulations in conjunction with Haan's saturation model, which was used to predict the mix levels of candidate experimental configurations. These theoretical predictions were then compared to the mixing information which was extracted from the experimental data, and it was found that Haan's mix model predicted trends in the width of the mix layer as a function of initial shell thickness. These results contribute to an assessment of the range of validity and predictive capability of the Haan saturation model, as well as increasing confidence in the methods used to extract mixing information from experimental data.

  4. Models in Educational Administration: Revisiting Willower's "Theoretically Oriented" Critique

    Science.gov (United States)

    Newton, Paul; Burgess, David; Burns, David P.

    2010-01-01

    Three decades ago, Willower (1975) argued that much of what we take to be theory in educational administration is in fact only theoretically oriented. If we accept Willower's assessment of the field as true, what implications does this statement hold for the academic study and practical application of the theoretically oriented aspects of our…

  5. Photoabsorption spectrum of helium trimer cation—Theoretical modeling

    Energy Technology Data Exchange (ETDEWEB)

    Kalus, René [Centre of Excellence IT4Innovations and Department of Applied Mathematics, VSB-Technical University of Ostrava, 17. listopadu 15, 708 33 Ostrava (Czech Republic); Karlický, František [Regional Centre of Advanced Technologies and Materials and Department of Physical Chemistry, Faculty of Science, Palacký University, Tř. 17. listopadu 12, 771 46 Olomouc (Czech Republic); Lepetit, Bruno [Laboratoire Collisions Agrégats Réactivité, IRSAMC and UMR5589 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex (France); Paidarová, Ivana [J. Heyrovský Institute of Physical Chemistry, ASCR, v.v.i., Dolejškova 3, 182 23 Praha (Czech Republic); Gadea, Florent Xavier [Laboratoire de Chimie et de Physique Quantiques, IRSAMC and UMR5626 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex (France)

    2013-11-28

    The photoabsorption spectrum of He{sub 3}{sup +} is calculated for two semiempirical models of intracluster interactions and compared with available experimental data reported in the middle UV range [H. Haberland and B. von Issendorff, J. Chem. Phys. 102, 8773 (1995)]. Nuclear delocalization effects are investigated via several approaches comprising quantum samplings using either exact or approximate (harmonic) nuclear wavefunctions, as well as classical samplings based on the Monte Carlo methodology. Good agreement with the experiment is achieved for the model by Knowles et al., [Mol. Phys. 85, 243 (1995); Mol. Phys. 87, 827 (1996)] whereas the model by Calvo et al., [J. Chem. Phys. 135, 124308 (2011)] exhibits non-negligible deviations from the experiment. Predictions of far UV absorption spectrum of He{sub 3}{sup +}, for which no experimental data are presently available, are reported for both models and compared to each other as well as to the photoabsorption spectrum of He{sub 2}{sup +}. A simple semiempirical point-charge approximation for calculating transition probabilities is shown to perform well for He{sub 3}{sup +}.

  6. Case studies in archaeological predictive modelling

    NARCIS (Netherlands)

    Verhagen, Jacobus Wilhelmus Hermanus Philippus

    2007-01-01

    In this thesis, a collection of papers is put together dealing with various quantitative aspects of predictive modelling and archaeological prospection. Among the issues covered are the effects of survey bias on the archaeological data used for predictive modelling, and the complexities of testing p

  7. Childhood asthma prediction models: a systematic review.

    Science.gov (United States)

    Smit, Henriette A; Pinart, Mariona; Antó, Josep M; Keil, Thomas; Bousquet, Jean; Carlsen, Kai H; Moons, Karel G M; Hooft, Lotty; Carlsen, Karin C Lødrup

    2015-12-01

    Early identification of children at risk of developing asthma at school age is crucial, but the usefulness of childhood asthma prediction models in clinical practice is still unclear. We systematically reviewed all existing prediction models to identify preschool children with asthma-like symptoms at risk of developing asthma at school age. Studies were included if they developed a new prediction model or updated an existing model in children aged 4 years or younger with asthma-like symptoms, with assessment of asthma done between 6 and 12 years of age. 12 prediction models were identified in four types of cohorts of preschool children: those with health-care visits, those with parent-reported symptoms, those at high risk of asthma, or children in the general population. Four basic models included non-invasive, easy-to-obtain predictors only, notably family history, allergic disease comorbidities or precursors of asthma, and severity of early symptoms. Eight extended models included additional clinical tests, mostly specific IgE determination. Some models could better predict asthma development and other models could better rule out asthma development, but the predictive performance of no single model stood out in both aspects simultaneously. This finding suggests that there is a large proportion of preschool children with wheeze for which prediction of asthma development is difficult.

  8. Theoretical Predictions and Experimental Assessments of the Performance of Alumina RF Windows

    Energy Technology Data Exchange (ETDEWEB)

    Karen Ann Cummings

    1998-07-01

    Radio frequency (RF) windows are the most likely place for catastrophic failure to occur in input power couplers for particle accelerators. Reliable RF windows are essential for the success of the Accelerator Production of Tritium (APT) program because there are over 1000 windows on the accelerator, and it takes more than one day to recover from a window failure. The goals of this research are to analytically predict the lifetime of the windows, to develop a conditioning procedure, and to evaluate the performance of the RF windows. The analytical goal is to predict the lifetime of the windows. The probability of failure is predicted by the combination of a finite element model of the window, Weibull probabilistic analysis, and fracture mechanics. The window assembly is modeled in a finite element electromagnetic code in order to calculate the electric fields in the window. The geometry (i.e. mesh) and electric fields are input into a translator program to generate the mesh and boundary conditions for a finite element thermal structural code. The temperatures and stresses are determined in the thermal/structural code. The geometry and thermal structural results are input into another translator program to generate an input file for the reliability code. Material, geometry and service data are also input into the reliability code. To obtain accurate Weibull and fatigue data for the analytical model, four point bend tests were done. The analytical model is validated by comparing the measurements to the calculations. The lifetime of the windows is then determined using the reliability code. The analytical model shows the window has a good thermal mechanical design and that fast fracture is unlikely to occur below a power level of 9 Mw. The experimental goal is to develop a conditioning procedure and evaluate the performance of RF windows. During the experimental evaluation, much was learned about processing of the windows to improve the RF performance. Methods of

  9. Theoretical model of superconducting spintronic SIsFS devices

    Science.gov (United States)

    Bakurskiy, S. V.; Klenov, N. V.; Soloviev, I. I.; Bol'ginov, V. V.; Ryazanov, V. V.; Vernik, I. V.; Mukhanov, O. A.; Kupriyanov, M. Yu.; Golubov, A. A.

    2013-05-01

    Motivated by recent progress in the development of cryogenic memory compatible with single flux quantum (SFQ) circuits, we have performed a theoretical study of magnetic SIsFS Josephson junctions, where "S" is a bulk superconductor, "s" is a thin superconducting film, "F" is a metallic ferromagnet, and "I" is an insulator. We calculate the Josephson current as a function of s and F layers thickness, temperature, and exchange energy of F film. We outline several modes of operation of these junctions and demonstrate their unique ability to have large product of a critical current IC and a normal-state resistance RN in the π state, comparable to that in superconductor-insulator-superconductor tunnel junctions commonly used in SFQ circuits. We develop a model describing switching of the Josephson critical current in these devices by external magnetic field. The results are in good agreement with the experimental data for Nb-Al/AlOx-Nb-Pd0.99Fe0.01-Nb junctions.

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

    Science.gov (United States)

    Dhavalikar, Rohan; Rinaldi, Carlos

    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.

  11. An employer brand predictive model for talent attraction and retention

    Directory of Open Access Journals (Sweden)

    Annelize Botha

    2011-02-01

    Full Text Available Orientation: In an ever shrinking global talent pool organisations use employer brand to attract and retain talent, however, in the absence of theoretical pointers, many organisations are losing out on a powerful business tool by not developing or maintaining their employer brand correctly. Research purpose: This study explores the current state of knowledge about employer brand and identifies the various employer brand building blocks which are conceptually integrated in a predictive model.Motivation for the study: The need for scientific progress though the accurate representation of a set of employer brand phenomena and propositions, which can be empirically tested, motivated this study.Research design, approach and method: This study was nonempirical in approach and searched for linkages between theoretical concepts by making use of relevant contextual data. Theoretical propositions which explain the identified linkages were developed for purpose of further empirical research.Main findings: Key findings suggested that employer brand is influenced by target group needs, a differentiated Employer Value Proposition (EVP, the people strategy, brand consistency, communication of the employer brand and measurement of Human Resources (HR employer branding efforts.Practical/managerial implications: The predictive model provides corporate leaders and their human resource functionaries a theoretical pointer relative to employer brand which could guide more effective talent attraction and retention decisions.Contribution/value add: This study adds to the small base of research available on employer brand and contributes to both scientific progress as well as an improved practical understanding of factors which influence employer brand.

  12. A theoretical approach to predict the performance of chevron-type plate haet exchangers

    Energy Technology Data Exchange (ETDEWEB)

    Martin, H. [Karlsruhe Univ. (T.H.) (Germany). Thermische Verfahrenstechnik

    1996-08-01

    Manufacturers of plate and frame heat exchangers nowadays mainly offer plates with chevron (or herringbone) corrugation patterns. The inclination angle {phi} of the crests and furrows of that sinusoidal pattern relative to the main flow direction has been shown to be the most important design parameter with respect to fluid friction and heat transfer. Two kinds of flow may exist in the gap between two plates (pressed together with the chevron pattern of the second plate turned into the opposite direction): The crossing flow of small substreams following the furrows of the first and the second plate, respectively, over the whole width of the corrugation pattern, dominating at lower inclination angles (lower pressure drop); and the wavy longitudinal flow between two vertical rows of contact points, prevailing at high {phi} angles (high pressure drop). The combined effects of the longer flow paths along the furrows, the crossing of the substreams, flow reversal at the edges of the chevron pattern, and the competition between crossing and longitudinal flow are taken into account to derive a relatively simple but physically reasonable equation for the friction factor {xi} as a function of the angle {phi} and the Reynolds number Re. Heat-transfer coefficients are then obtained from a theoretical equation for developing thermal boundary layers in fully developed laminar or turbulent channel flow - the generalized Leveque equation - predicting heat-transfer coefficients as being proportional to ({xi}.Re{sup 2}){sup 1/3}. It is shown, by comparison, that this prediction is in good agreement with experimental observations quoted in the literature. (orig.)

  13. Towards predictive food process models: A protocol for parameter estimation.

    Science.gov (United States)

    Vilas, Carlos; Arias-Méndez, Ana; Garcia, Miriam R; Alonso, Antonio A; Balsa-Canto, E

    2016-05-31

    Mathematical models, in particular, physics-based models, are essential tools to food product and process design, optimization and control. The success of mathematical models relies on their predictive capabilities. However, describing physical, chemical and biological changes in food processing requires the values of some, typically unknown, parameters. Therefore, parameter estimation from experimental data is critical to achieving desired model predictive properties. This work takes a new look into the parameter estimation (or identification) problem in food process modeling. First, we examine common pitfalls such as lack of identifiability and multimodality. Second, we present the theoretical background of a parameter identification protocol intended to deal with those challenges. And, to finish, we illustrate the performance of the proposed protocol with an example related to the thermal processing of packaged foods.

  14. Theoretical Modeling of ISO Results on Planetary Nebula NGC 7027

    Science.gov (United States)

    Yan, M.; Federman, S. R.; Dalgarno, A.; Bjorkman, J. E.

    1999-04-01

    We present a thermal and chemical model of the neutral envelope of planetary nebula NGC 7027. In our model, the neutral envelope is composed of a thin dense shell of constant density and an outer stellar wind region with the usual inverse-square law density profile. The thermal and chemical structure is calculated with the assumption that the incident radiation field on the inner surface equals 0.5×105 times Draine's fit to the average interstellar far-ultraviolet field. The rate coefficient for H2 formation on grains is assumed to be 1/5 the usual value to take into account the lower dust-gas mass ratio in the neutral envelope of NGC 7027. The calculated temperature in the dense shell decreases from 3000 to under 200 K. Once the temperature drops to 200 K, we assume that it remains at 200 K until the outer edge of the dense shell is reached, so that the observed intensities of CO J=16-15, 15-14, and 14-13 lines can be reproduced. The 200 K temperature can be interpreted as the average temperature of the shocked gas just behind the forward shock front in the framework of the interacting stellar wind theory. We calculate the intensities of the molecular far-infrared rotational lines by using a revised version of the escape probability formalism. The theoretical intensities for rotational lines of CO (from J=29-28 to J=14-13), CH+, OH, and CH are shown to be in good agreement with ISO observations. The H2 rovibrational line intensities are also calculated and are in agreement with available observations.

  15. 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.

  16. 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.

  17. Theoretical and experimental study of a new method for prediction of profile drag of airfoil sections

    Science.gov (United States)

    Goradia, S. H.; Lilley, D. E.

    1975-01-01

    Theoretical and experimental studies are described which were conducted for the purpose of developing a new generalized method for the prediction of profile drag of single component airfoil sections with sharp trailing edges. This method aims at solution for the flow in the wake from the airfoil trailing edge to the large distance in the downstream direction; the profile drag of the given airfoil section can then easily be obtained from the momentum balance once the shape of velocity profile at a large distance from the airfoil trailing edge has been computed. Computer program subroutines have been developed for the computation of the profile drag and flow in the airfoil wake on CDC6600 computer. The required inputs to the computer program consist of free stream conditions and the characteristics of the boundary layers at the airfoil trailing edge or at the point of incipient separation in the neighborhood of airfoil trailing edge. The method described is quite generalized and hence can be extended to the solution of the profile drag for multi-component airfoil sections.

  18. Theoretical prediction of antiferromagnetism in layered perovskite Sr2TcO4

    Science.gov (United States)

    Horvat, Alen; Pourovskii, Leonid; Aichhorn, Markus; Mravlje, Jernej

    2017-05-01

    We theoretically investigate the magnetic properties of Sr2TcO4 , a 4 d transition-metal layered perovskite of the K2NiF4 type with half-filled t2 g states. The effect of local Coulomb repulsion between the t2 g orbitals is included within the density-functional theory (DFT) + U and DFT + dynamical mean-field theory (DMFT) methods. The DFT + DMFT predicts paramagnetic Sr2TcO4 to be close to the Mott insulator-to-metal transition, similarly to the cubic compound SrTcO3. The intersite exchange interactions computed within the DFT + DMFT framework point to a strong antiferromagnetic coupling between the neighboring Tc sites within the layer. We then evaluate the Néel temperature TN within a classical Monte Carlo approach including dipolar interactions, which stabilize the magnetic order in the frustrated K2NiF4 lattice structure. Our approach is validated by applying it to a set of layered and cubic perovskites, for which we obtain TN in fair agreement with experiment. Within the same approach we obtain the TN of Sr2TcO4 to be about 450 K. We explore also the effect of anisotropy in exchange interactions due to spin-orbit coupling. These lead to a somewhat higher transition temperature, 550 K.

  19. Theoretical prediction of ion conductivity in solid state HfO2

    Institute of Scientific and Technical Information of China (English)

    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 (yttriastabilized 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. Magnetic properties of a Kramers doublet. An univocal bridge between experimental results and theoretical predictions.

    Science.gov (United States)

    Alonso, P J; Martínez, J I

    2015-06-01

    The magnetic response of a Kramers doublet is analyzed in a general case taking into account only the formal properties derived from time reversal operation. It leads to a definition of a matrix G (gyromagnetic matrix) whose expression depends on the chosen reference frame and on the Kramers conjugate basis used to describe the physical system. It is shown that there exists a reference frame and a suitable Kramers conjugate basis that gives a diagonal form for the G-matrix with all non-null elements having the same sign. A detailed procedure for obtaining this canonical expression of G is presented when the electronic structure of the KD is known regardless the level of the used theory. This procedure provides a univocal way to compare the theoretical predictions with the experimental results obtained from a complete set of magnetic experiments. In this way the problems arising from ambiguities in the g-tensor definition are overcome. This procedure is extended to find a spin-Hamiltonian suitable for describing the magnetic behavior of a pair of weakly coupled Kramers systems in the multispin scheme when the interaction between the two moieties as well as the individual Zeeman interaction are small enough as compared with ligand field splitting. Explicit relations between the physical interaction and the parameters of such a spin-Hamiltonian are also obtained.

  1. Low Earth orbit satellite-to-ground optical scintillation: comparison of experimental observations and theoretical predictions.

    Science.gov (United States)

    Yura, Harold T; Kozlowski, David A

    2011-07-01

    Scintillation measurements of a 1064 nm laser at a 5 kHz sampling rate were made by an optical ground station at the European Space Agency observatory in Tenerife, Spain while tracking a low Earth orbit satellite during the spring and summer of 2010. The scintillation index (SI), the variance of irradiance normalized to the square of the mean, and power spectra measurements were compared to theoretical predictions based on the Kolmogorov spectrum, the Maui3 nighttime turbulence profile, weak scintillation finite-beam wave theory, included receiver, and source aperture averaging with no free-fitting parameters. Good agreement was obtained, not only for the magnitude of the observed fluctuations, but also for the corresponding elevation angle dependence and shape of the power spectra. Little variation was seen for the SI between daytime and nighttime links. For all elevation angles, ascending and descending, the observed scintillation over extensive regions of the atmosphere is consistent with log-normal statistics. Additionally, it appears from the results presented here that the nighttime turbulence profile for the atmosphere above the observatory in Tenerife is similar to that above Haleakala in Maui, Hawaii.

  2. Theoretical model for assessing properties of local structures in metalloprotein

    Science.gov (United States)

    Koyimatu, M.; Shimahara, H.; Iwayama, M.; Sugimori, K.; Kawaguchi, K.; Saito, H.; Nagao, H.

    2013-02-01

    For model structures containing two aromatic rings such as the indole of Trp5 and the imidazole of His64 in human carbonic anhydrase (hCAII), the location and orientation of the rings with regard to each other contribute to the magnitude of the entire interaction energy. Here the energetic contribution of the indole ring of Trp5 on the imidazole ring of the "out" conformation of His64 were calculated to compare with that of the alternative "in" conformation of His64 by using the MP2/6-311++G(d,p)//B3LYP/6-31G(d,p) method. We suggest that 1) Trp5 and the "out" conformation of His64 are predicted to form a stack of planar parallel rings via π-stacking interaction and 2) the energy is 1.73-1.83 kcal/mol to stabilize the "out" conformation, compared with the "in" conformation.

  3. The coupled effects of carbon and nitrogen on soil decomposition: A theoretical model

    Science.gov (United States)

    Darby, B.; Finzi, A.

    2013-12-01

    Soil organic matter (SOM) plays a crucial role in the carbon (C) cycle, holding 2.5 times more carbon than plant biomass. Ecosystem models predict that climate warming will stimulate decomposition of soil carbon stocks, in turn leading to positive feedbacks on warming. Recent empirical studies and modeling work has revealed the importance of microbial physiology and exoenzyme kinetics in driving SOM decomposition. Existing mathematical models describe the microbial processes and biophysics involved in the decomposition. However, although decomposition by nitrogen-degrading enzymes is included in some models, nitrogen (N) does not drive model behavior and there are no reaction kinetics associated with the depolymerization or uptake of N. Additionally, very few empirically measured kinetic values exist for N-degrading enzymes or the uptake of N by microbes. This study proposes a theoretical model of SOM decomposition based on the principles of exoenzyme kinetics and microbial biophysics that explicitly links C and N through microbial uptake and SOM decomposition kinetics and by placing stoichiometric constraints on microbial growth and exoenzyme production. After constructing the model framework, the model was then used to test soil-carbon responses to warming, and to explore the importance of N uptake and depolymerization kinetics in driving decomposition. The model predictions suggest that the response of kinetics to temperature are more important than microbial responses in determining decomposition rates. Additionally, variations in the kinetics of N depolymerization affected decomposition rates, whereas N uptake kinetics and their effect on enzyme production had almost no effect. The model outputs were also compared to a C-only model framework in order to assess the effects of N on model behavior. The incorporation of N into a SOM decomposition model produced different, and in some cases, contradictory results as compared to a C-only model. Overall, these

  4. New results for antiproton-proton elastic scattering and various theoretical models

    Energy Technology Data Exchange (ETDEWEB)

    Fazal-e-Aleem; Saleem, M. (Centre for High Energy Physics, Punjab University, Lahore-54590, Pakistan (PK)); Yodh, G.B. (Department of Physics, University of California-Irvine, Irvine, CA 92717 (USA))

    1991-07-01

    The most recent measurements of the ratio {rho} of the real and imaginary parts of the forward-scattering amplitudes at 0.546 TeV, the total and elastic differential cross sections at 0.546 and 1.8 TeV for proton-antiproton scattering, are compared to the predictions of the generalized Chou-Yang and other theoretical models. For 1.8 TeV, the presence or absence of the break near {minus}{ital t}{approx}0.15 (GeV/{ital c}){sup 2} and of the dip in the vicinity of 0.6 (GeV/{ital c}){sup 2} are also discussed in the light of various predictions. The possibility of a further rise of the ratio {rho} at 1.8 TeV is also probed.

  5. Abundance distributions over the surfaces of magnetic ApBp stars: theoretical predictions

    CERN Document Server

    Alecian, G

    2015-01-01

    Recently published empirical abundance maps, obtained through (Zeeman) Doppler mapping (ZDM), do not currently agree with the abundance structures predicted by means of numerical models of atomic diffusion in magnetic atmospheres of ApBp stars. In a first step towards the resolution of these discrepancies, we present a state of the art grid of equilibrium abundance stratifications in the atmosphere of a magnetic Ap star with T_eff = 10000 K and log g = 4.0. A description of the behaviour of 16 chemical elements including predictions concerning the over- and/or under-abundances over the stellar surface is followed by a discussion of the possible influence of presently neglected physical processes.

  6. B → K∗ ℓ + ℓ - decays at large recoil in the Standard Model: a theoretical reappraisal

    Science.gov (United States)

    Ciuchini, Marco; Fedele, Marco; Franco, Enrico; Mishima, Satoshi; Paul, Ayan; Silvestrini, Luca; Valli, Mauro

    2016-06-01

    We critically reassess the theoretical uncertainties in the Standard Model calculation of the B → K ∗ ℓ + ℓ - observables, focusing on the low q 2 region. We point out that even optimized observables are affected by sizable uncertainties, since hadronic contributions generated by current-current operators with charm are difficult to estimate, especially for q 2 ˜ 4 m c 2 ≃ 6.8 GeV2. We perform a detailed numerical analysis and present both predictions and results from the fit obtained using most recent data. We find that non-factorizable power corrections of the expected order of magnitude are sufficient to give a good description of current experimental data within the Standard Model. We discuss in detail the q 2 dependence of the corrections and their possible interpretation as shifts of the Standard Model Wilson coefficients.

  7. Theoretical prediction of stiffness and strength of three-dimensional and four-directional braided composites

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Based on unit cell model,the 3D 4-directional braided composites can be simplified as unidirectional composites with different local axial coordinate system and the compliance matrix of unidirectional composites can be defined utilizing the bridge model.The total stiffness matrix of braided composites can be obtained by the volume average stiffness of unidirectional composites with different local axial coordinate system and the engineering elastic constants of braided composites were computed further.Based on the iso-strain assumption and the bridge model,the stress distribution of fiber bundle and matrix of different unidirectional composites can be determined and the tensile strength of 3D 4-directional braided composites was predicted by means of the Hoffman's failure criterion for the fiber bundle and Mises' failure criterion for the matrix.

  8. Mergers in Lambda-CDM: Uncertainties in Theoretical Predictions and Interpretations of the Merger Rate

    CERN Document Server

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

    2010-01-01

    Different methodologies lead to order-of-magnitude variations in predicted galaxy merger rates. We examine and quantify the dominant uncertainties. Different halo merger rates and subhalo 'destruction' rates agree to within a factor ~2 given proper care in definitions. If however (sub)halo masses are not appropriately defined or are under-resolved, the major merger rate can be dramatically suppressed. The dominant differences in galaxy merger rates owe to baryonic physics. Hydrodynamic simulations without feedback and older models that do not agree with the observed galaxy mass function propagate factor ~5 bias in the resulting merger rates. However, if the model matches the galaxy mass function, properties of central galaxies are sufficiently converged to give small differences in merger rates. But variations in baryonic physics of satellites have the most dramatic effect. The known problem of satellite 'over-quenching' in most semi-analytic models (SAMs), whereby SAM satellites are too efficiently stripped ...

  9. Deposition of combustion aerosols in the human respiratory tract: comparison of theoretical predictions with experimental data considering nonspherical shape.

    Science.gov (United States)

    Hofmann, W; Morawska, L; Winkler-Heil, R; Moustafa, M

    2009-12-01

    Total deposition of petrol and diesel combustion aerosols and environmental tobacco smoke (ETS) particles in the human respiratory tract for nasal breathing conditions was computed for 14 nonsmoking volunteers, considering the specific pulmonary function parameters of each volunteer and the specific size distribution for each inhalation experiment. Theoretical predictions were 34.6% for petrol smoke, 24.0% for diesel smoke, and 18.5% for ETS particles. Compared to the experimental results, predicted deposition values were consistently smaller than the measured data (41.4% for petrol smoke, 29.6% for diesel smoke, and 36.2% for ETS particles). The apparent discrepancy between experimental data on total deposition and modeling results may be reconciled by considering the nonspherical shape of the test aerosols by diameter-dependent dynamic shape factors to account for differences between mobility-equivalent and volume-equivalent or thermodynamic diameters. While the application of dynamic shape factors is able to explain the observed differences for petrol and diesel combustion particles, additional mechanisms may be required for ETS particle deposition, such as the size reduction upon inspiration by evaporation of volatile compounds and/or condensation-induced restructuring, and, possibly, electrical charge effects.

  10. Organic functionalization of the Si (100) and Ge (100) surfaces by cycloadditions of carbenes and nitrenes: a theoretical prediction.

    Science.gov (United States)

    Xu, Yi-Jun; Zhang, Yong-Fan; Li, Jun-Qian

    2006-02-23

    By means of density functional theory (B3LYP/6-31G*) coupled with effective cluster models, we predict that the well-known cycloaddition reactions of carbenes and nitrenes to alkenes in organic chemistry can be employed as a new type of surface reaction to organically functionalize the Si (100) and Ge (100) surfaces at low temperature. The well-established abundance of carbenes and nitrenes addition chemistry in organic chemistry provides versatile flexibility of functionalizing the surfaces of Si (100) and Ge (100), which can potentially impart new organic functionalities to the semiconductors surface for novel applications in a diversity of fields. Our predictions strongly advance the concept of using organic reactions to modify the solid surface in a controlled manner and quite intriguing chemistry can lie in the material featuring the analogous bonding motif. In further perspective, implications for other theoretical work, regarding disilenes, digermenes, silenes, and germenes that all feature the bonding motif similar to alkenes, are also discussed.

  11. Evaluation of burst pressure prediction models for line pipes

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xian-Kui, E-mail: zhux@battelle.org [Battelle Memorial Institute, 505 King Avenue, Columbus, OH 43201 (United States); Leis, Brian N. [Battelle Memorial Institute, 505 King Avenue, Columbus, OH 43201 (United States)

    2012-01-15

    Accurate prediction of burst pressure plays a central role in engineering design and integrity assessment of oil and gas pipelines. Theoretical and empirical solutions for such prediction are evaluated in this paper relative to a burst pressure database comprising more than 100 tests covering a variety of pipeline steel grades and pipe sizes. Solutions considered include three based on plasticity theory for the end-capped, thin-walled, defect-free line pipe subjected to internal pressure in terms of the Tresca, von Mises, and ZL (or Zhu-Leis) criteria, one based on a cylindrical instability stress (CIS) concept, and a large group of analytical and empirical models previously evaluated by Law and Bowie (International Journal of Pressure Vessels and Piping, 84, 2007: 487-492). It is found that these models can be categorized into either a Tresca-family or a von Mises-family of solutions, except for those due to Margetson and Zhu-Leis models. The viability of predictions is measured via statistical analyses in terms of a mean error and its standard deviation. Consistent with an independent parallel evaluation using another large database, the Zhu-Leis solution is found best for predicting burst pressure, including consideration of strain hardening effects, while the Tresca strength solutions including Barlow, Maximum shear stress, Turner, and the ASME boiler code provide reasonably good predictions for the class of line-pipe steels with intermediate strain hardening response. - Highlights: Black-Right-Pointing-Pointer This paper evaluates different burst pressure prediction models for line pipes. Black-Right-Pointing-Pointer The existing models are categorized into two major groups of Tresca and von Mises solutions. Black-Right-Pointing-Pointer Prediction quality of each model is assessed statistically using a large full-scale burst test database. Black-Right-Pointing-Pointer The Zhu-Leis solution is identified as the best predictive model.

  12. Model predictive control classical, robust and stochastic

    CERN Document Server

    Kouvaritakis, Basil

    2016-01-01

    For the first time, a textbook that brings together classical predictive control with treatment of up-to-date robust and stochastic techniques. Model Predictive Control describes the development of tractable algorithms for uncertain, stochastic, constrained systems. The starting point is classical predictive control and the appropriate formulation of performance objectives and constraints to provide guarantees of closed-loop stability and performance. Moving on to robust predictive control, the text explains how similar guarantees may be obtained for cases in which the model describing the system dynamics is subject to additive disturbances and parametric uncertainties. Open- and closed-loop optimization are considered and the state of the art in computationally tractable methods based on uncertainty tubes presented for systems with additive model uncertainty. Finally, the tube framework is also applied to model predictive control problems involving hard or probabilistic constraints for the cases of multiplic...

  13. Theoretical model of a piezoelectric composite spinal fusion interbody implant.

    Science.gov (United States)

    Tobaben, Nicholas E; Domann, John P; Arnold, Paul M; Friis, Elizabeth A

    2014-04-01

    Failure rates of spinal fusion are high in smokers and diabetics. The authors are investigating the development of a piezoelectric composite biomaterial and interbody device design that could generate clinically relevant levels of electrical stimulation to help improve the rate of fusion for these patients. A lumped parameter model of the piezoelectric composite implant was developed based on a model that has been utilized to successfully predict power generation for piezoceramics. Seven variables (fiber material, matrix material, fiber volume fraction, fiber aspect ratio, implant cross-sectional area, implant thickness, and electrical load resistance) were parametrically analyzed to determine their effects on power generation within reasonable implant constraints. Influences of implant geometry and fiber aspect ratio were independent of material parameters. For a cyclic force of constant magnitude, implant thickness was directly and cross-sectional area inversely proportional to power generation potential. Fiber aspect ratios above 30 yielded maximum power generation potential while volume fractions above 15% showed superior performance. This investigation demonstrates the feasibility of using composite piezoelectric biomaterials in medical implants to generate therapeutic levels of direct current electrical stimulation. The piezoelectric spinal fusion interbody implant shows promise for helping increase success rates of spinal fusion.

  14. Energy based prediction models for building acoustics

    DEFF Research Database (Denmark)

    Brunskog, Jonas

    2012-01-01

    In order to reach robust and simplified yet accurate prediction models, energy based principle are commonly used in many fields of acoustics, especially in building acoustics. This includes simple energy flow models, the framework of statistical energy analysis (SEA) as well as more elaborated...... principles as, e.g., wave intensity analysis (WIA). The European standards for building acoustic predictions, the EN 12354 series, are based on energy flow and SEA principles. In the present paper, different energy based prediction models are discussed and critically reviewed. Special attention is placed...

  15. Massive Predictive Modeling using Oracle R Enterprise

    CERN Document Server

    CERN. Geneva

    2014-01-01

    R is fast becoming the lingua franca for analyzing data via statistics, visualization, and predictive analytics. For enterprise-scale data, R users have three main concerns: scalability, performance, and production deployment. Oracle's R-based technologies - Oracle R Distribution, Oracle R Enterprise, Oracle R Connector for Hadoop, and the R package ROracle - address these concerns. In this talk, we introduce Oracle's R technologies, highlighting how each enables R users to achieve scalability and performance while making production deployment of R results a natural outcome of the data analyst/scientist efforts. The focus then turns to Oracle R Enterprise with code examples using the transparency layer and embedded R execution, targeting massive predictive modeling. One goal behind massive predictive modeling is to build models per entity, such as customers, zip codes, simulations, in an effort to understand behavior and tailor predictions at the entity level. Predictions...

  16. Theoretical prediction of hydrogen-bond basicity pKBHX using quantum chemical topology descriptors.

    Science.gov (United States)

    Green, Anthony J; Popelier, Paul L A

    2014-02-24

    Hydrogen bonding plays an important role in the interaction of biological molecules and their local environment. Hydrogen-bond strengths have been described in terms of basicities by several different scales. The pKBHX scale has been developed with the interests of medicinal chemists in mind. The scale uses equilibrium constants of acid···base complexes to describe basicity and is therefore linked to Gibbs free energy. Site specific data for polyfunctional bases are also available. The pKBHX scale applies to all hydrogen-bond donors (HBDs) where the HBD functional group is either OH, NH, or NH+. It has been found that pKBHX can be described in terms of a descriptor defined by quantum chemical topology, ΔE(H), which is the change in atomic energy of the hydrogen atom upon complexation. Essentially the computed energy of the HBD hydrogen atom correlates with a set of 41 HBAs for five common HBDs, water (r2=0.96), methanol (r2=0.95), 4-fluorophenol (r2=0.91), serine (r2=0.93), and methylamine (r2=0.97). The connection between experiment and computation was strengthened with the finding that there is no relationship between ΔE(H) and pKBHX when hydrogen fluoride was used as the HBD. Using the methanol model, pKBHX predictions were made for an external set of bases yielding r2=0.90. Furthermore, the basicities of polyfunctional bases correlate with ΔE(H), giving r2=0.93. This model is promising for the future of computation in fragment-based drug design. Not only has a model been established that links computation to experiment, but the model may also be extrapolated to predict external experimental pKBHX values.

  17. Predicting eukaryotic protein subcellular location by fusing optimized evidence-theoretic K-Nearest Neighbor classifiers.

    Science.gov (United States)

    Chou, Kuo-Chen; Shen, Hong-Bin

    2006-08-01

    Facing the explosion of newly generated protein sequences in the post genomic era, we are challenged to develop an automated method for fast and reliably annotating their subcellular locations. Knowledge of subcellular locations of proteins can provide useful hints for revealing their functions and understanding how they interact with each other in cellular networking. Unfortunately, it is both expensive and time-consuming to determine the localization of an uncharacterized protein in a living cell purely based on experiments. To tackle the challenge, a novel hybridization classifier was developed by fusing many basic individual classifiers through a voting system. The "engine" of these basic classifiers was operated by the OET-KNN (Optimized Evidence-Theoretic K-Nearest Neighbor) rule. As a demonstration, predictions were performed with the fusion classifier for proteins among the following 16 localizations: (1) cell wall, (2) centriole, (3) chloroplast, (4) cyanelle, (5) cytoplasm, (6) cytoskeleton, (7) endoplasmic reticulum, (8) extracell, (9) Golgi apparatus, (10) lysosome, (11) mitochondria, (12) nucleus, (13) peroxisome, (14) plasma membrane, (15) plastid, and (16) vacuole. To get rid of redundancy and homology bias, none of the proteins investigated here had >/=25% sequence identity to any other in a same subcellular location. The overall success rates thus obtained via the jack-knife cross-validation test and independent dataset test were 81.6% and 83.7%, respectively, which were 46 approximately 63% higher than those performed by the other existing methods on the same benchmark datasets. Also, it is clearly elucidated that the overwhelmingly high success rates obtained by the fusion classifier is by no means a trivial utilization of the GO annotations as prone to be misinterpreted because there is a huge number of proteins with given accession numbers and the corresponding GO numbers, but their subcellular locations are still unknown, and that the

  18. Theoretical prediction of new mineral phases in Earth's mantle and core (Invited)

    Science.gov (United States)

    Oganov, A. R.

    2010-12-01

    After theoretical-experimental discovery of MgSiO3 post-perovskite [1,2], many other important mineral phases have been proposed in the deep Earth’s interior. We have developed [3] and further enhanced [4] an evolutionary method for predicting the most stable crystal structure at given thermodynamic conditions. Here, I will illustrate several examples from our recent works. For example, we have predicted new phases of CaCO3, MgCO3 and CO2 at Earth’s mantle pressures, and many of these phases have already found experimental support [5-7]. These results shed new light on the behavior of carbon in the Earth’s mantle [7]. More recently, we have studied the behavior of methane at high pressures and temperatures [8], and we confirm that indeed CH4 should break down under pressure - first, into hydrocarbons (ethane, butane) and hydrogen, and then into diamond and hydrogen. Crucial role here is played by lattice vibrations (zero-point vibrations and entropic factor). These vibrational effects are frequently neglected, but we have demonstrated that without them the decomposition into diamond and hydrogen would not be possible. Considering variable-composition systems, we have demonstrated [9] that FeSi with the CsCl-type structure is the only iron silicide stable at pressures of the Earth’s inner core. Similar studies can be performed also for Fe-O, Fe-S, Fe-O and Fe-H systems, addressing the common assumptions on their behavior at ultrahigh pressures of the inner core. REFERENCES: [1] Murakami M., et al., Science 304, 855-858 (2004). [2] Oganov A.R., Ono S., Nature 430, 445-448 (2004). [3] Oganov A.R., Glass C.W., J. Chem. Phys. 124, 244704 (2006). [4] Lyakhov A.O., Oganov A.R., Valle M. Comp. Phys. Comm. 181, 1623-1632 (2010). [5] Oganov A.R., Glass C.W., Ono S., Earth Planet. Sci. Lett. 241, 95-103 (2006). [6] Ono S., Kikegawa T., Ohishi Y. Am. Mineral. 92, 1246-1249 (2007). [7] Oganov A.R., et al., Earth Planet. Sci. Lett. 273, 38-47 (2008). [8] Gao G., Oganov A

  19. Liver Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing liver cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  20. Colorectal Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing colorectal cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  1. Cervical Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing cervical cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  2. Prostate Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing prostate cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  3. Pancreatic Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing pancreatic cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  4. Colorectal Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing colorectal cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  5. Bladder Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing bladder cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  6. Esophageal Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing esophageal cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  7. Lung Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing lung cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  8. Breast Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing breast cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  9. Ovarian Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of developing ovarian cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  10. Testicular Cancer Risk Prediction Models

    Science.gov (United States)

    Developing statistical models that estimate the probability of testicular cervical cancer over a defined period of time will help clinicians identify individuals at higher risk of specific cancers, allowing for earlier or more frequent screening and counseling of behavioral changes to decrease risk.

  11. Determining the prediction limits of models and classifiers with applications for disruption prediction in JET

    Science.gov (United States)

    Murari, A.; Peluso, E.; Vega, J.; Gelfusa, M.; Lungaroni, M.; Gaudio, P.; Martínez, F. J.; Contributors, JET

    2017-01-01

    Understanding the many aspects of tokamak physics requires the development of quite sophisticated models. Moreover, in the operation of the devices, prediction of the future evolution of discharges can be of crucial importance, particularly in the case of the prediction of disruptions, which can cause serious damage to various parts of the machine. The determination of the limits of predictability is therefore an important issue for modelling, classifying and forecasting. In all these cases, once a certain level of performance has been reached, the question typically arises as to whether all the information available in the data has been exploited, or whether there are still margins for improvement of the tools being developed. In this paper, a theoretical information approach is proposed to address this issue. The excellent properties of the developed indicator, called the prediction factor (PF), have been proved with the help of a series of numerical tests. Its application to some typical behaviour relating to macroscopic instabilities in tokamaks has shown very positive results. The prediction factor has also been used to assess the performance of disruption predictors running in real time in the JET system, including the one systematically deployed in the feedback loop for mitigation purposes. The main conclusion is that the most advanced predictors basically exploit all the information contained in the locked mode signal on which they are based. Therefore, qualitative improvements in disruption prediction performance in JET would need the processing of additional signals, probably profiles.

  12. Game Theoretic Modeling of Water Resources Allocation Under Hydro-Climatic Uncertainty

    Science.gov (United States)

    Brown, C.; Lall, U.; Siegfried, T.

    2005-12-01

    Typical hydrologic and economic modeling approaches rely on assumptions of climate stationarity and economic conditions of ideal markets and rational decision-makers. In this study, we incorporate hydroclimatic variability with a game theoretic approach to simulate and evaluate common water allocation paradigms. Game Theory may be particularly appropriate for modeling water allocation decisions. First, a game theoretic approach allows economic analysis in situations where price theory doesn't apply, which is typically the case in water resources where markets are thin, players are few, and rules of exchange are highly constrained by legal or cultural traditions. Previous studies confirm that game theory is applicable to water resources decision problems, yet applications and modeling based on these principles is only rarely observed in the literature. Second, there are numerous existing theoretical and empirical studies of specific games and human behavior that may be applied in the development of predictive water allocation models. With this framework, one can evaluate alternative orderings and rules regarding the fraction of available water that one is allowed to appropriate. Specific attributes of the players involved in water resources management complicate the determination of solutions to game theory models. While an analytical approach will be useful for providing general insights, the variety of preference structures of individual players in a realistic water scenario will likely require a simulation approach. We propose a simulation approach incorporating the rationality, self-interest and equilibrium concepts of game theory with an agent-based modeling framework that allows the distinct properties of each player to be expressed and allows the performance of the system to manifest the integrative effect of these factors. Underlying this framework, we apply a realistic representation of spatio-temporal hydrologic variability and incorporate the impact of

  13. Posterior Predictive Model Checking in Bayesian Networks

    Science.gov (United States)

    Crawford, Aaron

    2014-01-01

    This simulation study compared the utility of various discrepancy measures within a posterior predictive model checking (PPMC) framework for detecting different types of data-model misfit in multidimensional Bayesian network (BN) models. The investigated conditions were motivated by an applied research program utilizing an operational complex…

  14. A Universe of ultradiffuse galaxies: theoretical predictions from ΛCDM simulations

    Science.gov (United States)

    Rong, Yu; Guo, Qi; Gao, Liang; Liao, Shihong; Xie, Lizhi; Puzia, Thomas H.; Sun, Shuangpeng; Pan, Jun

    2017-10-01

    A particular population of galaxies have drawn much interest recently, which are as faint as typical dwarf galaxies but have the sizes as large as L* galaxies, the so called ultradiffuse galaxies (UDGs). The lack of tidal features of UDGs in dense environments suggests that their host haloes are perhaps as massive as that of the Milky Way. On the other hand, galaxy formation efficiency should be much higher in the haloes of such masses. Here, we use the model galaxy catalogue generated by populating two large simulations: the Millennium-II cosmological simulation and Phoenix simulations of nine big clusters with the semi-analytic galaxy formation model. This model reproduces remarkably well the observed properties of UDGs in the nearby clusters, including the abundance, profile, colour and morphology, etc. We search for UDG candidates using the public data and find two UDG candidates in our Local Group and 23 in our Local Volume, in excellent agreement with the model predictions. We demonstrate that UDGs are genuine dwarf galaxies, formed in the haloes of ˜1010 M⊙. It is the combination of the late formation time and high spins of the host haloes that results in the spatially extended feature of this particular population. The lack of tidal disruption features of UDGs in clusters can also be explained by their late infall-time.

  15. A Course in... Model Predictive Control.

    Science.gov (United States)

    Arkun, Yaman; And Others

    1988-01-01

    Describes a graduate engineering course which specializes in model predictive control. Lists course outline and scope. Discusses some specific topics and teaching methods. Suggests final projects for the students. (MVL)

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

    Directory of Open Access Journals (Sweden)

    Jennifer Streiffer Mascaro

    2015-02-01

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

  17. Theoretical Predictions of Temperature-Induced Gelation in Aqueous Dispersions Containing PEO-Grafted Particles.

    Science.gov (United States)

    Xie, Fei; Woodward, Clifford E; Forsman, Jan

    2016-04-28

    In this work, we utilize classical polymer density functional theory (DFT) to study gelation in systems containing colloidal particles onto which polymers are grafted. The solution conditions are such that the corresponding bulk system displays a lower critical solution temperature (LCST). We specifically compare our predictions with experimental results by Shay et al. (J. Rheol. 2001, 45, 913-927), who investigated temperature response in aqueous dispersions containing polystyrene particles (PS), with grafted 45-mer poly(ethylene oxide) (PEO) chains. Our DFT treatment is based on a model for aqueous PEO solutions that was originally developed by Karlström for bulk solutions. In this model, monomers are assumed to be in either of two classes of states, labeled A and B, where B is more solvophobic than A. On the other hand, the degeneracy of B exceeds that of A, causing the population of solvophobic monomers to increase with temperature. In agreement with experimental findings by Shay et al., we locate gelation at temperatures considerably below TΘ, and far below the LCST for such chain lengths. This gelation occurs also without any dispersion interactions between the PS particles. Interestingly, the polymer-induced interaction free energy displays a nonmonotonic dependence on the grafting density. At high grafting densities, bridging attractions between grafted layers take place (considerably below TΘ). At low grafting densities, on the other hand, the polymers are able to bridge across to the other particle surface. Shay et al. conducted their experiments at very low ionic strength, using deionized water as a solvent. We demonstrate that even minute amounts of adsorbed charge on the surface of the particles, can lead to dramatic changes of the gelation temperature, especially at high grafting densities. Another interesting prediction is the existence of elongated (chainlike) equilibrium structures, at low particle concentrations. We emphasize that our model

  18. Equivalency and unbiasedness of grey prediction models

    Institute of Scientific and Technical Information of China (English)

    Bo Zeng; Chuan Li; Guo Chen; Xianjun Long

    2015-01-01

    In order to deeply research the structure discrepancy and modeling mechanism among different grey prediction mo-dels, the equivalence and unbiasedness of grey prediction mo-dels are analyzed and verified. The results show that al the grey prediction models that are strictly derived from x(0)(k) +az(1)(k) = b have the identical model structure and simulation precision. Moreover, the unbiased simulation for the homoge-neous exponential sequence can be accomplished. However, the models derived from dx(1)/dt+ax(1) =b are only close to those derived from x(0)(k)+az(1)(k)=b provided that|a|has to satisfy|a| < 0.1; neither could the unbiased simulation for the homoge-neous exponential sequence be achieved. The above conclusions are proved and verified through some theorems and examples.

  19. Predictability of extreme values in geophysical models

    Directory of Open Access Journals (Sweden)

    A. E. Sterk

    2012-09-01

    Full Text Available Extreme value theory in deterministic systems is concerned with unlikely large (or small values of an observable evaluated along evolutions of the system. In this paper we study the finite-time predictability of extreme values, such as convection, energy, and wind speeds, in three geophysical models. We study whether finite-time Lyapunov exponents are larger or smaller for initial conditions leading to extremes. General statements on whether extreme values are better or less predictable are not possible: the predictability of extreme values depends on the observable, the attractor of the system, and the prediction lead time.

  20. Presenting a Theoretical Model of Four Conceptions of Civic Education

    Science.gov (United States)

    Cohen, Aviv

    2010-01-01

    This conceptual study will question the ways different epistemological conceptions of citizenship and education influence the characteristics of civic education. While offering a new theoretical framework, the different undercurrent conceptions that lay at the base of the civic education process shall be brought forth. With the use of the method…

  1. Hybrid modeling and prediction of dynamical systems

    Science.gov (United States)

    Lloyd, Alun L.; Flores, Kevin B.

    2017-01-01

    Scientific analysis often relies on the ability to make accurate predictions of a system’s dynamics. Mechanistic models, parameterized by a number of unknown parameters, are often used for this purpose. Accurate estimation of the model state and parameters prior to prediction is necessary, but may be complicated by issues such as noisy data and uncertainty in parameters and initial conditions. At the other end of the spectrum exist nonparametric methods, which rely solely on data to build their predictions. While these nonparametric methods do not require a model of the system, their performance is strongly influenced by the amount and noisiness of the data. In this article, we consider a hybrid approach to modeling and prediction which merges recent advancements in nonparametric analysis with standard parametric methods. The general idea is to replace a subset of a mechanistic model’s equations with their corresponding nonparametric representations, resulting in a hybrid modeling and prediction scheme. Overall, we find that this hybrid approach allows for more robust parameter estimation and improved short-term prediction in situations where there is a large uncertainty in model parameters. We demonstrate these advantages in the classical Lorenz-63 chaotic system and in networks of Hindmarsh-Rose neurons before application to experimentally collected structured population data. PMID:28692642

  2. Risk terrain modeling predicts child maltreatment.

    Science.gov (United States)

    Daley, Dyann; Bachmann, Michael; Bachmann, Brittany A; Pedigo, Christian; Bui, Minh-Thuy; Coffman, Jamye

    2016-12-01

    As indicated by research on the long-term effects of adverse childhood experiences (ACEs), maltreatment has far-reaching consequences for affected children. Effective prevention measures have been elusive, partly due to difficulty in identifying vulnerable children before they are harmed. This study employs Risk Terrain Modeling (RTM), an analysis of the cumulative effect of environmental factors thought to be conducive for child maltreatment, to create a highly accurate prediction model for future substantiated child maltreatment cases in the City of Fort Worth, Texas. The model is superior to commonly used hotspot predictions and more beneficial in aiding prevention efforts in a number of ways: 1) it identifies the highest risk areas for future instances of child maltreatment with improved precision and accuracy; 2) it aids the prioritization of risk-mitigating efforts by informing about the relative importance of the most significant contributing risk factors; 3) since predictions are modeled as a function of easily obtainable data, practitioners do not have to undergo the difficult process of obtaining official child maltreatment data to apply it; 4) the inclusion of a multitude of environmental risk factors creates a more robust model with higher predictive validity; and, 5) the model does not rely on a retrospective examination of past instances of child maltreatment, but adapts predictions to changing environmental conditions. The present study introduces and examines the predictive power of this new tool to aid prevention efforts seeking to improve the safety, health, and wellbeing of vulnerable children.

  3. Prediction of nonlinear optical properties of organic materials. General theoretical considerations

    Science.gov (United States)

    Cardelino, B.; Moore, C.; Zutaut, S.

    1993-01-01

    The prediction of nonlinear optical properties of organic materials is geared to assist materials scientists in the selection of good candidate molecules. A brief summary of the quantum mechanical methods used for estimating hyperpolarizabilities will be presented. The advantages and limitations of each technique will be discussed. Particular attention will be given to the finite-field method for calculating first and second order hyperpolarizabilities, since this method is better suited for large molecules. Corrections for dynamic fields and bulk effects will be discussed in detail, focusing on solvent effects, conformational isomerization, core effects, dispersion, and hydrogen bonding. Several results will be compared with data obtained from third-harmonic-generation (THG) and dc-induced second harmonic generation (EFISH) measurements. These comparisons will demonstrate the qualitative ability of the method to predict the relative strengths of hyperpolarizabilities of a class of compounds. The future application of molecular mechanics, as well as other techniques, in the study of bulk properties and solid state defects will be addressed. The relationship between large values for nonlinear optical properties and large conjugation lengths is well known, and is particularly important for third-order processes. For this reason, the materials with the largest observed nonresonant third-order properties are conjugated polymers. An example of this type of polymer is polydiacetylene. One of the problems in dealing with polydiacetylene is that substituents which may enhance its nonlinear properties may ultimately prevent it from polymerizing. A model which attempts to predict the likelihood of solid-state polymerization is considered, along with the implications of the assumptions that are used. Calculations of the third-order optical properties and their relationship to first-order properties and energy gaps will be discussed. The relationship between monomeric and

  4. Property predictions using microstructural modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wang, K.G. [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, CII 9219, 110 8th Street, Troy, NY 12180-3590 (United States)]. E-mail: wangk2@rpi.edu; Guo, Z. [Sente Software Ltd., Surrey Technology Centre, 40 Occam Road, Guildford GU2 7YG (United Kingdom); Sha, W. [Metals Research Group, School of Civil Engineering, Architecture and Planning, The Queen' s University of Belfast, Belfast BT7 1NN (United Kingdom); Glicksman, M.E. [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, CII 9219, 110 8th Street, Troy, NY 12180-3590 (United States); Rajan, K. [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, CII 9219, 110 8th Street, Troy, NY 12180-3590 (United States)

    2005-07-15

    Precipitation hardening in an Fe-12Ni-6Mn maraging steel during overaging is quantified. First, applying our recent kinetic model of coarsening [Phys. Rev. E, 69 (2004) 061507], and incorporating the Ashby-Orowan relationship, we link quantifiable aspects of the microstructures of these steels to their mechanical properties, including especially the hardness. Specifically, hardness measurements allow calculation of the precipitate size as a function of time and temperature through the Ashby-Orowan relationship. Second, calculated precipitate sizes and thermodynamic data determined with Thermo-Calc[copyright] are used with our recent kinetic coarsening model to extract diffusion coefficients during overaging from hardness measurements. Finally, employing more accurate diffusion parameters, we determined the hardness of these alloys independently from theory, and found agreement with experimental hardness data. Diffusion coefficients determined during overaging of these steels are notably higher than those found during the aging - an observation suggesting that precipitate growth during aging and precipitate coarsening during overaging are not controlled by the same diffusion mechanism.

  5. Experimental and theoretical analysis of a method to predict thermal runaway in Li-ion cells

    Science.gov (United States)

    Shah, Krishna; Chalise, Divya; Jain, Ankur

    2016-10-01

    Thermal runaway is a well-known safety concern in Li-ion cells. Methods to predict and prevent thermal runaway are critically needed for enhanced safety and performance. While much work has been done on understanding the kinetics of various heat generation processes during thermal runaway, relatively lesser work exists on understanding how heat removal from the cell influences thermal runaway. Through a unified analysis of heat generation and heat removal, this paper derives and experimentally validates a non-dimensional parameter whose value governs whether or not thermal runaway will occur in a Li-ion cell. This parameter is named the Thermal Runaway Number (TRN), and comprises contributions from thermal transport within and outside the cell, as well as the temperature dependence of heat generation rate. Experimental data using a 26650 thermal test cell are in good agreement with the model, and demonstrate the dependence of thermal runaway on various thermal transport and heat generation parameters. This parameter is used to predict the thermal design space in which the cell will or will not experience thermal runaway. By combining all thermal processes contributing to thermal runaway in a single parameter, this work contributes towards a unified understanding of thermal runaway, and provides the fundamental basis for design tools for safe, high-performance Li-ion batteries.

  6. Lepton Flavor Violation in Predictive SUSY-GUT Models

    Energy Technology Data Exchange (ETDEWEB)

    Albright, Carl H.; /Northern Illinois U. /Fermilab; Chen, Mu-Chun; /UC, Irvine

    2008-02-01

    There have been many theoretical models constructed which aim to explain the neutrino masses and mixing patterns. While many of the models will be eliminated once more accurate determinations of the mixing parameters, especially sin{sup 2} 2{theta}{sub 13}, are obtained, charged lepton flavor violation (LFV) experiments are able to differentiate even further among the models. In this paper, they investigate various rare LFV processes, such as {ell}{sub i} {yields} {ell}{sub j} + {gamma} and {mu} - e conversion, in five predictive SUSY SO(10) models and their allowed soft SUSY breaking parameter space in the constrained minimal SUSY standard model (CMSSM). Utilizing the WMAP dark matter constraints, they obtain lower bounds on the branching ratios of these rare processes and find that at least three of the five models they consider give rise to predictions for {mu} {yields} e + {gamma} that will be tested by the MEG collaboration at PSI. in addition, the next generation {mu} - e conversion experiment has sensitivity to the predictions of all five models, making it an even more robust way to test these models. While generic studies have emphasized the dependence of the branching ratios of these rare processes on the reactor neutrino angle, {theta}{sub 13}, and the mass of the heaviest right-handed neutrino, M{sub 3}, they find very massive M{sub 3} is more significant than large {theta}{sub 13} in leading to branching ratios near to the present upper limits.

  7. Determining Student Competency in Field Placements: An Emerging Theoretical Model

    Directory of Open Access Journals (Sweden)

    Twyla L. Salm

    2016-06-01

    Full Text Available This paper describes a qualitative case study that explores how twenty-three field advisors, representing three human service professions including education, nursing, and social work, experience the process of assessment with students who are struggling to meet minimum competencies in field placements. Five themes emerged from the analysis of qualitative interviews. The field advisors primary concern was the level of professional competency achieved by practicum students. Related to competency were themes concerned with the field advisor's role in being accountable and protecting the reputation of his/her profession as well as the reputation of the professional program affiliated with the practicum student's professional education. The final theme – teacher-student relationship –emerged from the data, both as a stand-alone and global or umbrella theme. As an umbrella theme, teacher-student relationship permeated each of the other themes as the participants interpreted their experiences of the process of assessment through the mentor relationships. A theoretical model was derived from these findings and the description of the model is presented. Cet article décrit une étude de cas qualitative qui explore comment vingt-trois conseillers de stages, représentant trois professions de services sociaux comprenant l’éducation, les soins infirmiers et le travail social, ont vécu l’expérience du processus d’évaluation avec des étudiants qui ont des difficultés à acquérir les compétences minimales durant les stages. Cinq thèmes ont été identifiés lors de l’analyse des entrevues qualitatives. La préoccupation principale des conseillers de stages était le niveau de compétence professionnelle acquis par les stagiaires. Les thèmes liés à la compétence étaient le rôle des conseillers de stages dans leur responsabilité pour protéger la réputation de leur profession ainsi que la réputation d’un programme professionnel

  8. Prediction of soot-water partition coefficients for selected persistent organic pollutants from theoretical molecular descriptors

    Institute of Scientific and Technical Information of China (English)

    Qing Zhang; Jun Huang; Gang Yu

    2008-01-01

    Quantitative structure-property relationship (QSPR) models were developed for soot-water partition coefficient (KSC) values of selected persistent organic pollutants (POPs), I.e. 10 polychlorinated dibenzo-p-dioxins and dibenzofurans, nine polychlorinated biphe-nyls, four polycyclic aromatic hydrocarbons and two polybrominated diphenyl ethers, using partial least squares (PLS) regression. Quan-tum chemical descriptors computed by parameterized model revision 3 Hamiltonian method were used as predictor variables. The cross-validated Q2cum value for the optimal QSPR model is 0.844, indicating a good predictive capability for the logKsc values of these chem-icals. The QSPR results showed that average molecular polarizability (α), standard heat of formation (△Hf) and energy of the lowest unoccupied molecular orbital (ELUMO) have dominant effects on Ksc of POPs. The results suggested that logKSC values of POPs increase with the increase of α. Contrarily, logKSC values decrease with the increase of ELUMO and △Hf of POPs.

  9. Modeling and Prediction Using Stochastic Differential Equations

    DEFF Research Database (Denmark)

    Juhl, Rune; Møller, Jan Kloppenborg; Jørgensen, John Bagterp

    2016-01-01

    Pharmacokinetic/pharmakodynamic (PK/PD) modeling for a single subject is most often performed using nonlinear models based on deterministic ordinary differential equations (ODEs), and the variation between subjects in a population of subjects is described using a population (mixed effects) setup...... that describes the variation between subjects. The ODE setup implies that the variation for a single subject is described by a single parameter (or vector), namely the variance (covariance) of the residuals. Furthermore the prediction of the states is given as the solution to the ODEs and hence assumed...... deterministic and can predict the future perfectly. A more realistic approach would be to allow for randomness in the model due to e.g., the model be too simple or errors in input. We describe a modeling and prediction setup which better reflects reality and suggests stochastic differential equations (SDEs...

  10. Precision Plate Plan View Pattern Predictive Model

    Institute of Scientific and Technical Information of China (English)

    ZHAO Yang; YANG Quan; HE An-rui; WANG Xiao-chen; ZHANG Yun

    2011-01-01

    According to the rolling features of plate mill, a 3D elastic-plastic FEM (finite element model) based on full restart method of ANSYS/LS-DYNA was established to study the inhomogeneous plastic deformation of multipass plate rolling. By analyzing the simulation results, the difference of head and tail ends predictive models was found and modified. According to the numerical simulation results of 120 different kinds of conditions, precision plate plan view pattern predictive model was established. Based on these models, the sizing MAS (mizushima automatic plan view pattern control system) method was designed and used on a 2 800 mm plate mill. Comparing the rolled plates with and without PVPP (plan view pattern predictive) model, the reduced width deviation indicates that the olate !olan view Dattern predictive model is preeise.

  11. Modelling drying kinetics of thyme (Thymus vulgaris L.): theoretical and empirical models, and neural networks.

    Science.gov (United States)

    Rodríguez, J; Clemente, G; Sanjuán, N; Bon, J

    2014-01-01

    The drying kinetics of thyme was analyzed by considering different conditions: air temperature of between 40°C  and 70°C , and air velocity of 1 m/s. A theoretical diffusion model and eight different empirical models were fitted to the experimental data. From the theoretical model application, the effective diffusivity per unit area of the thyme was estimated (between 3.68 × 10(-5) and 2.12 × 10 (-4) s(-1)). The temperature dependence of the effective diffusivity was described by the Arrhenius relationship with activation energy of 49.42 kJ/mol. Eight different empirical models were fitted to the experimental data. Additionally, the dependence of the parameters of each model on the drying temperature was determined, obtaining equations that allow estimating the evolution of the moisture content at any temperature in the established range. Furthermore, artificial neural networks were developed and compared with the theoretical and empirical models using the percentage of the relative errors and the explained variance. The artificial neural networks were found to be more accurate predictors of moisture evolution with VAR ≥ 99.3% and ER ≤ 8.7%.

  12. Speed enforcement in Norway: Testing a game-theoretic model of the interaction between drivers and the police.

    Science.gov (United States)

    Elvik, Rune

    2015-11-01

    This paper probes the relationship between changes in the risk of apprehension for speeding in Norway and changes in the amount of speeding. The paper is based on a game-theoretic model of how the rate of violations and the amount of enforcement is determined by the interaction between drivers and the police. This model makes predictions both about how drivers will adapt to changes in the amount of enforcement (the more enforcement, the less violations) as well as how the police will adapt to changes in the rate of violations (the less violations, the less enforcement). The paper attempts to test the game-theoretic model empirically. Testing the model rigorously is difficult, mainly because some of the relevant variables are not reliably measured and are endogenous. Two models were developed: one to identify sources of changes in the rate of violations, one to identify sources of changes in the amount of enforcement. The predictions of the game-theoretic model were supported, although the results were not statistically significant in the model of how the police adapt enforcement to changes in the rate of violations.

  13. NBC Hazard Prediction Model Capability Analysis

    Science.gov (United States)

    1999-09-01

    Puff( SCIPUFF ) Model Verification and Evaluation Study, Air Resources Laboratory, NOAA, May 1998. Based on the NOAA review, the VLSTRACK developers...TO SUBSTANTIAL DIFFERENCES IN PREDICTIONS HPAC uses a transport and dispersion (T&D) model called SCIPUFF and an associated mean wind field model... SCIPUFF is a model for atmospheric dispersion that uses the Gaussian puff method - an arbitrary time-dependent concentration field is represented

  14. Charge transport model to predict intrinsic reliability for dielectric materials

    Energy Technology Data Exchange (ETDEWEB)

    Ogden, Sean P. [Howard P. Isermann Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); GLOBALFOUNDRIES, 400 Stonebreak Rd. Ext., Malta, New York 12020 (United States); Borja, Juan; Plawsky, Joel L., E-mail: plawsky@rpi.edu; Gill, William N. [Howard P. Isermann Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Lu, T.-M. [Department of Physics, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Yeap, Kong Boon [GLOBALFOUNDRIES, 400 Stonebreak Rd. Ext., Malta, New York 12020 (United States)

    2015-09-28

    Several lifetime models, mostly empirical in nature, are used to predict reliability for low-k dielectrics used in integrated circuits. There is a dispute over which model provides the most accurate prediction for device lifetime at operating conditions. As a result, there is a need to transition from the use of these largely empirical models to one built entirely on theory. Therefore, a charge transport model was developed to predict the device lifetime of low-k interconnect systems. The model is based on electron transport and donor-type defect formation. Breakdown occurs when a critical defect concentration accumulates, resulting in electron tunneling and the emptying of positively charged traps. The enhanced local electric field lowers the barrier for electron injection into the dielectric, causing a positive feedforward failure. The charge transport model is able to replicate experimental I-V and I-t curves, capturing the current decay at early stress times and the rapid current increase at failure. The model is based on field-driven and current-driven failure mechanisms and uses a minimal number of parameters. All the parameters have some theoretical basis or have been measured experimentally and are not directly used to fit the slope of the time-to-failure versus applied field curve. Despite this simplicity, the model is able to accurately predict device lifetime for three different sources of experimental data. The simulation's predictions at low fields and very long lifetimes show that the use of a single empirical model can lead to inaccuracies in device reliability.

  15. Surge motion of an ice floe in waves: comparison of theoretical and experimental models

    CERN Document Server

    Meylan, Michael; Bennetts, Luke; French, Benjamin; Thomas, Giles

    2014-01-01

    A theoretical model and an experimental model of surge motions of an ice floe due to regular waves are presented. The theoretical model is a modified version of Morrison's equation, valid for small floating bodies. The experimental model is implemented in a wave basin at scale 1:100, using a thin plastic disk to model the floe. The processed experimental data displays a regime change in surge amplitude when the incident wavelength is approximately twice the floe diameter. It is shown that the theoretical model is accurate in the large wavelength regime, but highly inaccurate for the small wavelength regime.

  16. Theoretical models of ferromagnetic III-V semiconductors

    OpenAIRE

    Jungwirth, T.; Sinova, Jairo; Kučera, J.; MacDonald, A. H.

    2002-01-01

    Recent materials research has advanced the maximum ferromagnetic transition temperature in semiconductors containing magnetic elements toward room temperature. Reaching this goal would make information technology applications of these materials likely. In this article we briefly review the status of work over the past five years which has attempted to achieve a theoretical understanding of these complex magnetic systems. The basic microscopic origins of ferromagnetism in the (III,Mn)V compoun...

  17. Theoretical modeling of orientational effects in liquid-crystal layers

    Science.gov (United States)

    Melnikova, E. A.

    2005-11-01

    In the work the approximate analytical relations describing the director distribution in depth of a plane-parallel layer of nematic liquid crystal are presented. The analytical expression determining the orientational effect of the periodic surface in a system "relief grating - liquid crystal" is derived. Its diffraction characteristics are studied theoretically. Relaxation kinetics of the director in a plane-parallel layer of nematic liquid crystal is considered taking account of the microscopic inertia moment.

  18. Bayesian Fundamentalism or Enlightenment? On the explanatory status and theoretical contributions of Bayesian models of cognition.

    Science.gov (United States)

    Jones, Matt; Love, Bradley C

    2011-08-01

    The prominence of Bayesian modeling of cognition has increased recently largely because of mathematical advances in specifying and deriving predictions from complex probabilistic models. Much of this research aims to demonstrate that cognitive behavior can be explained from rational principles alone, without recourse to psychological or neurological processes and representations. We note commonalities between this rational approach and other movements in psychology - namely, Behaviorism and evolutionary psychology - that set aside mechanistic explanations or make use of optimality assumptions. Through these comparisons, we identify a number of challenges that limit the rational program's potential contribution to psychological theory. Specifically, rational Bayesian models are significantly unconstrained, both because they are uninformed by a wide range of process-level data and because their assumptions about the environment are generally not grounded in empirical measurement. The psychological implications of most Bayesian models are also unclear. Bayesian inference itself is conceptually trivial, but strong assumptions are often embedded in the hypothesis sets and the approximation algorithms used to derive model predictions, without a clear delineation between psychological commitments and implementational details. Comparing multiple Bayesian models of the same task is rare, as is the realization that many Bayesian models recapitulate existing (mechanistic level) theories. Despite the expressive power of current Bayesian models, we argue they must be developed in conjunction with mechanistic considerations to offer substantive explanations of cognition. We lay out several means for such an integration, which take into account the representations on which Bayesian inference operates, as well as the algorithms and heuristics that carry it out. We argue this unification will better facilitate lasting contributions to psychological theory, avoiding the pitfalls

  19. Optimal model-free prediction from multivariate time series.

    Science.gov (United States)

    Runge, Jakob; Donner, Reik V; Kurths, Jürgen

    2015-05-01

    Forecasting a time series from multivariate predictors constitutes a challenging problem, especially using model-free approaches. Most techniques, such as nearest-neighbor prediction, quickly suffer from the curse of dimensionality and overfitting for more than a few predictors which has limited their application mostly to the univariate case. Therefore, selection strategies are needed that harness the available information as efficiently as possible. Since often the right combination of predictors matters, ideally all subsets of possible predictors should be tested for their predictive power, but the exponentially growing number of combinations makes such an approach computationally prohibitive. Here a prediction scheme that overcomes this strong limitation is introduced utilizing a causal preselection step which drastically reduces the number of possible predictors to the most predictive set of causal drivers making a globally optimal search scheme tractable. The information-theoretic optimality is derived and practical selection criteria are discussed. As demonstrated for multivariate nonlinear stochastic delay processes, the optimal scheme can even be less computationally expensive than commonly used suboptimal schemes like forward selection. The method suggests a general framework to apply the optimal model-free approach to select variables and subsequently fit a model to further improve a prediction or learn statistical dependencies. The performance of this framework is illustrated on a climatological index of El Niño Southern Oscillation.

  20. Wettability of graphitic-carbon and silicon surfaces: MD modeling and theoretical analysis

    Science.gov (United States)

    Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.

    2015-07-01

    The wettability of graphitic carbon and silicon surfaces was numerically and theoretically investigated. A multi-response method has been developed for the analysis of conventional molecular dynamics (MD) simulations of droplets wettability. The contact angle and indicators of the quality of the computations are tracked as a function of the data sets analyzed over time. This method of analysis allows accurate calculations of the contact angle obtained from the MD simulations. Analytical models were also developed for the calculation of the work of adhesion using the mean-field theory, accounting for the interfacial entropy changes. A calibration method is proposed to provide better predictions of the respective contact angles under different solid-liquid interaction potentials. Estimations of the binding energy between a water monomer and graphite match those previously reported. In addition, a breakdown in the relationship between the binding energy and the contact angle was observed. The macroscopic contact angles obtained from the MD simulations were found to match those predicted by the mean-field model for graphite under different wettability conditions, as well as the contact angles of Si(100) and Si(111) surfaces. Finally, an assessment of the effect of the Lennard-Jones cutoff radius was conducted to provide guidelines for future comparisons between numerical simulations and analytical models of wettability.

  1. Modelling Chemical Reasoning to Predict Reactions

    CERN Document Server

    Segler, Marwin H S

    2016-01-01

    The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and 8.2 million binary reactions, which represents the bulk of all chemical reactions ever published in the scientific literature. Our model outperforms a rule-based expert system in the reaction prediction task for 180,000 randomly selected binary reactions. We show that our data-driven model generalises even beyond known reaction types, and is thus capable of effectively (re-) discovering novel transformations (even including transition-metal catalysed reactions). Our model enables computers to infer hypotheses about reactivity and reactions by only considering the intrinsic local structure of the graph, and because each single reaction prediction is typically ac...

  2. The custodially protected Randall-Sundrum model. Theoretical aspects and flavour phenomenology

    Energy Technology Data Exchange (ETDEWEB)

    Blanke, Monika

    2009-07-24

    Models with a warped extra dimension, so-called Randall-Sundrum models, provide an appealing solution to the gauge and flavour hierarchy problems of the Standard Model. After introducing the theoretical basics of such models, we concentrate on a specific model whose symmetry structure is extended to protect the T parameter and the Zb{sub L} anti b{sub L} coupling from large corrections. We introduce the basic action and discuss in detail effects of electroweak symmetry breaking and the flavour structure of the model. Then we analyse meson-antimeson mixing and rare decays that are affected by new tree level contributions from the Kaluza-Klein modes of the gauge bosons and from the Z boson in an important manner. After deriving analytic expressions for the most important K and B physics observables, we perform a global numerical analysis of the new effects in the model in question. We confirm the recent findings that a stringent constraint on the model is placed by CP-violation in K{sup 0} - anti K{sup 0} mixing. However, even for Kaluza-Klein particles in the reach of the LHC an agreement with all available data can be obtained without significant fine-tuning. We find possible large effects in either CP-violating effects in the B{sub s} - anti B{sub s} system or in the rare K decays, but not simultaneously. In any case the deviations from the Standard Model predictions in the rare B decays are small and difficult to measure. The specific pattern of new flavour effects allows to distinguish this model from other New Physics frameworks, which we demonstrate explicitly for the case of models with Minimal Flavour Violation and for the Littlest Higgs model with T-parity. (orig.)

  3. Development of Children's Creative Visual Imagination: A Theoretical Model and Enhancement Programmes

    Science.gov (United States)

    Dziedziewicz, Dorota; Karwowski, Maciej

    2015-01-01

    This paper presents a new theoretical model of creative imagination and its applications in early education. The model sees creative imagination as composed of three inter-related components: vividness of images, their originality, and the level of transformation of imageries. We explore the theoretical and practical consequences of this new…

  4. Predicting People's Environmental Behaviour: Theory of Planned Behaviour and Model of Responsible Environmental Behaviour

    Science.gov (United States)

    Chao, Yu-Long

    2012-01-01

    Using different measures of self-reported and other-reported environmental behaviour (EB), two important theoretical models explaining EB--Hines, Hungerford and Tomera's model of responsible environmental behaviour (REB) and Ajzen's theory of planned behaviour (TPB)--were compared regarding the fit between model and data, predictive ability,…

  5. Predicting People's Environmental Behaviour: Theory of Planned Behaviour and Model of Responsible Environmental Behaviour

    Science.gov (United States)

    Chao, Yu-Long

    2012-01-01

    Using different measures of self-reported and other-reported environmental behaviour (EB), two important theoretical models explaining EB--Hines, Hungerford and Tomera's model of responsible environmental behaviour (REB) and Ajzen's theory of planned behaviour (TPB)--were compared regarding the fit between model and data, predictive ability,…

  6. Economic model predictive control theory, formulations and chemical process applications

    CERN Document Server

    Ellis, Matthew; Christofides, Panagiotis D

    2017-01-01

    This book presents general methods for the design of economic model predictive control (EMPC) systems for broad classes of nonlinear systems that address key theoretical and practical considerations including recursive feasibility, closed-loop stability, closed-loop performance, and computational efficiency. Specifically, the book proposes: Lyapunov-based EMPC methods for nonlinear systems; two-tier EMPC architectures that are highly computationally efficient; and EMPC schemes handling explicitly uncertainty, time-varying cost functions, time-delays and multiple-time-scale dynamics. The proposed methods employ a variety of tools ranging from nonlinear systems analysis, through Lyapunov-based control techniques to nonlinear dynamic optimization. The applicability and performance of the proposed methods are demonstrated through a number of chemical process examples. The book presents state-of-the-art methods for the design of economic model predictive control systems for chemical processes. In addition to being...

  7. A Thermodamage Strength Theoretical Model of Ceramic Materials Taking into Account the Effect of Residual Stress

    Directory of Open Access Journals (Sweden)

    Weiguo Li

    2012-01-01

    Full Text Available A thermodamage strength theoretical model taking into account the effect of residual stress was established and applied to each temperature phase based on the study of effects of various physical mechanisms on the fracture strength of ultrahigh-temperature ceramics. The effects of SiC particle size, crack size, and SiC particle volume fraction on strength corresponding to different temperatures were studied in detail. This study showed that when flaw size is not large, the bigger SiC particle size results in the greater effect of tensile residual stress in the matrix grains on strength reduction, and this prediction coincides with experimental results; and the residual stress and the combined effort of particle size and crack size play important roles in controlling material strength.

  8. A Theoretical Model for the Hormetic Dose-response Curve for Anticancer Agents.

    Science.gov (United States)

    Yoshimasu, Tatsuya; Ohashi, Takuya; Oura, Shoji; Kokawa, Yozo; Kawago, Mitsumasa; Hirai, Yoshimitsu; Miyasaka, Miwako; Nishiguchi, Haruka; Kawashima, Sayoko; Yata, Yumi; Honda, Mariko; Fujimoto, Takahiro; Okamura, Yoshitaka

    2015-11-01

    In the present article, we quantitatively evaluated the dose-response relationship of hormetic reactions of anticancer agents in vitro. Serial dilutions of gemcitabine, cisplatin, 5-fluorouracil, vinorelbine, and paclitaxel were administered to the A549 non-small-cell lung cancer cell line. The bi-phasic sigmoidal curve with hormetic and cytotoxic effects is given by the formula y=(a-b/(1+exp(c(*)log(x)-d)))/(1+exp(e(*)log(x)-f)), that was used to perform a non-linear least square regression. The dose-responses of the five anticancer agents were fitted to this equation. Gemcitabine and 5-fluorouracil, which had the lowest ED50 for their hormetic reaction, had the most pronounced promotive effects out of the five anticancer agents tested. The hormetic reaction progressed exponentially with culturing time. Our theoretical model will be useful in predicting how hormetic reactions affect patients with malignant tumors.

  9. Hidden Semi-Markov Models for Predictive Maintenance

    Directory of Open Access Journals (Sweden)

    Francesco Cartella

    2015-01-01

    Full Text Available Realistic predictive maintenance approaches are essential for condition monitoring and predictive maintenance of industrial machines. In this work, we propose Hidden Semi-Markov Models (HSMMs with (i no constraints on the state duration density function and (ii being applied to continuous or discrete observation. To deal with such a type of HSMM, we also propose modifications to the learning, inference, and prediction algorithms. Finally, automatic model selection has been made possible using the Akaike Information Criterion. This paper describes the theoretical formalization of the model as well as several experiments performed on simulated and real data with the aim of methodology validation. In all performed experiments, the model is able to correctly estimate the current state and to effectively predict the time to a predefined event with a low overall average absolute error. As a consequence, its applicability to real world settings can be beneficial, especially where in real time the Remaining Useful Lifetime (RUL of the machine is calculated.

  10. A theoretical model of the application of RF energy to the airway wall and its experimental validation

    Directory of Open Access Journals (Sweden)

    Brown Robert H

    2010-11-01

    Full Text Available Abstract Background Bronchial thermoplasty is a novel technique designed to reduce an airway's ability to contract by reducing the amount of airway smooth muscle through controlled heating of the airway wall. This method has been examined in animal models and as a treatment for asthma in human subjects. At the present time, there has been little research published about how radiofrequency (RF energy and heat is transferred to the airways of the lung during bronchial thermoplasty procedures. In this manuscript we describe a computational, theoretical model of the delivery of RF energy to the airway wall. Methods An electro-thermal finite-element-analysis model was designed to simulate the delivery of temperature controlled RF energy to airway walls of the in vivo lung. The model includes predictions of heat generation due to RF joule heating and transfer of heat within an airway wall due to thermal conduction. To implement the model, we use known physical characteristics and dimensions of the airway and lung tissues. The model predictions were tested with measurements of temperature, impedance, energy, and power in an experimental canine model. Results Model predictions of electrode temperature, voltage, and current, along with tissue impedance and delivered energy were compared to experiment measurements and were within ± 5% of experimental averages taken over 157 sample activations. The experimental results show remarkable agreement with the model predictions, and thus validate the use of this model to predict the heat generation and transfer within the airway wall following bronchial thermoplasty. Conclusions The model also demonstrated the importance of evaporation as a loss term that affected both electrical measurements and heat distribution. The model predictions showed excellent agreement with the empirical results, and thus support using the model to develop the next generation of devices for bronchial thermoplasty. Our results suggest

  11. Evaluation of CASP8 model quality predictions

    KAUST Repository

    Cozzetto, Domenico

    2009-01-01

    The model quality assessment problem consists in the a priori estimation of the overall and per-residue accuracy of protein structure predictions. Over the past years, a number of methods have been developed to address this issue and CASP established a prediction category to evaluate their performance in 2006. In 2008 the experiment was repeated and its results are reported here. Participants were invited to infer the correctness of the protein models submitted by the registered automatic servers. Estimates could apply to both whole models and individual amino acids. Groups involved in the tertiary structure prediction categories were also asked to assign local error estimates to each predicted residue in their own models and their results are also discussed here. The correlation between the predicted and observed correctness measures was the basis of the assessment of the results. We observe that consensus-based methods still perform significantly better than those accepting single models, similarly to what was concluded in the previous edition of the experiment. © 2009 WILEY-LISS, INC.

  12. High Speed Research Noise Prediction Code (HSRNOISE) User's and Theoretical Manual

    Science.gov (United States)

    Golub, Robert (Technical Monitor); Rawls, John W., Jr.; Yeager, Jessie C.

    2004-01-01

    This report describes a computer program, HSRNOISE, that predicts noise levels for a supersonic aircraft powered by mixed flow turbofan engines with rectangular mixer-ejector nozzles. It fully documents the noise prediction algorithms, provides instructions for executing the HSRNOISE code, and provides predicted noise levels for the High Speed Research (HSR) program Technology Concept (TC) aircraft. The component source noise prediction algorithms were developed jointly by Boeing, General Electric Aircraft Engines (GEAE), NASA and Pratt & Whitney during the course of the NASA HSR program. Modern Technologies Corporation developed an alternative mixer ejector jet noise prediction method under contract to GEAE that has also been incorporated into the HSRNOISE prediction code. Algorithms for determining propagation effects and calculating noise metrics were taken from the NASA Aircraft Noise Prediction Program.

  13. Genetic models of homosexuality: generating testable predictions

    OpenAIRE

    Gavrilets, Sergey; Rice, William R.

    2006-01-01

    Homosexuality is a common occurrence in humans and other species, yet its genetic and evolutionary basis is poorly understood. Here, we formulate and study a series of simple mathematical models for the purpose of predicting empirical patterns that can be used to determine the form of selection that leads to polymorphism of genes influencing homosexuality. Specifically, we develop theory to make contrasting predictions about the genetic characteristics of genes influencing homosexuality inclu...

  14. Wind farm production prediction - The Zephyr model

    Energy Technology Data Exchange (ETDEWEB)

    Landberg, L. [Risoe National Lab., Wind Energy Dept., Roskilde (Denmark); Giebel, G. [Risoe National Lab., Wind Energy Dept., Roskilde (Denmark); Madsen, H. [IMM (DTU), Kgs. Lyngby (Denmark); Nielsen, T.S. [IMM (DTU), Kgs. Lyngby (Denmark); Joergensen, J.U. [Danish Meteorologisk Inst., Copenhagen (Denmark); Lauersen, L. [Danish Meteorologisk Inst., Copenhagen (Denmark); Toefting, J. [Elsam, Fredericia (DK); Christensen, H.S. [Eltra, Fredericia (Denmark); Bjerge, C. [SEAS, Haslev (Denmark)

    2002-06-01

    This report describes a project - funded by the Danish Ministry of Energy and the Environment - which developed a next generation prediction system called Zephyr. The Zephyr system is a merging between two state-of-the-art prediction systems: Prediktor of Risoe National Laboratory and WPPT of IMM at the Danish Technical University. The numerical weather predictions were generated by DMI's HIRLAM model. Due to technical difficulties programming the system, only the computational core and a very simple version of the originally very complex system were developed. The project partners were: Risoe, DMU, DMI, Elsam, Eltra, Elkraft System, SEAS and E2. (au)

  15. Theoretical and practical aspects of modelling activated sludge processes

    NARCIS (Netherlands)

    Meijer, S.C.F.

    2004-01-01

    This thesis describes the full-scale validation and calibration of a integrated metabolic activated sludge model for biological phosphorus removal. In chapters 1 and 2 the metabolic model is described, in chapters 3 to 6 the model is tested and in chapters 7 and 8 the model is put into practice.

  16. Theoretical and practical aspects of modelling activated sludge processes

    NARCIS (Netherlands)

    Meijer, S.C.F.

    2004-01-01

    This thesis describes the full-scale validation and calibration of a integrated metabolic activated sludge model for biological phosphorus removal. In chapters 1 and 2 the metabolic model is described, in chapters 3 to 6 the model is tested and in chapters 7 and 8 the model is put into practice. Cha

  17. Theoretical and practical aspects of modelling activated sludge processes

    NARCIS (Netherlands)

    Meijer, S.C.F.

    2004-01-01

    This thesis describes the full-scale validation and calibration of a integrated metabolic activated sludge model for biological phosphorus removal. In chapters 1 and 2 the metabolic model is described, in chapters 3 to 6 the model is tested and in chapters 7 and 8 the model is put into practice. Cha

  18. Theoretical Modeling of Molecular and Electron Kinetic Processes. Volume I. Theoretical Formulation of Analysis and Description of Computer Program.

    Science.gov (United States)

    1979-01-01

    to motivate the form of the results for inelastic binary collisions characterized by an isotropic scattering cross section. For an inelastic...which are excited or ionized by the e -beam . Strictly speaking , the reverse process for reaction (101. 1) should also be included, although its...ETC F/S 20/5 THEORETICAL MODELING OF MOLECULAR AND ELECTRON KINETIC PROCESS~— efl ~ (rj)JAN 79 W B LACINA NO OO i~—78—C—Ofl9UNCLASSIFIED NRTC—79—7R

  19. Mathematical modelling methodologies in predictive food microbiology: a SWOT analysis.

    Science.gov (United States)

    Ferrer, Jordi; Prats, Clara; López, Daniel; Vives-Rego, Josep

    2009-08-31

    Predictive microbiology is the area of food microbiology that attempts to forecast the quantitative evolution of microbial populations over time. This is achieved to a great extent through models that include the mechanisms governing population dynamics. Traditionally, the models used in predictive microbiology are whole-system continuous models that describe population dynamics by means of equations applied to extensive or averaged variables of the whole system. Many existing models can be classified by specific criteria. We can distinguish between survival and growth models by seeing whether they tackle mortality or cell duplication. We can distinguish between empirical (phenomenological) models, which mathematically describe specific behaviour, and theoretical (mechanistic) models with a biological basis, which search for the underlying mechanisms driving already observed phenomena. We can also distinguish between primary, secondary and tertiary models, by examining their treatment of the effects of external factors and constraints on the microbial community. Recently, the use of spatially explicit Individual-based Models (IbMs) has spread through predictive microbiology, due to the current technological capacity of performing measurements on single individual cells and thanks to the consolidation of computational modelling. Spatially explicit IbMs are bottom-up approaches to microbial communities that build bridges between the description of micro-organisms at the cell level and macroscopic observations at the population level. They provide greater insight into the mesoscale phenomena that link unicellular and population levels. Every model is built in response to a particular question and with different aims. Even so, in this research we conducted a SWOT (Strength, Weaknesses, Opportunities and Threats) analysis of the different approaches (population continuous modelling and Individual-based Modelling), which we hope will be helpful for current and future

  20. Theoretical Explanation and Improvement to the Flare Model of Lithography Based on the Kirk Test

    Institute of Scientific and Technical Information of China (English)

    CHEN De-Liang; CAO Yi-Ping; HUANG Zhen-Fen

    2011-01-01

    @@ The Kirk test has good precision for measuring stray light in optical lithography and is the usual method of measuring stray light.However, Kirk did not provide a theoretical explanation to his simulation model.We attempt to give Kirk's model a kind of theoretical explanation and a little improvement based on the model of point spread function of scattering and the theory of statistical optics.It is indicated by simulation that the improved model fits Kirk's measurement data better.

  1. Predictors of Career Commitment: A Test of Three Theoretical Models.

    Science.gov (United States)

    Arnold, John

    1990-01-01

    Three theories of commitment were tested by surveying 92 nursing students 3 times during their first year. The social exchange approach and unmet expectations about nursing careers influenced commitment during the latter eight months. The circumstances surrounding the decision to enter nurse training (behavioral approach) predicted commitment only…

  2. Predictive model for segmented poly(urea

    Directory of Open Access Journals (Sweden)

    Frankl P.

    2012-08-01

    Full Text Available Segmented poly(urea has been shown to be of significant benefit in protecting vehicles from blast and impact and there have been several experimental studies to determine the mechanisms by which this protective function might occur. One suggested route is by mechanical activation of the glass transition. In order to enable design of protective structures using this material a constitutive model and equation of state are needed for numerical simulation hydrocodes. Determination of such a predictive model may also help elucidate the beneficial mechanisms that occur in polyurea during high rate loading. The tool deployed to do this has been Group Interaction Modelling (GIM – a mean field technique that has been shown to predict the mechanical and physical properties of polymers from their structure alone. The structure of polyurea has been used to characterise the parameters in the GIM scheme without recourse to experimental data and the equation of state and constitutive model predicts response over a wide range of temperatures and strain rates. The shock Hugoniot has been predicted and validated against existing data. Mechanical response in tensile tests has also been predicted and validated.

  3. Building a Theoretical Model of Metacognitive Processes in Complex Modeling Activities: A Window into the Development of Students' Metacognitive Abilities

    Science.gov (United States)

    Kim, Young Rae

    2013-01-01

    A theoretical model of metacognition in complex modeling activities has been developed based on existing frameworks, by synthesizing the re-conceptualization of metacognition at multiple levels by looking at the three sources that trigger metacognition. Using the theoretical model as a framework, this study was designed to explore how students'…

  4. Distraction sneakers decrease the expected level of aggression within groups: a game-theoretic model.

    Science.gov (United States)

    Dubois, Frédérique; Giraldeau, Luc-Alain; Hamilton, Ian M; Grant, James W A; Lefebvre, Louis

    2004-08-01

    Hawk-dove games have been extensively used to predict the conditions under which group-living animals should defend their resources against potential usurpers. Typically, game-theoretic models on aggression consider that resource defense may entail energetic and injury costs. However, intruders may also take advantage of owners who are busy fighting to sneak access to unguarded resources, imposing thereby an additional cost on the use of the escalated hawk strategy. In this article we modify the two-strategy hawk-dove game into a three-strategy hawk-dove-sneaker game that incorporates a distraction-sneaking tactic, allowing us to explore its consequences on the expected level of aggression within groups. Our model predicts a lower proportion of hawks and hence lower frequencies of aggressive interactions within groups than do previous two-strategy hawk-dove games. The extent to which distraction sneakers decrease the frequency of aggression within groups, however, depends on whether they search only for opportunities to join resources uncovered by other group members or for both unchallenged resources and opportunities to usurp.

  5. PREDICTIVE CAPACITY OF ARCH FAMILY MODELS

    Directory of Open Access Journals (Sweden)

    Raphael Silveira Amaro

    2016-03-01

    Full Text Available In the last decades, a remarkable number of models, variants from the Autoregressive Conditional Heteroscedastic family, have been developed and empirically tested, making extremely complex the process of choosing a particular model. This research aim to compare the predictive capacity, using the Model Confidence Set procedure, than five conditional heteroskedasticity models, considering eight different statistical probability distributions. The financial series which were used refers to the log-return series of the Bovespa index and the Dow Jones Industrial Index in the period between 27 October 2008 and 30 December 2014. The empirical evidences showed that, in general, competing models have a great homogeneity to make predictions, either for a stock market of a developed country or for a stock market of a developing country. An equivalent result can be inferred for the statistical probability distributions that were used.

  6. Predictive QSAR modeling of phosphodiesterase 4 inhibitors.

    Science.gov (United States)

    Kovalishyn, Vasyl; Tanchuk, Vsevolod; Charochkina, Larisa; Semenuta, Ivan; Prokopenko, Volodymyr

    2012-02-01

    A series of diverse organic compounds, phosphodiesterase type 4 (PDE-4) inhibitors, have been modeled using a QSAR-based approach. 48 QSAR models were compared by following the same procedure with different combinations of descriptors and machine learning methods. QSAR methodologies used random forests and associative neural networks. The predictive ability of the models was tested through leave-one-out cross-validation, giving a Q² = 0.66-0.78 for regression models and total accuracies Ac=0.85-0.91 for classification models. Predictions for the external evaluation sets obtained accuracies in the range of 0.82-0.88 (for active/inactive classifications) and Q² = 0.62-0.76 for regressions. The method showed itself to be a potential tool for estimation of IC₅₀ of new drug-like candidates at early stages of drug development. Copyright © 2011 Elsevier Inc. All rights reserved.

  7. Deferred Action: Theoretical model of process architecture design for emergent business processes

    Directory of Open Access Journals (Sweden)

    Patel, N.V.

    2007-01-01

    Full Text Available E-Business modelling and ebusiness systems development assumes fixed company resources, structures, and business processes. Empirical and theoretical evidence suggests that company resources and structures are emergent rather than fixed. Planning business activity in emergent contexts requires flexible ebusiness models based on better management theories and models . This paper builds and proposes a theoretical model of ebusiness systems capable of catering for emergent factors that affect business processes. Drawing on development of theories of the ‘action and design’class the Theory of Deferred Action is invoked as the base theory for the theoretical model. A theoretical model of flexible process architecture is presented by identifying its core components and their relationships, and then illustrated with exemplar flexible process architectures capable of responding to emergent factors. Managerial implications of the model are considered and the model’s generic applicability is discussed.

  8. The common fate model for dyadic data: variations of a theoretically important but underutilized model.

    Science.gov (United States)

    Ledermann, Thomas; Kenny, David A

    2012-02-01

    Studying dyads, very often there is a theoretical construct that has an effect on both members, such as relationship harmony or shared environment. To model such influences, the common fate model (CFM) is often the most appropriate approach. In this article, we address conceptual and statistical issues in the use of the standard CFM and present a series of variations, all of which are estimated by structural equation modeling (SEM). For indistinguishable dyad members (e.g., gay couples), we describe the use of a multilevel SEM method. Throughout the paper, we draw connections to the actor-partner interdependence model (APIM). We also discuss the analysis of hybrid models that combines both the CFM and the APIM. The models are illustrated using data from heterosexual couples.

  9. A comparison between numerical predictions and theoretical and experimental results for laminar core-annular flow

    NARCIS (Netherlands)

    Beerens, J.C.; Ooms, G.; Pourquie, M.J.B.M.; Westerweel, J.

    2014-01-01

    high-viscosity liquid core surrounded by a laminar low-viscosity liquid annular layer through a vertical pipe. The numerical results are compared with theoretical results from linear stability calculations and with experimental data. The comparison is good and the general conclusion of our study is

  10. Testing Social Cognitive Theory as a Theoretical Framework to Predict Smoking Relapse among Daily Smoking Adolescents

    NARCIS (Netherlands)

    Zundert, R.M.P. van; Nijhof, L.M.; Engels, R.C.M.E.

    2009-01-01

    Predictors of adolescent smoking relapse are largely unknown, since studies either focus on relapse among adults, or address (long-term) smoking cessation but not relapse. In the present study, Social Cognitive Theory (SCT) was used as a theoretical framework to examine the first and second lapses,

  11. M$^2$I Communication: From Theoretical Modeling to Practical Design

    CERN Document Server

    Guo, Hongzhi

    2015-01-01

    Wireless communications in complex environments are constrained by lossy media and complicated structures. Magnetic Induction (MI) has been proved to be an efficient solution to extend the communication range. Due to the small coil antenna's physical limitation, however, MI's communication range is still very limited. To this end, Metamaterial-enhanced Magnetic Induction (M$^2$I) communication has been proposed and the theoretical results suggest that it can significantly increase the communication performance, namely, data rate and communication range. Nevertheless, currently, the real implementation of M$^2$I is still a challenge and there is no guideline on design and fabrication of spherical metamaterial. In this paper, we propose a practical design by using a spherical coil array to realize M$^2$I and we prove that it can achieve negative permeability and there exists a resonance condition where the radiated magnetic field can be significantly amplified. The radiation and communication performance are ev...

  12. Theoretical models for NO decomposition in Cu-exchanged zeolites

    CERN Document Server

    Tsekov, R

    2015-01-01

    A unified description of the catalytic effect of Cu-exchanged zeolites is proposed for the decomposition of NO. A general expression for the rate constant of NO decomposition is obtained by assuming that the rate-determining step consists of the transferring of a single atom associated with breaking of the N-O bond. The analysis is performed on the base of the generalized Langevin equation and takes into account both the potential interactions in the system and the memory effects due to the zeolite vibrations. Two different mechanisms corresponding to monomolecular and bimolecular NO decomposition are discussed. The catalytic effect in the monomolecular mechanism is related to both the Cu+ ions and zeolite O-vacancies, while in the case of the bimolecular mechanism the zeolite contributes through dissipation only. The comparison of the theoretically calculated rate constants with experimental results reveals additional information about the geometric and energetic characteristics of the active centers and con...

  13. A graph theoretical perspective of a drug abuse epidemic model

    Science.gov (United States)

    Nyabadza, F.; Mukwembi, S.; Rodrigues, B. G.

    2011-05-01

    A drug use epidemic can be represented by a finite number of states and transition rules that govern the dynamics of drug use in each discrete time step. This paper investigates the spread of drug use in a community where some users are in treatment and others are not in treatment, citing South Africa as an example. In our analysis, we consider the neighbourhood prevalence of each individual, i.e., the proportion of the individual’s drug user contacts who are not in treatment amongst all of his or her contacts. We introduce parameters α∗, β∗ and γ∗, depending on the neighbourhood prevalence, which govern the spread of drug use. We examine how changes in α∗, β∗ and γ∗ affect the system dynamics. Simulations presented support the theoretical results.

  14. Theoretical investigation on the magnetic and electric properties in TbSb compound through an anisotropic microscopic model

    Energy Technology Data Exchange (ETDEWEB)

    Ranke, P. J. von, E-mail: von.ranke@uol.com.br; Ribeiro, P. O.; Alho, B. P.; Alvarenga, T. S. T.; Nobrega, E. P.; Caldas, A.; Sousa, V. S. R.; Lopes, P. H. O.; Oliveira, N. A. de [Instituto de Física, Universidade do Estado do Rio de Janeiro–UERJ, Rua São Francisco Xavier, 524, 20550-013 Rio de Janeiro (RJ) (Brazil); Carvalho, A. Magnus G. [Laboratório Nacional de Luz Síncrotron, CNPEM, 13083-970 Campinas, São Paulo (Brazil)

    2016-05-14

    We report the strong correlations between the magnetoresistivity and the magnetic entropy change in the cubic antiferromagnetic TbSb compound. The theoretical investigation was performed through a microscopic model which takes into account the crystalline electrical field anisotropy, exchange coupling interactions between the up and down magnetic sublattices, and the Zeeman interaction. The easy magnetization directions changes from 〈001〉 to 〈110〉 and then to 〈111〉 observed experimentally was successfully theoretically described. Also, the calculation of the temperature dependence of electric resistivity showed good agreement with the experimental data. Theoretical predictions were calculated for the temperature dependence of the magnetic entropy and resistivity changes upon magnetic field variation. Besides, the difference in the spin up and down sublattices resistivity was investigated.

  15. The theoretical foundations for size spectrum models of fish communities

    DEFF Research Database (Denmark)

    Andersen, Ken Haste; Jacobsen, Nis Sand; Farnsworth, K.D.

    2016-01-01

    assessment of fisheries. We describe the fundamental concepts in size-based models about food encounter and the bioenergetics budget of individuals. Within the general framework three model types have emerged that differs in their degree of complexity: the food-web, the trait-based and the community model....... We demonstrate the differences between the models through examples of their response to fishing and their dynamic behavior. We review implementations of size spectrum models and describe important variations concerning the functional response, whether growth is food-dependent or fixed...

  16. Theoretical and experimental modeling of a rail gun accelerator

    Science.gov (United States)

    Zheleznyj, V. B.; Zagorskij, A. V.; Katsnel'Son, S. S.; Kudryavtsev, A. V.; Plekhanov, A. V.

    1993-04-01

    Results of a series of experiments in the acceleration of macrobodies are analyzed using an integral model of a current arc and a quasi-1D magnetic gasdynamic model. The integral model uses gasdynamic equations averaged by the size of a plasma pump and equations based on the second Kirchhoff's law for electrical current. The quasi-1D model is based on 1D magnetic gasdynamic equations for mean values of density, pressure, velocity, and internal power. Electromagnetic parameters are determined from Maxwell integral equations. It is concluded that the proposed models take into account the major mechanisms of momentum loss and are capable of adequately describing electromagnetic rail accelerators.

  17. Using Graph and Vertex Entropy to Compare Empirical Graphs with Theoretical Graph Models

    Directory of Open Access Journals (Sweden)

    Tomasz Kajdanowicz

    2016-09-01

    Full Text Available Over the years, several theoretical graph generation models have been proposed. Among the most prominent are: the Erdős–Renyi random graph model, Watts–Strogatz small world model, Albert–Barabási preferential attachment model, Price citation model, and many more. Often, researchers working with real-world data are interested in understanding the generative phenomena underlying their empirical graphs. They want to know which of the theoretical graph generation models would most probably generate a particular empirical graph. In other words, they expect some similarity assessment between the empirical graph and graphs artificially created from theoretical graph generation models. Usually, in order to assess the similarity of two graphs, centrality measure distributions are compared. For a theoretical graph model this means comparing the empirical graph to a single realization of a theoretical graph model, where the realization is generated from the given model using an arbitrary set of parameters. The similarity between centrality measure distributions can be measured using standard statistical tests, e.g., the Kolmogorov–Smirnov test of distances between cumulative distributions. However, this approach is both error-prone and leads to incorrect conclusions, as we show in our experiments. Therefore, we propose a new method for graph comparison and type classification by comparing the entropies of centrality measure distributions (degree centrality, betweenness centrality, closeness centrality. We demonstrate that our approach can help assign the empirical graph to the most similar theoretical model using a simple unsupervised learning method.

  18. Theoretical prediction of interference loading on aircraft stores: Part II - Supersonic speeds

    Science.gov (United States)

    Fox, C. H., Jr.; Fernandes, F.

    1973-01-01

    Linear theory is used, without two dimensional or slender body assumptions, to predict flow field produced by aircraft wing, nose, inlet, and pylons. Aircraft shock wave locations are predicted, and their effect on flow field is included through transformation of aircraft geometry. Program was written in FORTRAN IV for CDC 6400 computer.

  19. Formalization of the model of the enterprise insolvency risk prediction

    Directory of Open Access Journals (Sweden)

    Elena V. Shirinkina

    2015-12-01

    Full Text Available Objective to improve the conceptual apparatus and analytical procedures of insolvency risk identification. Methods general scientific methods of systemic and comparative analysis economicstatistical and dynamic analysis of economic processes and phenomena. Results nowadays managing the insolvency risk is relevant for any company regardless of the economy sector. Instability manifests itself through the uncertainty of the directions of the external environment changes and their high frequency. Analysis of the economic literature showed that currently there is no single approach to systematization of methods for insolvency risk prediction which means that there is no objective view on tools that can be used to monitor the insolvency risk. In this respect scientific and practical search of representative indicators for the formalization of the models predicting the insolvency is very important. Therefore the study has solved the following tasks defined the nature of the insolvency risk and its identification in the process of financial relations in management system proved the representativeness of the indicators in the insolvency risk prediction and formed the model of the risk insolvency prediction. Scientific novelty grounding the model of risk insolvency prediction. Practical significance development of a theoretical framework to address issues arising in the diagnosis of insolvent enterprises and application of the results obtained in the practice of the bankruptcy institution bodies. The presented model allows to predict the insolvency risk of the enterprise through the general development trend and the fluctuation boundaries of bankruptcy risk to determine the significance of each indicatorfactor its quantitative impact and therefore to avoid the risk of the enterprise insolvency. nbsp

  20. Large eddy simulation subgrid model for soot prediction

    Science.gov (United States)

    El-Asrag, Hossam Abd El-Raouf Mostafa

    Soot prediction in realistic systems is one of the most challenging problems in theoretical and applied combustion. Soot formation as a chemical process is very complicated and not fully understood. The major difficulty stems from the chemical complexity of the soot formation process as well as its strong coupling with the other thermochemical and fluid processes that occur simultaneously. Soot is a major byproduct of incomplete combustion, having a strong impact on the environment as well as the combustion efficiency. Therefore, innovative methods is needed to predict soot in realistic configurations in an accurate and yet computationally efficient way. In the current study, a new soot formation subgrid model is developed and reported here. The new model is designed to be used within the context of the Large Eddy Simulation (LES) framework, combined with Linear Eddy Mixing (LEM) as a subgrid combustion model. The final model can be applied equally to premixed and non-premixed flames over any required geometry and flow conditions in the free, the transition, and the continuum regimes. The soot dynamics is predicted using a Method of Moments approach with Lagrangian Interpolative Closure (MOMIC) for the fractional moments. Since no prior knowledge of the particles distribution is required, the model is generally applicable. The current model accounts for the basic soot transport phenomena as transport by molecular diffusion and Thermophoretic forces. The model is first validated against experimental results for non-sooting swirling non-premixed and partially premixed flames. Next, a set of canonical premixed sooting flames are simulated, where the effect of turbulence, binary diffusivity and C/O ratio on soot formation are studied. Finally, the model is validated against a non-premixed jet sooting flame. The effect of the flame structure on the different soot formation stages as well as the particle size distribution is described. Good results are predicted with

  1. Modelling the predictive performance of credit scoring

    Directory of Open Access Journals (Sweden)

    Shi-Wei Shen

    2013-02-01

    Full Text Available Orientation: The article discussed the importance of rigour in credit risk assessment.Research purpose: The purpose of this empirical paper was to examine the predictive performance of credit scoring systems in Taiwan.Motivation for the study: Corporate lending remains a major business line for financial institutions. However, in light of the recent global financial crises, it has become extremely important for financial institutions to implement rigorous means of assessing clients seeking access to credit facilities.Research design, approach and method: Using a data sample of 10 349 observations drawn between 1992 and 2010, logistic regression models were utilised to examine the predictive performance of credit scoring systems.Main findings: A test of Goodness of fit demonstrated that credit scoring models that incorporated the Taiwan Corporate Credit Risk Index (TCRI, micro- and also macroeconomic variables possessed greater predictive power. This suggests that macroeconomic variables do have explanatory power for default credit risk.Practical/managerial implications: The originality in the study was that three models were developed to predict corporate firms’ defaults based on different microeconomic and macroeconomic factors such as the TCRI, asset growth rates, stock index and gross domestic product.Contribution/value-add: The study utilises different goodness of fits and receiver operator characteristics during the examination of the robustness of the predictive power of these factors.

  2. Calibrated predictions for multivariate competing risks models.

    Science.gov (United States)

    Gorfine, Malka; Hsu, Li; Zucker, David M; Parmigiani, Giovanni

    2014-04-01

    Prediction models for time-to-event data play a prominent role in assessing the individual risk of a disease, such as cancer. Accurate disease prediction models provide an efficient tool for identifying individuals at high risk, and provide the groundwork for estimating the population burden and cost of disease and for developing patient care guidelines. We focus on risk prediction of a disease in which family history is an important risk factor that reflects inherited genetic susceptibility, shared environment, and common behavior patterns. In this work family history is accommodated using frailty models, with the main novel feature being allowing for competing risks, such as other diseases or mortality. We show through a simulation study that naively treating competing risks as independent right censoring events results in non-calibrated predictions, with the expected number of events overestimated. Discrimination performance is not affected by ignoring competing risks. Our proposed prediction methodologies correctly account for competing events, are very well calibrated, and easy to implement.

  3. Modelling language evolution: Examples and predictions.

    Science.gov (United States)

    Gong, Tao; Shuai, Lan; Zhang, Menghan

    2014-06-01

    We survey recent computer modelling research of language evolution, focusing on a rule-based model simulating the lexicon-syntax coevolution and an equation-based model quantifying the language competition dynamics. We discuss four predictions of these models: (a) correlation between domain-general abilities (e.g. sequential learning) and language-specific mechanisms (e.g. word order processing); (b) coevolution of language and relevant competences (e.g. joint attention); (c) effects of cultural transmission and social structure on linguistic understandability; and (d) commonalities between linguistic, biological, and physical phenomena. All these contribute significantly to our understanding of the evolutions of language structures, individual learning mechanisms, and relevant biological and socio-cultural factors. We conclude the survey by highlighting three future directions of modelling studies of language evolution: (a) adopting experimental approaches for model evaluation; (b) consolidating empirical foundations of models; and (c) multi-disciplinary collaboration among modelling, linguistics, and other relevant disciplines.

  4. Modelling language evolution: Examples and predictions

    Science.gov (United States)

    Gong, Tao; Shuai, Lan; Zhang, Menghan

    2014-06-01

    We survey recent computer modelling research of language evolution, focusing on a rule-based model simulating the lexicon-syntax coevolution and an equation-based model quantifying the language competition dynamics. We discuss four predictions of these models: (a) correlation between domain-general abilities (e.g. sequential learning) and language-specific mechanisms (e.g. word order processing); (b) coevolution of language and relevant competences (e.g. joint attention); (c) effects of cultural transmission and social structure on linguistic understandability; and (d) commonalities between linguistic, biological, and physical phenomena. All these contribute significantly to our understanding of the evolutions of language structures, individual learning mechanisms, and relevant biological and socio-cultural factors. We conclude the survey by highlighting three future directions of modelling studies of language evolution: (a) adopting experimental approaches for model evaluation; (b) consolidating empirical foundations of models; and (c) multi-disciplinary collaboration among modelling, linguistics, and other relevant disciplines.

  5. The transtheoretical model and substance dependence: theoretical and practical aspects

    OpenAIRE

    2009-01-01

    OBJECTIVE: This paper aims to present and discuss the Transtheoretical Model and its importance for the treatment of substance abuse disorders. METHOD: A literature review was made based on articles from the last 10 years in substance use with human subjects found in PubMed (Medline) and the Scientific Electronic Library Online, as well as on the main books written by the creators of the model. From the initial collection of articles related to the Transtheoretical Model, the University of Rh...

  6. Modeling the depuration rates of polychlorinated biphenyls in two mussel species with theoretical molecular descriptors

    Institute of Scientific and Technical Information of China (English)

    XU MingZhu; LIU XinHui; WANG Liang; WU Dan; SUN Tao; YANG ZhiFeng; CUI BaoShan

    2009-01-01

    Using theoretical molecular descriptors as well as partial least squares (PLS) regression,two quantitative structure-activity relationship (QSAR) models were developed for depuration rate constants (kd) of polychlorinated biphenyls (PCBs) in two species of mussels,Perna viridis and Dreissena polymorpha.Thecross-validated Q2cum (an indicator of fitting of goodness) values for the two models are 0.501 and 0.756,and the standard deviation (SO) is 0.084 and 0.076,respectively.The achievement of satisfactory Q2cumand low SD values indicates good predictive ability and precision of the two models.The significant descriptors governing Igkd include polarizability (a),molecular volume (/Mv),molecular weight (Mw),molecular surface area (S),and total energy (TE).The key descriptors in the models reflect that van der Waals interactions play a dominant role in the depuration of PCBs.The depuration of PCBs in the two mussel species may be mainly attributed to the biota-water phase partitioning processes.

  7. A novel theoretical model for the temperature dependence of band gap energy in semiconductors

    Science.gov (United States)

    Geng, Peiji; Li, Weiguo; Zhang, Xianhe; Zhang, Xuyao; Deng, Yong; Kou, Haibo

    2017-10-01

    We report a novel theoretical model without any fitting parameters for the temperature dependence of band gap energy in semiconductors. This model relates the band gap energy at the elevated temperature to that at the arbitrary reference temperature. As examples, the band gap energies of Si, Ge, AlN, GaN, InP, InAs, ZnO, ZnS, ZnSe and GaAs at temperatures below 400 K are calculated and are in good agreement with the experimental results. Meanwhile, the band gap energies at high temperatures (T  >  400 K) are predicted, which are greater than the experimental results, and the reasonable analysis is carried out as well. Under low temperatures, the effect of lattice expansion on the band gap energy is very small, but it has much influence on the band gap energy at high temperatures. Therefore, it is necessary to consider the effect of lattice expansion at high temperatures, and the method considering the effect of lattice expansion has also been given. The model has distinct advantages compared with the widely quoted Varshni’s semi-empirical equation from the aspect of modeling, physical meaning and application. The study provides a convenient method to determine the band gap energy under different temperatures.

  8. Modeling the depuration rates of polychlorinated biphenyls in two mussel species with theoretical molecular descriptors

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Using theoretical molecular descriptors as well as partial least squares(PLS) regression,two quantitative structure-activity relationship(QSAR) models were developed for depuration rate constants(kd) of polychlorinated biphenyls(PCBs) in two species of mussels,Perna viridis and Dreissena polymorpha.The cross-validated Q2cum(an indicator of fitting of goodness) values for the two models are 0.501 and 0.756,and the standard deviation(SD) is 0.084 and 0.076,respectively.The achievement of satisfactory Q2cum and low SD values indicates good predictive ability and precision of the two models.The significant descriptors governing lgkd include polarizability(α),molecular volume(MV),molecular weight(Mw),molecular surface area(S),and total energy(TE).The key descriptors in the models reflect that van der Waals interactions play a dominant role in the depuration of PCBs.The depuration of PCBs in the two mussel species may be mainly attributed to the biota-water phase partitioning processes.

  9. Interstellar dust modelling: Interfacing laboratory, theoretical and observational studies (The THEMIS model)

    CERN Document Server

    Jones, Ant

    2015-01-01

    The construction of viable and physically-realistic interstellar dust models is only possible if the constraints imposed by laboratory data on interstellar dust analogue materials are respected and used within a meaningful theoretical framework. These physical dust models can then be directly compared to observations without the need for any tuning to fit the observations. Such models will generally fail to achieve the excellent fits to observations that empirical models are able to achieve. However, the physically-realistic approach will necessarily lead to a deeper insight and a fuller understanding of the nature and evolution of interstellar dust. The THEMIS modelling approach, based on (hydrogenated) amorphous carbons and amorphous silicates with metallic Fe and/or FeS nano-inclusions appears to be a promising move in this direction.

  10. Global Solar Dynamo Models: Simulations and Predictions

    Indian Academy of Sciences (India)

    Mausumi Dikpati; Peter A. Gilman

    2008-03-01

    Flux-transport type solar dynamos have achieved considerable success in correctly simulating many solar cycle features, and are now being used for prediction of solar cycle timing and amplitude.We first define flux-transport dynamos and demonstrate how they work. The essential added ingredient in this class of models is meridional circulation, which governs the dynamo period and also plays a crucial role in determining the Sun’s memory about its past magnetic fields.We show that flux-transport dynamo models can explain many key features of solar cycles. Then we show that a predictive tool can be built from this class of dynamo that can be used to predict mean solar cycle features by assimilating magnetic field data from previous cycles.

  11. Model Predictive Control of Sewer Networks

    Science.gov (United States)

    Pedersen, Einar B.; Herbertsson, Hannes R.; Niemann, Henrik; Poulsen, Niels K.; Falk, Anne K. V.

    2017-01-01

    The developments in solutions for management of urban drainage are of vital importance, as the amount of sewer water from urban areas continues to increase due to the increase of the world’s population and the change in the climate conditions. How a sewer network is structured, monitored and controlled have thus become essential factors for effcient performance of waste water treatment plants. This paper examines methods for simplified modelling and controlling a sewer network. A practical approach to the problem is used by analysing simplified design model, which is based on the Barcelona benchmark model. Due to the inherent constraints the applied approach is based on Model Predictive Control.

  12. DKIST Polarization Modeling and Performance Predictions

    Science.gov (United States)

    Harrington, David

    2016-05-01

    Calibrating the Mueller matrices of large aperture telescopes and associated coude instrumentation requires astronomical sources and several modeling assumptions to predict the behavior of the system polarization with field of view, altitude, azimuth and wavelength. The Daniel K Inouye Solar Telescope (DKIST) polarimetric instrumentation requires very high accuracy calibration of a complex coude path with an off-axis f/2 primary mirror, time dependent optical configurations and substantial field of view. Polarization predictions across a diversity of optical configurations, tracking scenarios, slit geometries and vendor coating formulations are critical to both construction and contined operations efforts. Recent daytime sky based polarization calibrations of the 4m AEOS telescope and HiVIS spectropolarimeter on Haleakala have provided system Mueller matrices over full telescope articulation for a 15-reflection coude system. AEOS and HiVIS are a DKIST analog with a many-fold coude optical feed and similar mirror coatings creating 100% polarization cross-talk with altitude, azimuth and wavelength. Polarization modeling predictions using Zemax have successfully matched the altitude-azimuth-wavelength dependence on HiVIS with the few percent amplitude limitations of several instrument artifacts. Polarization predictions for coude beam paths depend greatly on modeling the angle-of-incidence dependences in powered optics and the mirror coating formulations. A 6 month HiVIS daytime sky calibration plan has been analyzed for accuracy under a wide range of sky conditions and data analysis algorithms. Predictions of polarimetric performance for the DKIST first-light instrumentation suite have been created under a range of configurations. These new modeling tools and polarization predictions have substantial impact for the design, fabrication and calibration process in the presence of manufacturing issues, science use-case requirements and ultimate system calibration

  13. Modelling Chemical Reasoning to Predict Reactions

    OpenAIRE

    Segler, Marwin H. S.; Waller, Mark P.

    2016-01-01

    The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and 8.2 million binary reactions, which represents the bulk of all chemical reactions ever published in the scientific literature. Our model outpe...

  14. Predictive Modeling of the CDRA 4BMS

    Science.gov (United States)

    Coker, Robert; Knox, James

    2016-01-01

    Fully predictive models of the Four Bed Molecular Sieve of the Carbon Dioxide Removal Assembly on the International Space Station are being developed. This virtual laboratory will be used to help reduce mass, power, and volume requirements for future missions. In this paper we describe current and planned modeling developments in the area of carbon dioxide removal to support future crewed Mars missions as well as the resolution of anomalies observed in the ISS CDRA.

  15. Pathways in coal thermolysis: a theoretical and experimental study with model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ekpenyong, I.A.; Virk, P.S.

    1982-01-01

    Fundamental aspects of coal thermolysis were investigated, including how the chemical structures of aromatics, hydroaromatics, and alcohols affect their reactivities as hydrogen donors and acceptors in coal processing. The susceptibilities of substructural entities in coals to fragmentation via a number of thermal pericyclic and free radical mechanisms were probed, as were the factors governing relative reactivities within series of such coal model compounds. The theoretical part of the work applied perturbation molecular orbital (PMO) and frontier orbital theories, in conjunction with ..pi..- and pseudo-..pi.. MO's, to the study of model compound reactivity. This enabled prediction of reactivity patterns of H-donors, H-acceptors and coal-like structures as functions of their ..pi..- and sigma-bond configurations, including heteroatomic effects. Experimentally, the liquid phase reactions of the coal model compound PhOCH/sub 2/Ph (Benzyl phenyl ether, BPE) were detailed for the first time in each of four hydronaphthalene H-donor solvents in the temperature range 220/sup 0/ to 300/sup 0/C. The thermolysis of BPE exhibited a pronounced dependence on solvent structure, both with respect to product selectivities and reaction kinetics. BPE thermolysis pathways were delineated as involving (a) rearrangement, leading to isomerization, (b) hydrogenations, leading ultimately to PhOH and PhCH/sub 3/ products, and (c) addition reactions, engendering heavy products. Pathways (b) and (c) are competitive and, in each, self-reactions of BPE-derivatives vie against reactions between these and the donor solvent. Of the detailed free radical and pericyclic reaction mechanisms postulated, the latter rationalized many more facets of the BPE results than the former. The theoretical and experimental results were appraised against previous coal thermolysis literature.

  16. Predictive Modelling of Mycotoxins in Cereals

    NARCIS (Netherlands)

    Fels, van der H.J.; Liu, C.

    2015-01-01

    In dit artikel worden de samenvattingen van de presentaties tijdens de 30e bijeenkomst van de Werkgroep Fusarium weergegeven. De onderwerpen zijn: Predictive Modelling of Mycotoxins in Cereals.; Microbial degradation of DON.; Exposure to green leaf volatiles primes wheat against FHB but boosts

  17. Unreachable Setpoints in Model Predictive Control

    DEFF Research Database (Denmark)

    Rawlings, James B.; Bonné, Dennis; Jørgensen, John Bagterp

    2008-01-01

    steady state is established for terminal constraint model predictive control (MPC). The region of attraction is the steerable set. Existing analysis methods for closed-loop properties of MPC are not applicable to this new formulation, and a new analysis method is developed. It is shown how to extend...

  18. Predictive Modelling of Mycotoxins in Cereals

    NARCIS (Netherlands)

    Fels, van der H.J.; Liu, C.

    2015-01-01

    In dit artikel worden de samenvattingen van de presentaties tijdens de 30e bijeenkomst van de Werkgroep Fusarium weergegeven. De onderwerpen zijn: Predictive Modelling of Mycotoxins in Cereals.; Microbial degradation of DON.; Exposure to green leaf volatiles primes wheat against FHB but boosts produ

  19. Prediction modelling for population conviction data

    NARCIS (Netherlands)

    Tollenaar, N.

    2017-01-01

    In this thesis, the possibilities of using prediction models for judicial penal case data are investigated. The development and refinement of a risk taxation scale based on these data is discussed. When false positives are weighted equally severe as false negatives, 70% can be classified correctly.

  20. A Predictive Model for MSSW Student Success

    Science.gov (United States)

    Napier, Angela Michele

    2011-01-01

    This study tested a hypothetical model for predicting both graduate GPA and graduation of University of Louisville Kent School of Social Work Master of Science in Social Work (MSSW) students entering the program during the 2001-2005 school years. The preexisting characteristics of demographics, academic preparedness and culture shock along with…

  1. Predictability of extreme values in geophysical models

    NARCIS (Netherlands)

    Sterk, A.E.; Holland, M.P.; Rabassa, P.; Broer, H.W.; Vitolo, R.

    2012-01-01

    Extreme value theory in deterministic systems is concerned with unlikely large (or small) values of an observable evaluated along evolutions of the system. In this paper we study the finite-time predictability of extreme values, such as convection, energy, and wind speeds, in three geophysical model

  2. A revised prediction model for natural conception

    NARCIS (Netherlands)

    Bensdorp, A.J.; Steeg, J.W. van der; Steures, P.; Habbema, J.D.; Hompes, P.G.; Bossuyt, P.M.; Veen, F. van der; Mol, B.W.; Eijkemans, M.J.; Kremer, J.A.M.; et al.,

    2017-01-01

    One of the aims in reproductive medicine is to differentiate between couples that have favourable chances of conceiving naturally and those that do not. Since the development of the prediction model of Hunault, characteristics of the subfertile population have changed. The objective of this analysis

  3. Distributed Model Predictive Control via Dual Decomposition

    DEFF Research Database (Denmark)

    Biegel, Benjamin; Stoustrup, Jakob; Andersen, Palle

    2014-01-01

    This chapter presents dual decomposition as a means to coordinate a number of subsystems coupled by state and input constraints. Each subsystem is equipped with a local model predictive controller while a centralized entity manages the subsystems via prices associated with the coupling constraints...

  4. Predictive Modelling of Mycotoxins in Cereals

    NARCIS (Netherlands)

    Fels, van der H.J.; Liu, C.

    2015-01-01

    In dit artikel worden de samenvattingen van de presentaties tijdens de 30e bijeenkomst van de Werkgroep Fusarium weergegeven. De onderwerpen zijn: Predictive Modelling of Mycotoxins in Cereals.; Microbial degradation of DON.; Exposure to green leaf volatiles primes wheat against FHB but boosts produ

  5. Leptogenesis in minimal predictive seesaw models

    CERN Document Server

    Björkeroth, Fredrik; Varzielas, Ivo de Medeiros; King, Stephen F

    2015-01-01

    We estimate the Baryon Asymmetry of the Universe (BAU) arising from leptogenesis within a class of minimal predictive seesaw models involving two right-handed neutrinos and simple Yukawa structures with one texture zero. The two right-handed neutrinos are dominantly responsible for the "atmospheric" and "solar" neutrino masses with Yukawa couplings to $(\

  6. Predicting excitonic gaps of semiconducting single-walled carbon nanotubes from a field theoretic analysis

    Science.gov (United States)

    Konik, Robert M.; Sfeir, Matthew Y.; Misewich, James A.

    2015-02-01

    We demonstrate that a nonperturbative framework for the treatment of the excitations of single-walled carbon nanotubes based upon a field theoretic reduction is able to accurately describe experiment observations of the absolute values of excitonic energies. This theoretical framework yields a simple scaling function from which the excitonic energies can be read off. This scaling function is primarily determined by a single parameter, the charge Luttinger parameter of the tube, which is in turn a function of the tube chirality, dielectric environment, and the tube's dimensions, thus expressing disparate influences on the excitonic energies in a unified fashion. We test this theory explicitly on the data reported by Dukovic et al. [Nano Lett. 5, 2314 (2005), 10.1021/nl0518122] and Sfeir et al. [Phys. Rev. B 82, 195424 (2010), 10.1103/PhysRevB.82.195424] and so demonstrate the method works over a wide range of reported excitonic spectra.

  7. Theoretical modeling of sliding vane compressor with leakage

    Energy Technology Data Exchange (ETDEWEB)

    Al-Hawaj, Osama [Department of Mechanical Engineering, University of Kuwait, P.O. Box 5969, Safat 13060 (Kuwait)

    2009-11-15

    Performance of a sliding vane compressor is significantly influenced by the leakage effect occurring between adjacent cells during the compression phase of the cycle. In this paper, thermodynamic and dynamical mathematical models were formulated for a double action sliding vane compressor including leakage effect modeling. The leakage modeling is incorporated through an analytic pressure model with a single tunable parameter to be adjusted to correspond with specific compressor leakage characteristics. The effect of leakage on the cell pressure, temperature, mass, and work, and total vane torque variations were qualitatively investigated. The study illustrated the significant effect of leakage on power input requirement, discharge pressure and mass delivery, and less significant effect on mechanical efficiency and specific mass delivery. The validity of the simulation results is made by comparing the pressure work calculated from both the thermodynamic and the dynamic models. (author)

  8. 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.

  9. Raindrop size distribution: Fitting performance of common theoretical models

    Science.gov (United States)

    Adirosi, E.; Volpi, E.; Lombardo, F.; Baldini, L.

    2016-10-01

    Modelling raindrop size distribution (DSD) is a fundamental issue to connect remote sensing observations with reliable precipitation products for hydrological applications. To date, various standard probability distributions have been proposed to build DSD models. Relevant questions to ask indeed are how often and how good such models fit empirical data, given that the advances in both data availability and technology used to estimate DSDs have allowed many of the deficiencies of early analyses to be mitigated. Therefore, we present a comprehensive follow-up of a previous study on the comparison of statistical fitting of three common DSD models against 2D-Video Distrometer (2DVD) data, which are unique in that the size of individual drops is determined accurately. By maximum likelihood method, we fit models based on lognormal, gamma and Weibull distributions to more than 42.000 1-minute drop-by-drop data taken from the field campaigns of the NASA Ground Validation program of the Global Precipitation Measurement (GPM) mission. In order to check the adequacy between the models and the measured data, we investigate the goodness of fit of each distribution using the Kolmogorov-Smirnov test. Then, we apply a specific model selection technique to evaluate the relative quality of each model. Results show that the gamma distribution has the lowest KS rejection rate, while the Weibull distribution is the most frequently rejected. Ranking for each minute the statistical models that pass the KS test, it can be argued that the probability distributions whose tails are exponentially bounded, i.e. light-tailed distributions, seem to be adequate to model the natural variability of DSDs. However, in line with our previous study, we also found that frequency distributions of empirical DSDs could be heavy-tailed in a number of cases, which may result in severe uncertainty in estimating statistical moments and bulk variables.

  10. Experimental observations and theoretical models for beam-beam phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Kheifets, S.

    1981-03-01

    The beam-beam interaction in storage rings exhibits all the characteristics of nonintegrable dynamical systems. Here one finds all kinds of resonances, closed orbits, stable and unstable fixed points, stochastic layers, chaotic behavior, diffusion, etc. The storage ring itself being an expensive device nevertheless while constructed and put into operation presents a good opportunity of experimentally studying the long-time behavior of both conservative (proton machines) and nonconservative (electron machines) dynamical systems - the number of bunch-bunch interactions routinely reaches values of 10/sup 10/-10/sup 11/ and could be increased by decreasing the beam current. At the same time the beam-beam interaction puts practical limits for the yield of the storage ring. This phenomenon not only determines the design value of main storage ring parameters (luminosity, space charge parameters, beam current), but also in fact prevents many of the existing storage rings from achieving design parameters. Hence, the problem has great practical importance along with its enormous theoretical interest. A brief overview of the problem is presented.

  11. Behavioral models as theoretical frames to analyze the business objective

    Directory of Open Access Journals (Sweden)

    Hernán Alonso Bafico

    2015-12-01

    Full Text Available This paper examines Pfeffer’s Models of Behavior and connects each of them with attributes of the definition of the firm’s objective, assumed as the maximization of the sustainable, long term valor of the residual claims.Each of the five models of behavior (rational, social, moral, retrospective and cognitive contributes to the decision making and goal setting processes with its particular and complementary elements. From those assuming complete rationality and frictionless markets, to the models emphasizing the role of ethical positions, and the presence of perceptive and cognitive mechanisms. The analysis highlights the main contributions of critical theories and models of behavior, underlining their focus on non-traditional variables, regarded as critical inputs for goal setting processes and designing alternative executive incentive schemes.  The explicit consideration of those variables does not indicate the need for a new definition of corporate objective. The maximization of the long term value of the shareholders’ claims still defines the relevant objective function of the firm, remaining as the main yardstick of corporate performance.Behavioral models are recognized as important tools to help managers direct their attention to long term strategies. In the last part, we comment on the relationship between the objective function and behavioral models, from the practitioners’ perspective.Key words: Firm Objectives, Behavioral Models, Value Maximization, Stakeholder Theory.

  12. Rigorous theoretical derivation of lumped models to transmission line systems

    Institute of Scientific and Technical Information of China (English)

    Zhao Jixiang

    2012-01-01

    By virtue of the negative electric parameter concept,i.e.negative lumped resistance,inductance,conductance and capacitance (N-RLGC),the lumped equivalent models of transmission line systems,including the circuit model,two-port π-network and T-network,are given.We start from the N-segment-ladder-like equivalent networks composed distributed parameters,and achieve the input impedance in the form of a continued fraction.Utilizing the continued fraction theory,the expressions of input impedance are obtained under three kinds of extreme cases,i.e.the load impedances are equal to zero,infinity and characteristic impedance,respectively.When the number of segment N is limited to infinity,they are transformed to lumped elements.Comparison between the distributed model and lumped model of transmission lines,the expression of tanh yd,which is the key term in the transmission line equations,are obtained by RLGC,furthermore,according to input admittance,admittance matrix and ABCD matrix of transmission lines,the lumped equivalent circuit models,π-networks and T-networks have been given.The models are verified in the frequency and time domain,respectively,showing that the models are accurate and efficient.

  13. Specialized Language Models using Dialogue Predictions

    CERN Document Server

    Popovici, C; Popovici, Cosmin; Baggia, Paolo

    1996-01-01

    This paper analyses language modeling in spoken dialogue systems for accessing a database. The use of several language models obtained by exploiting dialogue predictions gives better results than the use of a single model for the whole dialogue interaction. For this reason several models have been created, each one for a specific system question, such as the request or the confirmation of a parameter. The use of dialogue-dependent language models increases the performance both at the recognition and at the understanding level, especially on answers to system requests. Moreover other methods to increase performance, like automatic clustering of vocabulary words or the use of better acoustic models during recognition, does not affect the improvements given by dialogue-dependent language models. The system used in our experiments is Dialogos, the Italian spoken dialogue system used for accessing railway timetable information over the telephone. The experiments were carried out on a large corpus of dialogues coll...

  14. Transdiagnostic models of anxiety disorder: Theoretical and empirical underpinnings.

    Science.gov (United States)

    Norton, Peter J; Paulus, Daniel J

    2017-08-01

    Despite the increasing development, evaluation, and adoption of transdiagnostic cognitive behavioral therapies, relatively little has been written to detail the conceptual and empirical psychopathology framework underlying transdiagnostic models of anxiety and related disorders. In this review, the diagnostic, genetic, neurobiological, developmental, behavioral, cognitive, and interventional data underlying the model are described, with an emphasis on highlighting elements that both support and contradict transdiagnostic conceptualizations. Finally, a transdiagnostic model of anxiety disorder is presented and key areas of future evaluation and refinement are discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. On the influence of the gas velocity profile on the theoretically predicted opposed flow flame spread

    Energy Technology Data Exchange (ETDEWEB)

    DiBlasi, C.; Crescitelli, S.; Russo, G. (Dipartimento di Ingegneria Chimica, Universita de Napoli, Piazzale v Tecchio, Naples (IT)); FernandezPello, A.C. (California Univ., Berkeley, CA (USA). Dept. of Mechanical Engineering)

    1989-01-01

    A numerical analysis is presented of the effect on the predicted flame spread rate and flame structure of a prescribed gas velocity field opposing the direction of flame propagation. The calculations are made for two limiting cases of oxygen mass fraction and with Oseen and Hagen-Poiseuille velocity profiles. It is shown that the selected gas velocity profile has a significant influence on the flame spread predictions.

  16. Model Predictive Vibration Control Efficient Constrained MPC Vibration Control for Lightly Damped Mechanical Structures

    CERN Document Server

    Takács, Gergely

    2012-01-01

    Real-time model predictive controller (MPC) implementation in active vibration control (AVC) is often rendered difficult by fast sampling speeds and extensive actuator-deformation asymmetry. If the control of lightly damped mechanical structures is assumed, the region of attraction containing the set of allowable initial conditions requires a large prediction horizon, making the already computationally demanding on-line process even more complex. Model Predictive Vibration Control provides insight into the predictive control of lightly damped vibrating structures by exploring computationally efficient algorithms which are capable of low frequency vibration control with guaranteed stability and constraint feasibility. In addition to a theoretical primer on active vibration damping and model predictive control, Model Predictive Vibration Control provides a guide through the necessary steps in understanding the founding ideas of predictive control applied in AVC such as: ·         the implementation of ...

  17. Caries risk assessment models in caries prediction

    Directory of Open Access Journals (Sweden)

    Amila Zukanović

    2013-11-01

    Full Text Available Objective. The aim of this research was to assess the efficiency of different multifactor models in caries prediction. Material and methods. Data from the questionnaire and objective examination of 109 examinees was entered into the Cariogram, Previser and Caries-Risk Assessment Tool (CAT multifactor risk assessment models. Caries risk was assessed with the help of all three models for each patient, classifying them as low, medium or high-risk patients. The development of new caries lesions over a period of three years [Decay Missing Filled Tooth (DMFT increment = difference between Decay Missing Filled Tooth Surface (DMFTS index at baseline and follow up], provided for examination of the predictive capacity concerning different multifactor models. Results. The data gathered showed that different multifactor risk assessment models give significantly different results (Friedman test: Chi square = 100.073, p=0.000. Cariogram is the model which identified the majority of examinees as medium risk patients (70%. The other two models were more radical in risk assessment, giving more unfavorable risk –profiles for patients. In only 12% of the patients did the three multifactor models assess the risk in the same way. Previser and CAT gave the same results in 63% of cases – the Wilcoxon test showed that there is no statistically significant difference in caries risk assessment between these two models (Z = -1.805, p=0.071. Conclusions. Evaluation of three different multifactor caries risk assessment models (Cariogram, PreViser and CAT showed that only the Cariogram can successfully predict new caries development in 12-year-old Bosnian children.

  18. Disease prediction models and operational readiness.

    Directory of Open Access Journals (Sweden)

    Courtney D Corley

    Full Text Available The objective of this manuscript is to present a systematic review of biosurveillance models that operate on select agents and can forecast the occurrence of a disease event. We define a disease event to be a biological event with focus on the One Health paradigm. These events are characterized by evidence of infection and or disease condition. We reviewed models that attempted to predict a disease event, not merely its transmission dynamics and we considered models involving pathogens of concern as determined by the US National Select Agent Registry (as of June 2011. We searched commercial and government databases and harvested Google search results for eligible models, using terms and phrases provided by public health analysts relating to biosurveillance, remote sensing, risk assessments, spatial epidemiology, and ecological niche modeling. After removal of duplications and extraneous material, a core collection of 6,524 items was established, and these publications along with their abstracts are presented in a semantic wiki at http://BioCat.pnnl.gov. As a result, we systematically reviewed 44 papers, and the results are presented in this analysis. We identified 44 models, classified as one or more of the following: event prediction (4, spatial (26, ecological niche (28, diagnostic or clinical (6, spread or response (9, and reviews (3. The model parameters (e.g., etiology, climatic, spatial, cultural and data sources (e.g., remote sensing, non-governmental organizations, expert opinion, epidemiological were recorded and reviewed. A component of this review is the identification of verification and validation (V&V methods applied to each model, if any V&V method was reported. All models were classified as either having undergone Some Verification or Validation method, or No Verification or Validation. We close by outlining an initial set of operational readiness level guidelines for disease prediction models based upon established Technology

  19. Model Predictive Control based on Finite Impulse Response Models

    DEFF Research Database (Denmark)

    Prasath, Guru; Jørgensen, John Bagterp

    2008-01-01

    We develop a regularized l2 finite impulse response (FIR) predictive controller with input and input-rate constraints. Feedback is based on a simple constant output disturbance filter. The performance of the predictive controller in the face of plant-model mismatch is investigated by simulations...

  20. Fuzzy-Based Trust Prediction Model for Routing in WSNs

    Directory of Open Access Journals (Sweden)

    X. Anita

    2014-01-01

    Full Text Available The cooperative nature of multihop wireless sensor networks (WSNs makes it vulnerable to varied types of attacks. The sensitive application environments and resource constraints of WSNs mandate the requirement of lightweight security scheme. The earlier security solutions were based on historical behavior of neighbor but the security can be enhanced by predicting the future behavior of the nodes in the network. In this paper, we proposed a fuzzy-based trust prediction model for routing (FTPR in WSNs with minimal overhead in regard to memory and energy consumption. FTPR incorporates a trust prediction model that predicts the future behavior of the neighbor based on the historical behavior, fluctuations in trust value over a period of time, and recommendation inconsistency. In order to reduce the control overhead, FTPR received recommendations from a subset of neighbors who had maximum number of interactions with the requestor. Theoretical analysis and simulation results of FTPR protocol demonstrate higher packet delivery ratio, higher network lifetime, lower end-to-end delay, and lower memory and energy consumption than the traditional and existing trust-based routing schemes.