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Sample records for model incorporates structural

  1. Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

    Science.gov (United States)

    Duffy, Stephen F.

    1997-01-01

    Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineer's perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for "graceful" rather than catastrophic failure. When loaded in the fiber direction, these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, Ni

  2. A Refined Model for the Structure of Acireductone Dioxygenase from Klebsiella ATCC 8724 Incorporating Residual Dipolar Couplings

    Energy Technology Data Exchange (ETDEWEB)

    Pochapsky, Thomas C., E-mail: pochapsk@brandeis.edu; Pochapsky, Susan S.; Ju Tingting [Brandeis University, Department of Chemistry (United States); Hoefler, Chris [Brandeis University, Department of Biochemistry (United States); Liang Jue [Brandeis University, Department of Chemistry (United States)

    2006-02-15

    Acireductone dioxygenase (ARD) from Klebsiella ATCC 8724 is a metalloenzyme that is capable of catalyzing different reactions with the same substrates (acireductone and O{sub 2}) depending upon the metal bound in the active site. A model for the solution structure of the paramagnetic Ni{sup 2+}-containing ARD has been refined using residual dipolar couplings (RDCs) measured in two media. Additional dihedral restraints based on chemical shift (TALOS) were included in the refinement, and backbone structure in the vicinity of the active site was modeled from a crystallographic structure of the mouse homolog of ARD. The incorporation of residual dipolar couplings into the structural refinement alters the relative orientations of several structural features significantly, and improves local secondary structure determination. Comparisons between the solution structures obtained with and without RDCs are made, and structural similarities and differences between mouse and bacterial enzymes are described. Finally, the biological significance of these differences is considered.

  3. A durability model incorporating safe life methodology and damage tolerance approach to assess first inspection and maintenance period for structures

    International Nuclear Information System (INIS)

    Xiong, J.J.; Shenoi, R.A.

    2009-01-01

    This paper outlines a new durability model to assess the first inspection and maintenance period for structures. Practical scatter factor formulae are presented to determine the safe fatigue crack initiation and propagation lives from the results of a single full-scale test of a complete structure. New theoretical solutions are proposed to determine the s a -s m -N surfaces of fatigue crack initiation and propagation. Prediction techniques are then developed to establish the relationship equation between safe fatigue crack initiation and propagation lives with a specific reliability level using a two-stage fatigue damage cumulative rule. A new durability model incorporating safe life and damage tolerance design approaches is derived to assess the first inspection and maintenance period. Finally, the proposed models are applied to assess the first inspection and maintenance period of a fastening structure at the root of helicopter blade.

  4. A durability model incorporating safe life methodology and damage tolerance approach to assess first inspection and maintenance period for structures

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, J.J. [Aircraft Department, Beihang University, Beijing 100083 (China); Shenoi, R.A. [School of Engineering Sciences, University of Southampton, Southampton SO17 1BJ (United Kingdom)], E-mail: r.a.shenoi@ship.soton.ac.uk

    2009-08-15

    This paper outlines a new durability model to assess the first inspection and maintenance period for structures. Practical scatter factor formulae are presented to determine the safe fatigue crack initiation and propagation lives from the results of a single full-scale test of a complete structure. New theoretical solutions are proposed to determine the s{sub a}-s{sub m}-N surfaces of fatigue crack initiation and propagation. Prediction techniques are then developed to establish the relationship equation between safe fatigue crack initiation and propagation lives with a specific reliability level using a two-stage fatigue damage cumulative rule. A new durability model incorporating safe life and damage tolerance design approaches is derived to assess the first inspection and maintenance period. Finally, the proposed models are applied to assess the first inspection and maintenance period of a fastening structure at the root of helicopter blade.

  5. Absorbed dose evaluation based on a computational voxel model incorporating distinct cerebral structures

    Energy Technology Data Exchange (ETDEWEB)

    Brandao, Samia de Freitas; Trindade, Bruno; Campos, Tarcisio P.R. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil)]. E-mail: samiabrandao@gmail.com; bmtrindade@yahoo.com; campos@nuclear.ufmg.br

    2007-07-01

    Brain tumors are quite difficult to treat due to the collateral radiation damages produced on the patients. Despite of the improvements in the therapeutics protocols for this kind of tumor, involving surgery and radiotherapy, the failure rate is still extremely high. This fact occurs because tumors can not often be totally removed by surgery since it may produce some type of deficit in the cerebral functions. Radiotherapy is applied after the surgery, and both are palliative treatments. During radiotherapy the brain does not absorb the radiation dose in homogeneous way, because the various density and chemical composition of tissues involved. With the intention of evaluating better the harmful effects caused by radiotherapy it was developed an elaborated cerebral voxel model to be used in computational simulation of the irradiation protocols of brain tumors. This paper presents some structures function of the central nervous system and a detailed cerebral voxel model, created in the SISCODES program, considering meninges, cortex, gray matter, white matter, corpus callosum, limbic system, ventricles, hypophysis, cerebellum, brain stem and spinal cord. The irradiation protocol simulation was running in the MCNP5 code. The model was irradiated with photons beam whose spectrum simulates a linear accelerator of 6 MV. The dosimetric results were exported to SISCODES, which generated the isodose curves for the protocol. The percentage isodose curves in the brain are present in this paper. (author)

  6. Incorporating Modeling and Simulations in Undergraduate Biophysical Chemistry Course to Promote Understanding of Structure-Dynamics-Function Relationships in Proteins

    Science.gov (United States)

    Hati, Sanchita; Bhattacharyya, Sudeep

    2016-01-01

    A project-based biophysical chemistry laboratory course, which is offered to the biochemistry and molecular biology majors in their senior year, is described. In this course, the classroom study of the structure-function of biomolecules is integrated with the discovery-guided laboratory study of these molecules using computer modeling and…

  7. Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework

    Energy Technology Data Exchange (ETDEWEB)

    Machesky, Michael L. [Illinois State Water Survey, Champaign, IL; Predota, M. [University of South Bohemia, Czech Republic; Wesolowski, David J [ORNL

    2008-01-01

    The detailed solvation structure at the (110) surface of rutile ({alpha}-TiO{sub 2}) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming that the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 {angstrom} of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 C that agrees quantitatively with the experimentally determined value (5.4 {+-} 0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pH{sub znpc} values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pH{sub znpc} value of the rutile (110) surface at 25 C into quantitative agreement with the experimental value (4.8 {+-} 0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic

  8. Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework

    International Nuclear Information System (INIS)

    Machesky, Michael L.; Predota, M.; Wesolowski, David J.

    2008-01-01

    The detailed solvation structure at the (110) surface of rutile (α-TiO 2 ) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model framework to predict surface oxygen protonation constants. Quantum mechanical molecular dynamics (QMD) simulations in the presence of freely dissociable water molecules produced H-bond distributions around deprotonated surface oxygens very similar to those obtained by CMD with nondissociable SPC/E water, thereby confirming that the less computationally intensive CMD simulations provide accurate H-bond information. Utilizing this H-bond information within the refined MUSIC model, along with manually adjusted Ti-O surface bond lengths that are nonetheless within 0.05 (angstrom) of those obtained from static density functional theory (DFT) calculations and measured in X-ray reflectivity experiments (as well as bulk crystal values), give surface protonation constants that result in a calculated zero net proton charge pH value (pHznpc) at 25 C that agrees quantitatively with the experimentally determined value (5.4 ± 0.2) for a specific rutile powder dominated by the (110) crystal face. Moreover, the predicted pH znpc values agree to within 0.1 pH unit with those measured at all temperatures between 10 and 250 C. A slightly smaller manual adjustment of the DFT-derived Ti-O surface bond lengths was sufficient to bring the predicted pH znpc value of the rutile (110) surface at 25 C into quantitative agreement with the experimental value (4.8 ± 0.3) obtained from a polished and annealed rutile (110) single crystal surface in contact with dilute sodium nitrate solutions using second harmonic generation (SHG) intensity measurements as a function of ionic strength. Additionally, the H

  9. Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer.

    Science.gov (United States)

    Davie, Stuart J; Di Pasquale, Nicodemo; Popelier, Paul L A

    2016-10-15

    Machine learning algorithms have been demonstrated to predict atomistic properties approaching the accuracy of quantum chemical calculations at significantly less computational cost. Difficulties arise, however, when attempting to apply these techniques to large systems, or systems possessing excessive conformational freedom. In this article, the machine learning method kriging is applied to predict both the intra-atomic and interatomic energies, as well as the electrostatic multipole moments, of the atoms of a water molecule at the center of a 10 water molecule (decamer) cluster. Unlike previous work, where the properties of small water clusters were predicted using a molecular local frame, and where training set inputs (features) were based on atomic index, a variety of feature definitions and coordinate frames are considered here to increase prediction accuracy. It is shown that, for a water molecule at the center of a decamer, no single method of defining features or coordinate schemes is optimal for every property. However, explicitly accounting for the structure of the first solvation shell in the definition of the features of the kriging training set, and centring the coordinate frame on the atom-of-interest will, in general, return better predictions than models that apply the standard methods of feature definition, or a molecular coordinate frame. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

  10. Incorporating intelligence into structured radiology reports

    Science.gov (United States)

    Kahn, Charles E.

    2014-03-01

    The new standard for radiology reporting templates being developed through the Integrating the Healthcare Enterprise (IHE) and DICOM organizations defines the storage and exchange of reporting templates as Hypertext Markup Language version 5 (HTML5) documents. The use of HTML5 enables the incorporation of "dynamic HTML," in which documents can be altered in response to their content. HTML5 documents can employ JavaScript, the HTML Document Object Model (DOM), and external web services to create intelligent reporting templates. Several reporting templates were created to demonstrate the use of scripts to perform in-template calculations and decision support. For example, a template for adrenal CT was created to compute contrast washout percentage from input values of precontrast, dynamic postcontrast, and delayed adrenal nodule attenuation values; the washout value can used to classify an adrenal nodule as a benign cortical adenoma. Dynamic templates were developed to compute volumes and apply diagnostic criteria, such as those for determination of internal carotid artery stenosis. Although reporting systems need not use a web browser to render the templates or their contents, the use of JavaScript creates innumerable opportunities to construct highly sophisticated HTML5 reporting templates. This report demonstrates the ability to incorporate dynamic content to enhance the use of radiology reporting templates.

  11. Incorporating groundwater flow into the WEPP model

    Science.gov (United States)

    William Elliot; Erin Brooks; Tim Link; Sue Miller

    2010-01-01

    The water erosion prediction project (WEPP) model is a physically-based hydrology and erosion model. In recent years, the hydrology prediction within the model has been improved for forest watershed modeling by incorporating shallow lateral flow into watershed runoff prediction. This has greatly improved WEPP's hydrologic performance on small watersheds with...

  12. The Incorporation of Agencies in Colombia’s National Administrative Structure: An Axiological Comparison between Two Organizational Models of Public Administration

    Directory of Open Access Journals (Sweden)

    Alberto Montaña

    2015-06-01

    Full Text Available The incorporation of agencies into Colombia’s Administrative Structure has generated profound debates about the need to create administrative bodies that differ from traditional ones. Such incorporation is all the more problematic when these North American agencies are introduced without any real analysis of the local tradition and culture. The situation became more complicated as a consequence of the undisputed fact that the values and philosophies of the Public Administration Structure in Colombia are different from the predominant values in the United States. Hence, this paper provides a critical analysis of the institution and of its credulous and impulsive adoption of such instruments into our reality. 

  13. Incorporation of trace elements into hair structure

    International Nuclear Information System (INIS)

    Limic, N.; Valkovic, V.

    1985-01-01

    Examining blood and urine provides an immense insight into human diseases. It is natural to hope that the hair studies will be added routinely to the examinations. Human head hair is a recording filament which can reflect metabolic changes of many elements over a long period of time. The idea of hair analysis is very inviting, because hair is easily samples, shipped and analyzed. In this paper the authors propose a method for the determination of some diffusion parameters from experimental data on the distribution of trace element concentrations in hair and then a method for the determination of the radial diffusion constants of Se, Zn and Pb. The authors' model of hair structure with respect to diffusion is based on the supposition of cross-sectional homogeneity as well as the longitudinal homogeneity of hair. This supposition implies nonisotropic diffusion in hair which is described by two diffusion constants. Diffusion constants can be determined by experiment on wetting hair in solvents or by measurements of natural contamination of hair in air. The first type of experiments can be arranged in various ways to separate radial diffusion from the longitudinal one and, consequently, to determine two diffusion constants from various sets of experiments. The authors' aim is to consider only radial diffusion in hair and to determine the radial diffusion constants of Se, Zn and Pb

  14. Boron incorporation into rutile: phase equilibria and structural considerations

    International Nuclear Information System (INIS)

    Grey, I.E.; Li, C.; MacRae, C.M.; Bursill, L.A.

    1997-01-01

    Reduction of rutile in the presence of borate flux stabilised the rutile phase relative to reduced rutiles due to incorporation of boron from the flux. In the presence of borates the rutile phase is stabilised to oxygen fugacities that are lower by almost two orders of magnitude compared with fugacities at the limit of the single-phase rutile phase field in the pure Ti-O system. Boron incorporation is accompanied by reduction of titanium to the trivalent state, according to the charge compensation relation: 3Ti 4+ ≡ 3 Ti 3+ + B 3+ . Results of powder X-ray diffraction and transmission electron microscopy studies on samples prepared in the temperature range 1100 to 1300 deg C have been used to establish a model for boron incorporation. It is proposed that at the temperatures studied, local defects in boron doped rutile result from displacement of titanium atoms to adjacent interstitial sites coupled with occupation by boron of the triangular face of the vacated octahedral sites. This atomic grouping represents a small element of the TiBO 3 (calcite-type) structure. Annealing at a lower temperature results in ordering of the local defects to form (101) r planar intergrowths of rutile and calcite-type structures. 14 refs., 3 tabs., 8 figs

  15. Boron incorporation into rutile: phase equilibria and structural considerations

    Energy Technology Data Exchange (ETDEWEB)

    Grey, I.E.; Li, C.; MacRae, C.M. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), East Melbourne, VIC (Australia). Div of Minerals; Bursill, L.A. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1997-06-01

    Reduction of rutile in the presence of borate flux stabilised the rutile phase relative to reduced rutiles due to incorporation of boron from the flux. In the presence of borates the rutile phase is stabilised to oxygen fugacities that are lower by almost two orders of magnitude compared with fugacities at the limit of the single-phase rutile phase field in the pure Ti-O system. Boron incorporation is accompanied by reduction of titanium to the trivalent state, according to the charge compensation relation: 3Ti{sup 4+}{identical_to} 3 Ti{sup 3+} + B{sup 3+}. Results of powder X-ray diffraction and transmission electron microscopy studies on samples prepared in the temperature range 1100 to 1300 deg C have been used to establish a model for boron incorporation. It is proposed that at the temperatures studied, local defects in boron doped rutile result from displacement of titanium atoms to adjacent interstitial sites coupled with occupation by boron of the triangular face of the vacated octahedral sites. This atomic grouping represents a small element of the TiBO{sub 3} (calcite-type) structure. Annealing at a lower temperature results in ordering of the local defects to form (101){sub r} planar intergrowths of rutile and calcite-type structures. 14 refs., 3 tabs., 8 figs.

  16. Search Path Evaluation Incorporating Object Placement Structure

    National Research Council Canada - National Science Library

    Baylog, John G; Wettergren, Thomas A

    2007-01-01

    This report describes a computationally robust approach to search path performance evaluation where the objects of search interest exhibit structure in the way in which they occur within the search space...

  17. Incorporating interfacial phenomena in solidification models

    Science.gov (United States)

    Beckermann, Christoph; Wang, Chao Yang

    1994-01-01

    A general methodology is available for the incorporation of microscopic interfacial phenomena in macroscopic solidification models that include diffusion and convection. The method is derived from a formal averaging procedure and a multiphase approach, and relies on the presence of interfacial integrals in the macroscopic transport equations. In a wider engineering context, these techniques are not new, but their application in the analysis and modeling of solidification processes has largely been overlooked. This article describes the techniques and demonstrates their utility in two examples in which microscopic interfacial phenomena are of great importance.

  18. Incorporating neurophysiological concepts in mathematical thermoregulation models

    Science.gov (United States)

    Kingma, Boris R. M.; Vosselman, M. J.; Frijns, A. J. H.; van Steenhoven, A. A.; van Marken Lichtenbelt, W. D.

    2014-01-01

    Skin blood flow (SBF) is a key player in human thermoregulation during mild thermal challenges. Various numerical models of SBF regulation exist. However, none explicitly incorporates the neurophysiology of thermal reception. This study tested a new SBF model that is in line with experimental data on thermal reception and the neurophysiological pathways involved in thermoregulatory SBF control. Additionally, a numerical thermoregulation model was used as a platform to test the function of the neurophysiological SBF model for skin temperature simulation. The prediction-error of the SBF-model was quantified by root-mean-squared-residual (RMSR) between simulations and experimental measurement data. Measurement data consisted of SBF (abdomen, forearm, hand), core and skin temperature recordings of young males during three transient thermal challenges (1 development and 2 validation). Additionally, ThermoSEM, a thermoregulation model, was used to simulate body temperatures using the new neurophysiological SBF-model. The RMSR between simulated and measured mean skin temperature was used to validate the model. The neurophysiological model predicted SBF with an accuracy of RMSR human thermoregulation models can be equipped with SBF control functions that are based on neurophysiology without loss of performance. The neurophysiological approach in modelling thermoregulation is favourable over engineering approaches because it is more in line with the underlying physiology.

  19. Analysis of the mechanical behavior of single wall carbon nanotubes by a modified molecular structural mechanics model incorporating an advanced chemical force field

    Science.gov (United States)

    Eberhardt, Oliver; Wallmersperger, Thomas

    2018-03-01

    The outstanding properties of carbon nanotubes (CNTs) keep attracting the attention of researchers from different fields. CNTs are promising candidates for applications e.g. in lightweight construction but also in electronics, medicine and many more. The basis for the realization of the manifold applications is a detailed knowledge of the material properties of the carbon nanotubes. In particular for applications in lightweight constructions or in composites, the knowledge of the mechanical behavior of the CNTs is of vital interest. Hence, a lot of effort is put into the experimental and theoretical determination of the mechanical material properties of CNTs. Due to their small size, special techniques have to be applied. In this research, a modified molecular structural mechanics model for the numerical determination of the mechanical behavior of carbon nanotubes is presented. It uses an advanced approach for the geometrical representation of the CNT structure while the covalent bonds in the CNTs are represented by beam elements. Furthermore, the model is specifically designed to overcome major drawbacks in existing molecular structural mechanics models. This includes energetic consistency with the underlying chemical force field. The model is developed further to enable the application of a more advanced chemical force field representation. The developed model is able to predict, inter alia, the lateral and radial stiffness properties of the CNTs. The results for the lateral stiffness are given and discussed in order to emphasize the progress made with the presented approach.

  20. Cooperative effects in the structuring of fluoride water clusters: Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent

    Science.gov (United States)

    Bryce, Richard A.; Vincent, Mark A.; Malcolm, Nathaniel O. J.; Hillier, Ian H.; Burton, Neil A.

    1998-08-01

    A new hybrid quantum mechanical/molecular mechanical model of solvation is developed and used to describe the structure and dynamics of small fluoride/water clusters, using an ab initio wave function to model the ion and a fluctuating charge potential to model the waters. Appropriate parameters for the water-water and fluoride-water interactions are derived, with the fluoride anion being described by density functional theory and a large Gaussian basis. The role of solvent polarization in determining the structure and energetics of F(H2O)4- clusters is investigated, predicting a slightly greater stability of the interior compared to the surface structure, in agreement with ab initio studies. An extended Lagrangian treatment of the polarizable water, in which the water atomic charges fluctuate dynamically, is used to study the dynamics of F(H2O)4- cluster. A simulation using a fixed solvent charge distribution indicates principally interior, solvated states for the cluster. However, a preponderance of trisolvated configurations is observed using the polarizable model at 300 K, which involves only three direct fluoride-water hydrogen bonds. Ab initio calculations confirm this trisolvated species as a thermally accessible state at room temperature, in addition to the tetrasolvated interior and surface structures. Extension of this polarizable water model to fluoride clusters with five and six waters gave less satisfactory agreement with experimental energies and with ab initio geometries. However, our results do suggest that a quantitative model of solvent polarization is fundamental for an accurate understanding of the properties of anionic water clusters.

  1. Evolutionary snowdrift game incorporating costly punishment in structured populations

    Science.gov (United States)

    Chan, Nat W. H.; Xu, C.; Tey, Siew Kian; Yap, Yee Jiun; Hui, P. M.

    2013-01-01

    The role of punishment and the effects of a structured population in promoting cooperation are important issues. Within a recent model of snowdrift game (SG) incorporating a costly punishing strategy (P), we study the effects of a population connected through a square lattice. The punishers, who carry basically a cooperative (C) character, are willing to pay a cost α so as to punish a non-cooperative (D) opponent by β. Depending on α, β, the cost-to-benefit ratio r in SG, and the initial conditions, the system evolves into different phases that could be homogeneous or inhomogeneous. The spatial structure imposes geometrical constraint on how one agent is affected by neighboring agents. Results of extensive numerical simulations, both for the steady state and the dynamics, are presented. Possible phases are identified and discussed, and isolated phases in the r-β space are identified as special local structures of strategies that are stable due to the lattice structure. In contrast to a well-mixed population where punishers are suppressed due to the cost of punishment, the altruistic punishing strategy can flourish and prevail for appropriate values of the parameters, implying an enhancement in cooperation by imposing punishments in a structured population. The system could evolve to a phase corresponding to the coexistence of C, D, and P strategies at some particular payoff parameters, and such a phase is absent in a well-mixed population. The pair approximation, a commonly used analytic approach, is extended from a two-strategy system to a three-strategy system. We show that the pair approximation can, at best, capture the numerical results only qualitatively. Due to the improper way of including spatial correlation imposed by the lattice structure, the approximation does not give the frequencies of C, D, and P accurately and fails to give the homogeneous AllD and AllP phases.

  2. Incorporating damage mechanics into explosion simulation models

    International Nuclear Information System (INIS)

    Sammis, C.G.

    1993-01-01

    The source region of an underground explosion is commonly modeled as a nested series of shells. In the innermost open-quotes hydrodynamic regimeclose quotes pressures and temperatures are sufficiently high that the rock deforms as a fluid and may be described using a PVT equation of state. Just beyond the hydrodynamic regime, is the open-quotes non-linear regimeclose quotes in which the rock has shear strength but the deformation is nonlinear. This regime extends out to the open-quotes elastic radiusclose quotes beyond which the deformation is linear. In this paper, we develop a model for the non-linear regime in crystalline source rock where the nonlinearity is mostly due to fractures. We divide the non-linear regime into a open-quotes damage regimeclose quotes in which the stresses are sufficiently high to nucleate new fractures from preexisting ones and a open-quotes crack-slidingclose quotes regime where motion on preexisting cracks produces amplitude dependent attenuation and other non-linear effects, but no new cracks are nucleated. The boundary between these two regimes is called the open-quotes damage radius.close quotes The micromechanical damage mechanics recently developed by Ashby and Sammis (1990) is used to write an analytic expression for the damage radius in terms of the initial fracture spectrum of the source rock, and to develop an algorithm which may be used to incorporate damage mechanics into computer source models for the damage regime. Effects of water saturation and loading rate are also discussed

  3. Incorporating direct marketing activity into latent attrition models

    NARCIS (Netherlands)

    Schweidel, David A.; Knox, George

    2013-01-01

    When defection is unobserved, latent attrition models provide useful insights about customer behavior and accurate forecasts of customer value. Yet extant models ignore direct marketing efforts. Response models incorporate the effects of direct marketing, but because they ignore latent attrition,

  4. Structural incorporation of Neptunyl(V) into Calcite: Interfacial Reactions and Kinetics

    OpenAIRE

    Heberling, Frank

    2010-01-01

    In this experimental work the calcite-water interface is characterized by means of zetapotential and surface diffraction measurements. Based on the experimental results a new Basic Stern Surface Complexation model for calcite is developed. Neptunyl(V) adsorption at the calcite surface and incorporation into the calcite structure is studied by batch type adsorption- and mixed flow reactor experiments. Adsorption and incorporation species of Neptunyl are investigated by EXAFS spectroscopy.

  5. Incorporating uncertainty in predictive species distribution modelling.

    Science.gov (United States)

    Beale, Colin M; Lennon, Jack J

    2012-01-19

    Motivated by the need to solve ecological problems (climate change, habitat fragmentation and biological invasions), there has been increasing interest in species distribution models (SDMs). Predictions from these models inform conservation policy, invasive species management and disease-control measures. However, predictions are subject to uncertainty, the degree and source of which is often unrecognized. Here, we review the SDM literature in the context of uncertainty, focusing on three main classes of SDM: niche-based models, demographic models and process-based models. We identify sources of uncertainty for each class and discuss how uncertainty can be minimized or included in the modelling process to give realistic measures of confidence around predictions. Because this has typically not been performed, we conclude that uncertainty in SDMs has often been underestimated and a false precision assigned to predictions of geographical distribution. We identify areas where development of new statistical tools will improve predictions from distribution models, notably the development of hierarchical models that link different types of distribution model and their attendant uncertainties across spatial scales. Finally, we discuss the need to develop more defensible methods for assessing predictive performance, quantifying model goodness-of-fit and for assessing the significance of model covariates.

  6. Formatt: Correcting protein multiple structural alignments by incorporating sequence alignment

    Directory of Open Access Journals (Sweden)

    Daniels Noah M

    2012-10-01

    Full Text Available Abstract Background The quality of multiple protein structure alignments are usually computed and assessed based on geometric functions of the coordinates of the backbone atoms from the protein chains. These purely geometric methods do not utilize directly protein sequence similarity, and in fact, determining the proper way to incorporate sequence similarity measures into the construction and assessment of protein multiple structure alignments has proved surprisingly difficult. Results We present Formatt, a multiple structure alignment based on the Matt purely geometric multiple structure alignment program, that also takes into account sequence similarity when constructing alignments. We show that Formatt outperforms Matt and other popular structure alignment programs on the popular HOMSTRAD benchmark. For the SABMark twilight zone benchmark set that captures more remote homology, Formatt and Matt outperform other programs; depending on choice of embedded sequence aligner, Formatt produces either better sequence and structural alignments with a smaller core size than Matt, or similarly sized alignments with better sequence similarity, for a small cost in average RMSD. Conclusions Considering sequence information as well as purely geometric information seems to improve quality of multiple structure alignments, though defining what constitutes the best alignment when sequence and structural measures would suggest different alignments remains a difficult open question.

  7. A Financial Market Model Incorporating Herd Behaviour.

    Science.gov (United States)

    Wray, Christopher M; Bishop, Steven R

    2016-01-01

    Herd behaviour in financial markets is a recurring phenomenon that exacerbates asset price volatility, and is considered a possible contributor to market fragility. While numerous studies investigate herd behaviour in financial markets, it is often considered without reference to the pricing of financial instruments or other market dynamics. Here, a trader interaction model based upon informational cascades in the presence of information thresholds is used to construct a new model of asset price returns that allows for both quiescent and herd-like regimes. Agent interaction is modelled using a stochastic pulse-coupled network, parametrised by information thresholds and a network coupling probability. Agents may possess either one or two information thresholds that, in each case, determine the number of distinct states an agent may occupy before trading takes place. In the case where agents possess two thresholds (labelled as the finite state-space model, corresponding to agents' accumulating information over a bounded state-space), and where coupling strength is maximal, an asymptotic expression for the cascade-size probability is derived and shown to follow a power law when a critical value of network coupling probability is attained. For a range of model parameters, a mixture of negative binomial distributions is used to approximate the cascade-size distribution. This approximation is subsequently used to express the volatility of model price returns in terms of the model parameter which controls the network coupling probability. In the case where agents possess a single pulse-coupling threshold (labelled as the semi-infinite state-space model corresponding to agents' accumulating information over an unbounded state-space), numerical evidence is presented that demonstrates volatility clustering and long-memory patterns in the volatility of asset returns. Finally, output from the model is compared to both the distribution of historical stock returns and the market

  8. A Financial Market Model Incorporating Herd Behaviour.

    Directory of Open Access Journals (Sweden)

    Christopher M Wray

    Full Text Available Herd behaviour in financial markets is a recurring phenomenon that exacerbates asset price volatility, and is considered a possible contributor to market fragility. While numerous studies investigate herd behaviour in financial markets, it is often considered without reference to the pricing of financial instruments or other market dynamics. Here, a trader interaction model based upon informational cascades in the presence of information thresholds is used to construct a new model of asset price returns that allows for both quiescent and herd-like regimes. Agent interaction is modelled using a stochastic pulse-coupled network, parametrised by information thresholds and a network coupling probability. Agents may possess either one or two information thresholds that, in each case, determine the number of distinct states an agent may occupy before trading takes place. In the case where agents possess two thresholds (labelled as the finite state-space model, corresponding to agents' accumulating information over a bounded state-space, and where coupling strength is maximal, an asymptotic expression for the cascade-size probability is derived and shown to follow a power law when a critical value of network coupling probability is attained. For a range of model parameters, a mixture of negative binomial distributions is used to approximate the cascade-size distribution. This approximation is subsequently used to express the volatility of model price returns in terms of the model parameter which controls the network coupling probability. In the case where agents possess a single pulse-coupling threshold (labelled as the semi-infinite state-space model corresponding to agents' accumulating information over an unbounded state-space, numerical evidence is presented that demonstrates volatility clustering and long-memory patterns in the volatility of asset returns. Finally, output from the model is compared to both the distribution of historical stock

  9. A Financial Market Model Incorporating Herd Behaviour

    Science.gov (United States)

    2016-01-01

    Herd behaviour in financial markets is a recurring phenomenon that exacerbates asset price volatility, and is considered a possible contributor to market fragility. While numerous studies investigate herd behaviour in financial markets, it is often considered without reference to the pricing of financial instruments or other market dynamics. Here, a trader interaction model based upon informational cascades in the presence of information thresholds is used to construct a new model of asset price returns that allows for both quiescent and herd-like regimes. Agent interaction is modelled using a stochastic pulse-coupled network, parametrised by information thresholds and a network coupling probability. Agents may possess either one or two information thresholds that, in each case, determine the number of distinct states an agent may occupy before trading takes place. In the case where agents possess two thresholds (labelled as the finite state-space model, corresponding to agents’ accumulating information over a bounded state-space), and where coupling strength is maximal, an asymptotic expression for the cascade-size probability is derived and shown to follow a power law when a critical value of network coupling probability is attained. For a range of model parameters, a mixture of negative binomial distributions is used to approximate the cascade-size distribution. This approximation is subsequently used to express the volatility of model price returns in terms of the model parameter which controls the network coupling probability. In the case where agents possess a single pulse-coupling threshold (labelled as the semi-infinite state-space model corresponding to agents’ accumulating information over an unbounded state-space), numerical evidence is presented that demonstrates volatility clustering and long-memory patterns in the volatility of asset returns. Finally, output from the model is compared to both the distribution of historical stock returns and the

  10. Incorporation of iodine into calcium phosphates with apatitic structure

    International Nuclear Information System (INIS)

    Coulon, Antoine

    2014-01-01

    In order to avoid the release of 129 I (long-lived intermediate-level waste) in the environment, we describe a novel material incorporating iodine under the form of iodate in a calcium phosphate based hydroxyapatite. This material is prepared by two synthetic processes: a wet precipitation route followed by a spark plasma sintering and a cementitious route. A high iodine content (with a maximum incorporation rate of 10 wt.%) is reached for both processes, by incorporation of the iodate in the apatitic structure. A monolith with relative density of 88.6% was obtained after shaping of the precipitated powders by spark plasma sintering. This material reveals satisfactory leaching properties, with an initial leaching rate in pure water at 50 C of 10 -2 g.m -2 .j -1 , and a residual leaching rate at 50 C of 10 -5 g.m -2 .j -1 in underground water of potential geological repositories. All in all, this material is a potential candidate for the conditioning of radioactive iodine. (author) [fr

  11. Incorporating A Structured Writing Process into Existing CLS Curricula.

    Science.gov (United States)

    Honeycutt, Karen; Latshaw, Sandra

    2014-01-01

    Good communication and critical thinking are essential skills for all successful professionals, including Clinical Laboratory Science/Medical Laboratory Science (CLS/MLS) practitioners. Professional programs can incorporate writing assignments into their curricula to improve student written communication and critical thinking skills. Clearly defined, scenario-focused writing assignments provide student practice in clearly articulating responses to proposed problems or situations, researching and utilizing informational resources, and applying and synthesizing relevant information. Assessment rubrics, structured feedback, and revision writing methodologies help guide students through the writing process. This article describes how a CLS Program in a public academic medical center, located in the central United States (US) serving five centrally-located US states has incorporated writing intensive assignments into an existing 11-month academic year using formal, informal and reflective writing to improve student written communication and critical thinking skills. Faculty members and employers of graduates assert that incorporating writing intensive requirements have better prepared students for their professional role to effectively communicate and think critically.

  12. A General Chemistry Experiment Incorporating Synthesis and Structural Determination

    Science.gov (United States)

    van Ryswyk, Hal

    1997-07-01

    An experiment for the general chemistry laboratory is described wherein gas chromatography-mass spectroscopy (GC-MS) and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) are used to characterize the products of a series of microscale reactions on vanillin. A single sophisticated instrument can be incorporated into the laboratory given sufficient attention to the use of sampling accessories and software macros. Synthetic experiments coupled with modern instrumental techniques can be used in the general chemistry laboratory to illustrate the concepts of synthesis, structure, bonding, and spectroscopy.

  13. Incorporating territory compression into population models

    NARCIS (Netherlands)

    Ridley, J; Komdeur, J; Sutherland, WJ; Sutherland, William J.

    The ideal despotic distribution, whereby the lifetime reproductive success a territory's owner achieves is unaffected by population density, is a mainstay of behaviour-based population models. We show that the population dynamics of an island population of Seychelles warblers (Acrocephalus

  14. Structure and oxygen incorporation in low pressure sputtered YBCO films

    International Nuclear Information System (INIS)

    Chaudhary, S.; Pandya, D. K.; Kashyap, S. C.

    2002-01-01

    Thin films of YBa 2 Cu 3 O 7- δ (YBCO) have been successfully grown by reactive RF-magnetron sputtering technique at low pressure. The oxygen partial pressure of 0.95 mTorr, a total pressure (argon and oxygen) of 1.9 mTorr, and a substrate temperature of 775 grad C resulted in good quality films with T C (R=0) = 85.3 K and J Cmag (4.2 K) ≅ 2x10 7 A/cm 2 . The incorporation of oxygen in the as-grown films has been controlled by using different ambient - oxygen, air or argon during in-situ cooling. The superconducting behaviour of the films was studied using resistance-temperature and low field ac-susceptibility measurements and correlated with their structure. All the films exhibited metallic conduction in the normal state. The oxygen- and air- cooled films were superconducting, possessing the usual orthorhombic structure. The argon-cooled films were non-superconducting possessing the tetragonal structure, thus implying that the structure of the film during deposition is tetragonal which transforms to either of the oxygen rich orthorhombic-I or -II phases depending upon the oxygen/air ambient. The 'δ' values of 0.14, 0.32 and 0.70 and higher 'c'-parameters of 1.1785, 1.180 and 1.183 nm have been obtained for oxygen, air and argon cooled films respectively. (Authors)

  15. True dose from incorporated activities. Models for internal dosimetry

    International Nuclear Information System (INIS)

    Breustedt, B.; Eschner, W.; Nosske, D.

    2012-01-01

    The assessment of doses after incorporation of radionuclides cannot use direct measurements of the doses, as for example dosimetry in external radiation fields. The only observables are activities in the body or in excretions. Models are used to calculate the doses based on the measured activities. The incorporated activities and the resulting doses can vary by more than seven orders of magnitude between occupational and medical exposures. Nevertheless the models and calculations applied in both cases are similar. Since the models for the different applications have been developed independently by ICRP and MIRD different terminologies have been used. A unified terminology is being developed. (orig.)

  16. Structural Modification in Carbon Nanotubes by Boron Incorporation

    Directory of Open Access Journals (Sweden)

    Handuja Sangeeta

    2009-01-01

    Full Text Available Abstract We have synthesized boron-incorporated carbon nanotubes (CNTs by decomposition of ferrocene and xylene in a thermal chemical vapor deposition set up using boric acid as the boron source. Scanning and transmission electron microscopy studies of the synthesized CNT samples showed that there was deterioration in crystallinity and improvement in alignment of the CNTs as the boron content in precursor solution increased from 0% to 15%. Raman analysis of these samples showed a shift of ~7 cm−1in wave number to higher side and broadening of the G band with increasing boron concentration along with an increase in intensity of the G band. Furthermore, there was an increase in the intensity of the D band along with a decrease in its wave number position with increase in boron content. We speculate that these structural modifications in the morphology and microstructure of CNTs might be due to the charge transfer from boron to the graphite matrix, resulting in shortening of the carbon–carbon bonds.

  17. Incorporating parametric uncertainty into population viability analysis models

    Science.gov (United States)

    McGowan, Conor P.; Runge, Michael C.; Larson, Michael A.

    2011-01-01

    Uncertainty in parameter estimates from sampling variation or expert judgment can introduce substantial uncertainty into ecological predictions based on those estimates. However, in standard population viability analyses, one of the most widely used tools for managing plant, fish and wildlife populations, parametric uncertainty is often ignored in or discarded from model projections. We present a method for explicitly incorporating this source of uncertainty into population models to fully account for risk in management and decision contexts. Our method involves a two-step simulation process where parametric uncertainty is incorporated into the replication loop of the model and temporal variance is incorporated into the loop for time steps in the model. Using the piping plover, a federally threatened shorebird in the USA and Canada, as an example, we compare abundance projections and extinction probabilities from simulations that exclude and include parametric uncertainty. Although final abundance was very low for all sets of simulations, estimated extinction risk was much greater for the simulation that incorporated parametric uncertainty in the replication loop. Decisions about species conservation (e.g., listing, delisting, and jeopardy) might differ greatly depending on the treatment of parametric uncertainty in population models.

  18. A stochastic MILP energy planning model incorporating power market dynamics

    International Nuclear Information System (INIS)

    Koltsaklis, Nikolaos E.; Nazos, Konstantinos

    2017-01-01

    Highlights: •Stochastic MILP model for the optimal energy planning of a power system. •Power market dynamics (offers/bids) are incorporated in the proposed model. •Monte Carlo method for capturing the uncertainty of some key parameters. •Analytical supply cost composition per power producer and activity. •Clean dark and spark spreads are calculated for each power unit. -- Abstract: This paper presents an optimization-based methodological approach to address the problem of the optimal planning of a power system at an annual level in competitive and uncertain power markets. More specifically, a stochastic mixed integer linear programming model (MILP) has been developed, combining advanced optimization techniques with Monte Carlo method in order to deal with uncertainty issues. The main focus of the proposed framework is the dynamic formulation of the strategy followed by all market participants in volatile market conditions, as well as detailed economic assessment of the power system’s operation. The applicability of the proposed approach has been tested on a real case study of the interconnected Greek power system, quantifying in detail all the relevant technical and economic aspects of the system’s operation. The proposed work identifies in the form of probability distributions the optimal power generation mix, electricity trade at a regional level, carbon footprint, as well as detailed total supply cost composition, according to the assumed market structure. The paper demonstrates that the proposed optimization approach is able to provide important insights into the appropriate energy strategies designed by market participants, as well as on the strategic long-term decisions to be made by investors and/or policy makers at a national and/or regional level, underscoring potential risks and providing appropriate price signals on critical energy projects under real market operating conditions.

  19. "Violent Intent Modeling: Incorporating Cultural Knowledge into the Analytical Process

    Energy Technology Data Exchange (ETDEWEB)

    Sanfilippo, Antonio P.; Nibbs, Faith G.

    2007-08-24

    While culture has a significant effect on the appropriate interpretation of textual data, the incorporation of cultural considerations into data transformations has not been systematic. Recognizing that the successful prevention of terrorist activities could hinge on the knowledge of the subcultures, Anthropologist and DHS intern Faith Nibbs has been addressing the need to incorporate cultural knowledge into the analytical process. In this Brown Bag she will present how cultural ideology is being used to understand how the rhetoric of group leaders influences the likelihood of their constituents to engage in violent or radicalized behavior, and how violent intent modeling can benefit from understanding that process.

  20. Digital terrain model generalization incorporating scale, semantic and cognitive constraints

    Science.gov (United States)

    Partsinevelos, Panagiotis; Papadogiorgaki, Maria

    2014-05-01

    Cartographic generalization is a well-known process accommodating spatial data compression, visualization and comprehension under various scales. In the last few years, there are several international attempts to construct tangible GIS systems, forming real 3D surfaces using a vast number of mechanical parts along a matrix formation (i.e., bars, pistons, vacuums). Usually, moving bars upon a structured grid push a stretching membrane resulting in a smooth visualization for a given surface. Most of these attempts suffer either in their cost, accuracy, resolution and/or speed. Under this perspective, the present study proposes a surface generalization process that incorporates intrinsic constrains of tangible GIS systems including robotic-motor movement and surface stretching limitations. The main objective is to provide optimized visualizations of 3D digital terrain models with minimum loss of information. That is, to minimize the number of pixels in a raster dataset used to define a DTM, while reserving the surface information. This neighborhood type of pixel relations adheres to the basics of Self Organizing Map (SOM) artificial neural networks, which are often used for information abstraction since they are indicative of intrinsic statistical features contained in the input patterns and provide concise and characteristic representations. Nevertheless, SOM remains more like a black box procedure not capable to cope with possible particularities and semantics of the application at hand. E.g. for coastal monitoring applications, the near - coast areas, surrounding mountains and lakes are more important than other features and generalization should be "biased"-stratified to fulfill this requirement. Moreover, according to the application objectives, we extend the SOM algorithm to incorporate special types of information generalization by differentiating the underlying strategy based on topologic information of the objects included in the application. The final

  1. Incorporation of composite defects from ultrasonic NDE into CAD and FE models

    Science.gov (United States)

    Bingol, Onur Rauf; Schiefelbein, Bryan; Grandin, Robert J.; Holland, Stephen D.; Krishnamurthy, Adarsh

    2017-02-01

    Fiber-reinforced composites are widely used in aerospace industry due to their combined properties of high strength and low weight. However, owing to their complex structure, it is difficult to assess the impact of manufacturing defects and service damage on their residual life. While, ultrasonic testing (UT) is the preferred NDE method to identify the presence of defects in composites, there are no reasonable ways to model the damage and evaluate the structural integrity of composites. We have developed an automated framework to incorporate flaws and known composite damage automatically into a finite element analysis (FEA) model of composites, ultimately aiding in accessing the residual life of composites and make informed decisions regarding repairs. The framework can be used to generate a layer-by-layer 3D structural CAD model of the composite laminates replicating their manufacturing process. Outlines of structural defects, such as delaminations, are automatically detected from UT of the laminate and are incorporated into the CAD model between the appropriate layers. In addition, the framework allows for direct structural analysis of the resulting 3D CAD models with defects by automatically applying the appropriate boundary conditions. In this paper, we show a working proof-of-concept for the composite model builder with capabilities of incorporating delaminations between laminate layers and automatically preparing the CAD model for structural analysis using a FEA software.

  2. Nuclear fuel assembly incorporating primary and secondary structural support members

    International Nuclear Information System (INIS)

    Carlson, W.R.; Gjertsen, R.K.; Miller, J.V.

    1987-01-01

    A nuclear fuel assembly, comprising: (a) an upper end structure; (b) a lower end structure; (c) elongated primary structural members extending longitudinally between and rigidly interconnecting the upper and lower end structures, the upper and lower end structures and primary structural members together forming a rigid structural skeleton of the fuel assembly; (d) transverse grids supported on the primary structural members at axially spaced locations therealong between the upper and lower end structures; (e) fuel rods extending through and supported by the grids between the upper and lower end structures so as to extend in generally side-by-side spaced relation to one another and to the primary structural members; and (f) elongated secondary structural members extending longitudinally between but unconnected with the upper and lower end structures, the secondary structural members extending through and rigidly interconnected with the grids to extend in generally side-by-side spaced relation to one another, to the fuel rods and to the primary structural members so as to bolster the stiffness of the structural skeleton of the fuel assembly

  3. Incorporating nitrogen fixing cyanobacteria in the global biogeochemical model HAMOCC

    Science.gov (United States)

    Paulsen, Hanna; Ilyina, Tatiana; Six, Katharina

    2015-04-01

    Nitrogen fixation by marine diazotrophs plays a fundamental role in the oceanic nitrogen and carbon cycle as it provides a major source of 'new' nitrogen to the euphotic zone that supports biological carbon export and sequestration. Since most global biogeochemical models include nitrogen fixation only diagnostically, they are not able to capture its spatial pattern sufficiently. Here we present the incorporation of an explicit, dynamic representation of diazotrophic cyanobacteria and the corresponding nitrogen fixation in the global ocean biogeochemical model HAMOCC (Hamburg Ocean Carbon Cycle model), which is part of the Max Planck Institute for Meteorology Earth system model (MPI-ESM). The parameterization of the diazotrophic growth is thereby based on available knowledge about the cyanobacterium Trichodesmium spp., which is considered as the most significant pelagic nitrogen fixer. Evaluation against observations shows that the model successfully reproduces the main spatial distribution of cyanobacteria and nitrogen fixation, covering large parts of the tropical and subtropical oceans. Besides the role of cyanobacteria in marine biogeochemical cycles, their capacity to form extensive surface blooms induces a number of bio-physical feedback mechanisms in the Earth system. The processes driving these interactions, which are related to the alteration of heat absorption, surface albedo and momentum input by wind, are incorporated in the biogeochemical and physical model of the MPI-ESM in order to investigate their impacts on a global scale. First preliminary results will be shown.

  4. Methods improvements incorporated into the SAPHIRE ASP models

    International Nuclear Information System (INIS)

    Sattison, M.B.; Blackman, H.S.; Novack, S.D.; Smith, C.L.; Rasmuson, D.M.

    1994-01-01

    The Office for Analysis and Evaluation of Operational Data (AEOD) has sought the assistance of the Idaho National Engineering Laboratory (INEL) to make some significant enhancements to the SAPHIRE-based Accident Sequence Precursor (ASP) models recently developed by the INEL. The challenge of this project is to provide the features of a full-scale PRA within the framework of the simplified ASP models. Some of these features include: (1) uncertainty analysis addressing the standard PRA uncertainties and the uncertainties unique to the ASP models and methodology, (2) incorporation and proper quantification of individual human actions and the interaction among human actions, (3) enhanced treatment of common cause failures, and (4) extension of the ASP models to more closely mimic full-scale PRAs (inclusion of more initiators, explicitly modeling support system failures, etc.). This paper provides an overview of the methods being used to make the above improvements

  5. Methods improvements incorporated into the SAPHIRE ASP models

    International Nuclear Information System (INIS)

    Sattison, M.B.; Blackman, H.S.; Novack, S.D.

    1995-01-01

    The Office for Analysis and Evaluation of Operational Data (AEOD) has sought the assistance of the Idaho National Engineering Laboratory (INEL) to make some significant enhancements to the SAPHIRE-based Accident Sequence Precursor (ASP) models recently developed by the INEL. The challenge of this project is to provide the features of a full-scale PRA within the framework of the simplified ASP models. Some of these features include: (1) uncertainty analysis addressing the standard PRA uncertainties and the uncertainties unique to the ASP models and methods, (2) incorporation and proper quantification of individual human actions and the interaction among human actions, (3) enhanced treatment of common cause failures, and (4) extension of the ASP models to more closely mimic full-scale PRAs (inclusion of more initiators, explicitly modeling support system failures, etc.). This paper provides an overview of the methods being used to make the above improvements

  6. Incorporating model parameter uncertainty into inverse treatment planning

    International Nuclear Information System (INIS)

    Lian Jun; Xing Lei

    2004-01-01

    Radiobiological treatment planning depends not only on the accuracy of the models describing the dose-response relation of different tumors and normal tissues but also on the accuracy of tissue specific radiobiological parameters in these models. Whereas the general formalism remains the same, different sets of model parameters lead to different solutions and thus critically determine the final plan. Here we describe an inverse planning formalism with inclusion of model parameter uncertainties. This is made possible by using a statistical analysis-based frameset developed by our group. In this formalism, the uncertainties of model parameters, such as the parameter a that describes tissue-specific effect in the equivalent uniform dose (EUD) model, are expressed by probability density function and are included in the dose optimization process. We found that the final solution strongly depends on distribution functions of the model parameters. Considering that currently available models for computing biological effects of radiation are simplistic, and the clinical data used to derive the models are sparse and of questionable quality, the proposed technique provides us with an effective tool to minimize the effect caused by the uncertainties in a statistical sense. With the incorporation of the uncertainties, the technique has potential for us to maximally utilize the available radiobiology knowledge for better IMRT treatment

  7. Performance of structured lipids incorporating selected phenolic and ascorbic acids.

    Science.gov (United States)

    Gruczynska, Eliza; Przybylski, Roman; Aladedunye, Felix

    2015-04-15

    Conditions applied during frying require antioxidant which is stable at these conditions and provides protection for frying oil and fried food. Novel structured lipids containing nutraceuticals and antioxidants were formed by enzymatic transesterification, exploring canola oil and naturally occurring antioxidants such as ascorbic and selected phenolic acids as substrates. Lipozyme RM IM lipase from Rhizomucor miehei was used as biocatalyst. Frying performance and oxidative stability of the final transesterification products were evaluated. The novel lipids showed significantly improved frying performance compared to canola oil. Oxidative stability assessment of the structured lipids showed significant improvement in resistance to oxidative deterioration compared to original canola oil. Interestingly, the presence of ascorbic acid in an acylglycerol structure protected α-tocopherol against thermal degradation, which was not observed for the phenolic acids. Developed structured lipids containing nutraceuticals and antioxidants may directly affect nutritional properties of lipids also offering nutraceutical ingredients for food formulation. Copyright © 2014 Elsevier Ltd. All rights reserved.

  8. Incorporating Social Anxiety Into a Model of College Problem Drinking: Replication and Extension

    OpenAIRE

    Ham, Lindsay S.; Hope, Debra A.

    2006-01-01

    Although research has found an association between social anxiety and alcohol use in noncollege samples, results have been mixed for college samples. College students face many novel social situations in which they may drink to reduce social anxiety. In the current study, the authors tested a model of college problem drinking, incorporating social anxiety and related psychosocial variables among 228 undergraduate volunteers. According to structural equation modeling (SEM) results, social anxi...

  9. A mathematical model for incorporating biofeedback into human postural control

    Directory of Open Access Journals (Sweden)

    Ersal Tulga

    2013-02-01

    Full Text Available Abstract Background Biofeedback of body motion can serve as a balance aid and rehabilitation tool. To date, mathematical models considering the integration of biofeedback into postural control have represented this integration as a sensory addition and limited their application to a single degree-of-freedom representation of the body. This study has two objectives: 1 to develop a scalable method for incorporating biofeedback into postural control that is independent of the model’s degrees of freedom, how it handles sensory integration, and the modeling of its postural controller; and 2 to validate this new model using multidirectional perturbation experimental results. Methods Biofeedback was modeled as an additional torque to the postural controller torque. For validation, this biofeedback modeling approach was applied to a vibrotactile biofeedback device and incorporated into a two-link multibody model with full-state-feedback control that represents the dynamics of bipedal stance. Average response trajectories of body sway and center of pressure (COP to multidirectional surface perturbations of subjects with vestibular deficits were used for model parameterization and validation in multiple perturbation directions and for multiple display resolutions. The quality of fit was quantified using average error and cross-correlation values. Results The mean of the average errors across all tactor configurations and perturbations was 0.24° for body sway and 0.39 cm for COP. The mean of the cross-correlation value was 0.97 for both body sway and COP. Conclusions The biofeedback model developed in this study is capable of capturing experimental response trajectory shapes with low average errors and high cross-correlation values in both the anterior-posterior and medial-lateral directions for all perturbation directions and spatial resolution display configurations considered. The results validate that biofeedback can be modeled as an additional

  10. A mathematical model for incorporating biofeedback into human postural control

    Science.gov (United States)

    2013-01-01

    Background Biofeedback of body motion can serve as a balance aid and rehabilitation tool. To date, mathematical models considering the integration of biofeedback into postural control have represented this integration as a sensory addition and limited their application to a single degree-of-freedom representation of the body. This study has two objectives: 1) to develop a scalable method for incorporating biofeedback into postural control that is independent of the model’s degrees of freedom, how it handles sensory integration, and the modeling of its postural controller; and 2) to validate this new model using multidirectional perturbation experimental results. Methods Biofeedback was modeled as an additional torque to the postural controller torque. For validation, this biofeedback modeling approach was applied to a vibrotactile biofeedback device and incorporated into a two-link multibody model with full-state-feedback control that represents the dynamics of bipedal stance. Average response trajectories of body sway and center of pressure (COP) to multidirectional surface perturbations of subjects with vestibular deficits were used for model parameterization and validation in multiple perturbation directions and for multiple display resolutions. The quality of fit was quantified using average error and cross-correlation values. Results The mean of the average errors across all tactor configurations and perturbations was 0.24° for body sway and 0.39 cm for COP. The mean of the cross-correlation value was 0.97 for both body sway and COP. Conclusions The biofeedback model developed in this study is capable of capturing experimental response trajectory shapes with low average errors and high cross-correlation values in both the anterior-posterior and medial-lateral directions for all perturbation directions and spatial resolution display configurations considered. The results validate that biofeedback can be modeled as an additional torque to the postural

  11. Incorporating modelled subglacial hydrology into inversions for basal drag

    Directory of Open Access Journals (Sweden)

    C. P. Koziol

    2017-12-01

    Full Text Available A key challenge in modelling coupled ice-flow–subglacial hydrology is initializing the state and parameters of the system. We address this problem by presenting a workflow for initializing these values at the start of a summer melt season. The workflow depends on running a subglacial hydrology model for the winter season, when the system is not forced by meltwater inputs, and ice velocities can be assumed constant. Key parameters of the winter run of the subglacial hydrology model are determined from an initial inversion for basal drag using a linear sliding law. The state of the subglacial hydrology model at the end of winter is incorporated into an inversion of basal drag using a non-linear sliding law which is a function of water pressure. We demonstrate this procedure in the Russell Glacier area and compare the output of the linear sliding law with two non-linear sliding laws. Additionally, we compare the modelled winter hydrological state to radar observations and find that it is in line with summer rather than winter observations.

  12. Structural analysis of ceramic blocks sealing or structural incorporated with the industrial laundry sludge

    International Nuclear Information System (INIS)

    Almeida, P.H.S.; Grippe, V.Y.Q.; Goulart, J.V.

    2016-01-01

    Industrial and commercial development of recent decades has led to an increase in waste generation. Thus, it is necessary to develop alternative and effective methods of treatment, replacing the simple disposal of these wastes in landfills. The objective of this work is to study the incorporation of textile industrial laundries sludge in ceramic blocks sealing or structural. Samples of ceramic blocks were produced using formulation with 20% sludge, the mass of ceramic clay. Structural analysis of the block was observed the tendency of most empty emergence (pores) during the firing of the blocks, as textile sludge was added in the ceramic paste composition. The mechanical testing of blocks compressive strength was above the minimum 3.0 MPa specified by the standard limit. The physical test water absorption of the blocks was within the range 8 to 22% specified by the standard. (author)

  13. An electricity generation planning model incorporating demand response

    International Nuclear Information System (INIS)

    Choi, Dong Gu; Thomas, Valerie M.

    2012-01-01

    Energy policies that aim to reduce carbon emissions and change the mix of electricity generation sources, such as carbon cap-and-trade systems and renewable electricity standards, can affect not only the source of electricity generation, but also the price of electricity and, consequently, demand. We develop an optimization model to determine the lowest cost investment and operation plan for the generating capacity of an electric power system. The model incorporates demand response to price change. In a case study for a U.S. state, we show the price, demand, and generation mix implications of a renewable electricity standard, and of a carbon cap-and-trade policy with and without initial free allocation of carbon allowances. This study shows that both the demand moderating effects and the generation mix changing effects of the policies can be the sources of carbon emissions reductions, and also shows that the share of the sources could differ with different policy designs. The case study provides different results when demand elasticity is excluded, underscoring the importance of incorporating demand response in the evaluation of electricity generation policies. - Highlights: ► We develop an electric power system optimization model including demand elasticity. ► Both renewable electricity and carbon cap-and-trade policies can moderate demand. ► Both policies affect the generation mix, price, and demand for electricity. ► Moderated demand can be a significant source of carbon emission reduction. ► For cap-and-trade policies, initial free allowances change outcomes significantly.

  14. Experimental studies of the seismic response of structures incorporating base-isolation systems

    International Nuclear Information System (INIS)

    Kelly, J.M.; Aiken, I.D.

    1991-01-01

    This paper reviews some of the achievements of the Earthquake Engineering Research Center (EERC) at the University of California at Berkeley in the last few years. Component tests on single isolators are described. Tests on plain and high-damping natural-rubber bearings, lead-rubber bearings, sliding bearings, and bearings incorporating uplift resistance mechanisms have been performed. High-shear strain tests on large (up to full scale) elastomeric bearings have been conducted to determine the stability characteristics and limit states of the isolators. Performance evaluation studies using the earthquake simulator to test large-scale model isolated structures have been carried out for a variety of isolation systems and structures. Uplift studies of slender base-isolated buildings and investigation of the behavior of base-isolated skew bridge decks have been studied. This paper aims to highlight those areas where progress has been made. (orig./HP)

  15. Tantalum strength model incorporating temperature, strain rate and pressure

    Science.gov (United States)

    Lim, Hojun; Battaile, Corbett; Brown, Justin; Lane, Matt

    Tantalum is a body-centered-cubic (BCC) refractory metal that is widely used in many applications in high temperature, strain rate and pressure environments. In this work, we propose a physically-based strength model for tantalum that incorporates effects of temperature, strain rate and pressure. A constitutive model for single crystal tantalum is developed based on dislocation kink-pair theory, and calibrated to measurements on single crystal specimens. The model is then used to predict deformations of single- and polycrystalline tantalum. In addition, the proposed strength model is implemented into Sandia's ALEGRA solid dynamics code to predict plastic deformations of tantalum in engineering-scale applications at extreme conditions, e.g. Taylor impact tests and Z machine's high pressure ramp compression tests, and the results are compared with available experimental data. Sandia National Laboratories is a multi program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  16. Incorporation of chemical kinetic models into process control

    International Nuclear Information System (INIS)

    Herget, C.J.; Frazer, J.W.

    1981-01-01

    An important consideration in chemical process control is to determine the precise rationing of reactant streams, particularly when a large time delay exists between the mixing of the reactants and the measurement of the product. In this paper, a method is described for incorporating chemical kinetic models into the control strategy in order to achieve optimum operating conditions. The system is first characterized by determining a reaction rate surface as a function of all input reactant concentrations over a feasible range. A nonlinear constrained optimization program is then used to determine the combination of reactants which produces the specified yield at minimum cost. This operating condition is then used to establish the nominal concentrations of the reactants. The actual operation is determined through a feedback control system employing a Smith predictor. The method is demonstrated on a laboratory bench scale enzyme reactor

  17. Variable Fidelity Aeroelastic Toolkit - Structural Model, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed innovation is a methodology to incorporate variable fidelity structural models into steady and unsteady aeroelastic and aeroservoelastic analyses in...

  18. Incorporating Context Dependency of Species Interactions in Species Distribution Models.

    Science.gov (United States)

    Lany, Nina K; Zarnetske, Phoebe L; Gouhier, Tarik C; Menge, Bruce A

    2017-07-01

    Species distribution models typically use correlative approaches that characterize the species-environment relationship using occurrence or abundance data for a single species. However, species distributions are determined by both abiotic conditions and biotic interactions with other species in the community. Therefore, climate change is expected to impact species through direct effects on their physiology and indirect effects propagated through their resources, predators, competitors, or mutualists. Furthermore, the sign and strength of species interactions can change according to abiotic conditions, resulting in context-dependent species interactions that may change across space or with climate change. Here, we incorporated the context dependency of species interactions into a dynamic species distribution model. We developed a multi-species model that uses a time-series of observational survey data to evaluate how abiotic conditions and species interactions affect the dynamics of three rocky intertidal species. The model further distinguishes between the direct effects of abiotic conditions on abundance and the indirect effects propagated through interactions with other species. We apply the model to keystone predation by the sea star Pisaster ochraceus on the mussel Mytilus californianus and the barnacle Balanus glandula in the rocky intertidal zone of the Pacific coast, USA. Our method indicated that biotic interactions between P. ochraceus and B. glandula affected B. glandula dynamics across >1000 km of coastline. Consistent with patterns from keystone predation, the growth rate of B. glandula varied according to the abundance of P. ochraceus in the previous year. The data and the model did not indicate that the strength of keystone predation by P. ochraceus varied with a mean annual upwelling index. Balanus glandula cover increased following years with high phytoplankton abundance measured as mean annual chlorophyll-a. M. californianus exhibited the same

  19. Reformulation of Maxwell's equations to incorporate near-solute solvent structure.

    Science.gov (United States)

    Yang, Pei-Kun; Lim, Carmay

    2008-09-04

    Maxwell's equations, which treat electromagnetic interactions between macroscopic charged objects in materials, have explained many phenomena and contributed to many applications in our lives. Derived in 1861 when no methods were available to determine the atomic structure of macromolecules, Maxwell's equations assume the solvent to be a structureless continuum. However, near-solute solvent molecules are highly structured, unlike far-solute bulk solvent molecules. Current methods cannot treat both the near-solute solvent structure and time-dependent electromagnetic interactions in a macroscopic system. Here, we derive "microscopic" electrodynamics equations that can treat macroscopic time-dependent electromagnetic field problems like Maxwell's equations and reproduce the solvent molecular and dipole density distributions observed in molecular dynamics simulations. These equations greatly reduce computational expense by not having to include explicit solvent molecules, yet they treat the solvent electrostatic and van der Waals effects more accurately than continuum models. They provide a foundation to study electromagnetic interactions between molecules in a macroscopic system that are ubiquitous in biology, bioelectromagnetism, and nanotechnology. The general strategy presented herein to incorporate the near-solute solvent structure would enable studies on how complex cellular protein-ligand interactions are affected by electromagnetic radiation, which could help to prevent harmful electromagnetic spectra or find potential therapeutic applications.

  20. Dynamic term structure models

    DEFF Research Database (Denmark)

    Andreasen, Martin Møller; Meldrum, Andrew

    This paper studies whether dynamic term structure models for US nominal bond yields should enforce the zero lower bound by a quadratic policy rate or a shadow rate specification. We address the question by estimating quadratic term structure models (QTSMs) and shadow rate models with at most four...

  1. Structure and performance of polymer-derived bulk ceramics determined by method of filler incorporation

    Science.gov (United States)

    Konegger, T.; Schneider, P.; Bauer, V.; Amsüss, A.; Liersch, A.

    2013-12-01

    The effect of four distinct methods of incorporating fillers into a preceramic polymer matrix was investigated with respect to the structural and mechanical properties of the resulting materials. Investigations were conducted with a polysiloxane/Al2O3/ZrO2 model system used as a precursor for mullite/ZrO2 composites. A quantitative evaluation of the uniformity of filler distribution was obtained by employing a novel image analysis. While solvent-free mixing led to a heterogeneous distribution of constituents resulting in limited mechanical property values, a strong improvement of material homogeneity and properties was obtained by using solvent-assisted methods. The results demonstrate the importance of the processing route on final characteristics of polymer-derived ceramics.

  2. Model for Volatile Incorporation into Soils and Dust on Mars

    Science.gov (United States)

    Clark, B. C.; Yen, A.

    2006-12-01

    Martian soils with high content of compounds of sulfur and chlorine are ubiquitous on Mars, having been found at all five landing sites. Sulfate and chloride salts are implicated by a variety of evidence, but few conclusive specific identifications have been made. Discovery of jarosite and Mg-Ca sulfates in outcrops at Meridiani Planum (MER mission) and regional-scale beds of kieserite and gypsum (Mars Express mission) notwithstanding, the sulfates in soils are uncertain. Chlorides or other Cl-containing minerals have not been uniquely identified directly by any method. Viking and Pathfinder missions found trends in the elemental analytical data consistent with MgSO4, but Viking results are biased by duricrust samples and Pathfinder by soil contamination of rock surfaces. The Mars Exploration Rovers (MER) missions have taken extensive data on soils with no confirmation of trends implicating any particular cation. In our model of martian dust and soil, the S and Cl are initially incorporated by condensation or chemisorption on grains directly from gas phase molecules in the atmosphere. It is shown by modeling that the coatings thus formed cannot quantitatively explain the apparent elemental composition of these materials, and therefore involve the migration of ions and formation of microscopic weathering rinds. Original cation inventories of unweathered particles are isochemically conserved. Exposed rock surfaces should also have micro rinds, depending upon the length of time of exposure. Martian soils may therefore have unusual chemical properties when interacting with aqueous layers or infused fluids. Potential ramifications to the quantitative accuracy of x-ray fluorescence and Moessbauer spectroscopy on unprocessed samples are also assessed.

  3. Making a difference: incorporating theories of autonomy into models of informed consent.

    Science.gov (United States)

    Delany, C

    2008-09-01

    Obtaining patients' informed consent is an ethical and legal obligation in healthcare practice. Whilst the law provides prescriptive rules and guidelines, ethical theories of autonomy provide moral foundations. Models of practice of consent, have been developed in the bioethical literature to assist in understanding and integrating the ethical theory of autonomy and legal obligations into the clinical process of obtaining a patient's informed consent to treatment. To review four models of consent and analyse the way each model incorporates the ethical meaning of autonomy and how, as a consequence, they might change the actual communicative process of obtaining informed consent within clinical contexts. An iceberg framework of consent is used to conceptualise how ethical theories of autonomy are positioned and underpin the above surface, and visible clinical communication, including associated legal guidelines and ethical rules. Each model of consent is critically reviewed from the perspective of how it might shape the process of informed consent. All four models would alter the process of obtaining consent. Two models provide structure and guidelines for the content and timing of obtaining patients' consent. The two other models rely on an attitudinal shift in clinicians. They provide ideas for consent by focusing on underlying values, attitudes and meaning associated with the ethical meaning of autonomy. The paper concludes that models of practice that explicitly incorporate the underlying ethical meaning of autonomy as their basis, provide less prescriptive, but more theoretically rich guidance for healthcare communicative practices.

  4. Incorporation of new tables into the preliminary structure of BDCN - nuclear fuel data base

    International Nuclear Information System (INIS)

    Pombo, J.B.S.; Andrade, M.C.

    1989-01-01

    The structure of the new tables related to fuel elements, fuel rods and fuel pellets have been incorporated into the developing structure of BDCN - nuclear fuel data base, are described. The list of all 44 tables structured up to now, with identification of its primary keys, as well as the reduced set of data has been entered to run the simulations are also presented. The simulation tests have been ran using a microcomputer.(M.I.)

  5. Incorporating spatial autocorrelation into species distribution models alters forecasts of climate-mediated range shifts.

    Science.gov (United States)

    Crase, Beth; Liedloff, Adam; Vesk, Peter A; Fukuda, Yusuke; Wintle, Brendan A

    2014-08-01

    Species distribution models (SDMs) are widely used to forecast changes in the spatial distributions of species and communities in response to climate change. However, spatial autocorrelation (SA) is rarely accounted for in these models, despite its ubiquity in broad-scale ecological data. While spatial autocorrelation in model residuals is known to result in biased parameter estimates and the inflation of type I errors, the influence of unmodeled SA on species' range forecasts is poorly understood. Here we quantify how accounting for SA in SDMs influences the magnitude of range shift forecasts produced by SDMs for multiple climate change scenarios. SDMs were fitted to simulated data with a known autocorrelation structure, and to field observations of three mangrove communities from northern Australia displaying strong spatial autocorrelation. Three modeling approaches were implemented: environment-only models (most frequently applied in species' range forecasts), and two approaches that incorporate SA; autologistic models and residuals autocovariate (RAC) models. Differences in forecasts among modeling approaches and climate scenarios were quantified. While all model predictions at the current time closely matched that of the actual current distribution of the mangrove communities, under the climate change scenarios environment-only models forecast substantially greater range shifts than models incorporating SA. Furthermore, the magnitude of these differences intensified with increasing increments of climate change across the scenarios. When models do not account for SA, forecasts of species' range shifts indicate more extreme impacts of climate change, compared to models that explicitly account for SA. Therefore, where biological or population processes induce substantial autocorrelation in the distribution of organisms, and this is not modeled, model predictions will be inaccurate. These results have global importance for conservation efforts as inaccurate

  6. Incorporating grassland management in a global vegetation model

    Science.gov (United States)

    Chang, Jinfeng; Viovy, Nicolas; Vuichard, Nicolas; Ciais, Philippe; Wang, Tao; Cozic, Anne; Lardy, Romain; Graux, Anne-Isabelle; Klumpp, Katja; Martin, Raphael; Soussana, Jean-François

    2013-04-01

    Grassland is a widespread vegetation type, covering nearly one-fifth of the world's land surface (24 million km2), and playing a significant role in the global carbon (C) cycle. Most of grasslands in Europe are cultivated to feed animals, either directly by grazing or indirectly by grass harvest (cutting). A better understanding of the C fluxes from grassland ecosystems in response to climate and management requires not only field experiments but also the aid of simulation models. ORCHIDEE process-based ecosystem model designed for large-scale applications treats grasslands as being unmanaged, where C / water fluxes are only subject to atmospheric CO2 and climate changes. Our study describes how management of grasslands is included in the ORCHIDEE, and how management affects modeled grassland-atmosphere CO2 fluxes. The new model, ORCHIDEE-GM (Grassland Management) is capable with a management module inspired from a grassland model (PaSim, version 5.0), of accounting for two grassland management practices (cutting and grazing). The evaluation of the results of ORCHIDEE-GM compared with those of ORCHIDEE at 11 European sites equipped with eddy covariance and biometric measurements, show that ORCHIDEE-GM can capture realistically the cut-induced seasonal variation in biometric variables (LAI: Leaf Area Index; AGB: Aboveground Biomass) and in CO2 fluxes (GPP: Gross Primary Productivity; TER: Total Ecosystem Respiration; and NEE: Net Ecosystem Exchange). But improvements at grazing sites are only marginal in ORCHIDEE-GM, which relates to the difficulty in accounting for continuous grazing disturbance and its induced complex animal-vegetation interactions. Both NEE and GPP on monthly to annual timescales can be better simulated in ORCHIDEE-GM than in ORCHIDEE without management. At some sites, the model-observation misfit in ORCHIDEE-GM is found to be more related to ill-constrained parameter values than to model structure. Additionally, ORCHIDEE-GM is able to simulate

  7. Chemical composition, crystal size and lattice structural changes after incorporation of strontium into biomimetic apatite.

    Science.gov (United States)

    Li, Z Y; Lam, W M; Yang, C; Xu, B; Ni, G X; Abbah, S A; Cheung, K M C; Luk, K D K; Lu, W W

    2007-03-01

    Recently, strontium (Sr) as ranelate compound has become increasingly popular in the treatment of osteoporosis. However, the lattice structure of bone crystal after Sr incorporation is yet to be extensively reported. In this study, we synthesized strontium-substituted hydroxyapatite (Sr-HA) with different Sr content (0.3%, 1.5% and 15% Sr-HA in mole ratio) to simulate bone crystals incorporated with Sr. The changes in chemical composition and lattice structure of apetite after synthetic incorporation of Sr were evaluated to gain insight into bone crystal changes after incorporation of Sr. X-ray diffraction (XRD) patterns revealed that 0.3% and 1.5% Sr-HA exhibited single phase spectrum, which was similar to that of HA. However, 15% Sr-HA induced the incorporation of HPO4(2-) and more CO3(2-), the crystallinity reduced dramatically. Transmission electron microscopy (TEM) images showed that the crystal length and width of 0.3% and 1.5% Sr-HA increased slightly. Meanwhile, the length and width distribution were broadened and the aspect ratio decreased from 10.68+/-4.00 to 7.28+/-2.80. The crystal size and crystallinity of 15% Sr-HA dropped rapidly, which may suggest that the fundamental crystal structure is changed. The findings from this work indicate that current clinical dosage which usually results in Sr incorporation of below 1.5% may not change chemical composition and lattice structure of bone, while it will broaden the bone crystal size distribution and strengthen the bone.

  8. Metallic glasses: structural models

    International Nuclear Information System (INIS)

    Nassif, E.

    1984-01-01

    The aim of this work is to give a summary of the attempts made up to the present in order to discribe by structural models the atomic arrangement in metallic glasses, showing also why the structure factors and atomic distribution functions cannot be always experimentally determined with a reasonable accuracy. (M.W.O.) [pt

  9. Structural Equation Model Trees

    Science.gov (United States)

    Brandmaier, Andreas M.; von Oertzen, Timo; McArdle, John J.; Lindenberger, Ulman

    2013-01-01

    In the behavioral and social sciences, structural equation models (SEMs) have become widely accepted as a modeling tool for the relation between latent and observed variables. SEMs can be seen as a unification of several multivariate analysis techniques. SEM Trees combine the strengths of SEMs and the decision tree paradigm by building tree…

  10. Affordances perspective and grammaticalization: Incorporation of language, environment and users in the model of semantic paths

    Directory of Open Access Journals (Sweden)

    Alexander Andrason

    2015-12-01

    Full Text Available The present paper demonstrates that insights from the affordances perspective can contribute to developing a more comprehensive model of grammaticalization. The authors argue that the grammaticalization process is afforded differently depending on the values of three contributing parameters: the factor (schematized as a qualitative-quantitative map or a wave of a gram, environment (understood as the structure of the stream along which the gram travels, and actor (narrowed to certain cognitive-epistemological capacities of the users, in particular to the fact of being a native speaker. By relating grammaticalization to these three parameters and by connecting it to the theory of optimization, the proposed model offers a better approximation to realistic cases of grammaticalization: The actor and environment are overtly incorporated into the model and divergences from canonical grammaticalization paths are both tolerated and explicable.

  11. Incorporating networks in a probabilistic graphical model to find drivers for complex human diseases.

    Science.gov (United States)

    Mezlini, Aziz M; Goldenberg, Anna

    2017-10-01

    Discovering genetic mechanisms driving complex diseases is a hard problem. Existing methods often lack power to identify the set of responsible genes. Protein-protein interaction networks have been shown to boost power when detecting gene-disease associations. We introduce a Bayesian framework, Conflux, to find disease associated genes from exome sequencing data using networks as a prior. There are two main advantages to using networks within a probabilistic graphical model. First, networks are noisy and incomplete, a substantial impediment to gene discovery. Incorporating networks into the structure of a probabilistic models for gene inference has less impact on the solution than relying on the noisy network structure directly. Second, using a Bayesian framework we can keep track of the uncertainty of each gene being associated with the phenotype rather than returning a fixed list of genes. We first show that using networks clearly improves gene detection compared to individual gene testing. We then show consistently improved performance of Conflux compared to the state-of-the-art diffusion network-based method Hotnet2 and a variety of other network and variant aggregation methods, using randomly generated and literature-reported gene sets. We test Hotnet2 and Conflux on several network configurations to reveal biases and patterns of false positives and false negatives in each case. Our experiments show that our novel Bayesian framework Conflux incorporates many of the advantages of the current state-of-the-art methods, while offering more flexibility and improved power in many gene-disease association scenarios.

  12. Experimental studies of the seismic response of structures incorporating base isolation systems

    International Nuclear Information System (INIS)

    Kelly, J.M.; Aiken, I.D.

    1989-01-01

    Whereas the concept of base isolating structures from the damaging effects of earthquake motions is not new, implementation of the technique is a relatively new occurrence. This has mainly been due to the need for several important developments in materials science and experimental and analytical modeling before base isolation could evolve into a practical approach for seismic design. One of these developments has been the ability to test large-scale isolation systems using simulated seismic loads. These tests have not only proven the performance and reliability of the isolation systems and hardware, but have enabled correlation studies to be undertaken which have confirmed the accuracy of analytical methods and the acceptability of current design procedures. The Earthquake Engineering Research Center (EERC) at the University of California at Berkeley has been an active participant in this work, and this paper reviews some of the achievements of the Center in the last few years. Component tests on single isolators are described. Tests on plain and high damping natural rubber bearings, lead-rubber bearings, sliding bearings, and bearings incorporating uplift resistance mechanisms have been performed. High-shear strain tests on large (up to full scale) elastomeric bearings have been conducted to determine the stability characteristics and limit states of the isolators

  13. Structural and functional characterization of Rpn12 identifies residues required for Rpn10 proteasome incorporation.

    Science.gov (United States)

    Boehringer, Jonas; Riedinger, Christiane; Paraskevopoulos, Konstantinos; Johnson, Eachan O D; Lowe, Edward D; Khoudian, Christina; Smith, Dominique; Noble, Martin E M; Gordon, Colin; Endicott, Jane A

    2012-11-15

    The ubiquitin-proteasome system targets selected proteins for degradation by the 26S proteasome. Rpn12 is an essential component of the 19S regulatory particle and plays a role in recruiting the extrinsic ubiquitin receptor Rpn10. In the present paper we report the crystal structure of Rpn12, a proteasomal PCI-domain-containing protein. The structure helps to define a core structural motif for the PCI domain and identifies potential sites through which Rpn12 might form protein-protein interactions. We demonstrate that mutating residues at one of these sites impairs Rpn12 binding to Rpn10 in vitro and reduces Rpn10 incorporation into proteasomes in vivo.

  14. 75 FR 20265 - Airworthiness Directives; Liberty Aerospace Incorporated Model XL-2 Airplanes

    Science.gov (United States)

    2010-04-19

    ... Office, 1701 Columbia Avenue, College Park, Georgia 30337; telephone: (404) 474-5524; facsimile: (404... Airworthiness Directives; Liberty Aerospace Incorporated Model XL-2 Airplanes AGENCY: Federal Aviation...-08- 05, which applies to certain Liberty Aerospace Incorporated Model XL-2 airplanes. AD 2009-08-05...

  15. Loss given default models incorporating macroeconomic variables for credit cards

    OpenAIRE

    Crook, J.; Bellotti, T.

    2012-01-01

    Based on UK data for major retail credit cards, we build several models of Loss Given Default based on account level data, including Tobit, a decision tree model, a Beta and fractional logit transformation. We find that Ordinary Least Squares models with macroeconomic variables perform best for forecasting Loss Given Default at the account and portfolio levels on independent hold-out data sets. The inclusion of macroeconomic conditions in the model is important, since it provides a means to m...

  16. Structure functions in the chiral bag model

    International Nuclear Information System (INIS)

    Sanjose, V.; Vento, V.; Centro Mixto CSIC/Valencia Univ., Valencia

    1989-01-01

    We calculate the structure functions of an isoscalar nuclear target for the deep inelastic scattering by leptons in an extended version of the chiral bag model which incorporates the qanti q structure of the pions in the cloud. Bjorken scaling and Regge behavior are satisfied. The model calculation reproduces the low-x behavior of the data but fails to explain the medium- to large-x behavior. Evolution of the quark structure functions seem inevitable to attempt a connection between the low-energy models and the high-energy behavior of quantum chromodynamics. (orig.)

  17. Structure functions in the chiral bag model

    Energy Technology Data Exchange (ETDEWEB)

    Sanjose, V.; Vento, V.

    1989-07-13

    We calculate the structure functions of an isoscalar nuclear target for the deep inelastic scattering by leptons in an extended version of the chiral bag model which incorporates the qanti q structure of the pions in the cloud. Bjorken scaling and Regge behavior are satisfied. The model calculation reproduces the low-x behavior of the data but fails to explain the medium- to large-x behavior. Evolution of the quark structure functions seem inevitable to attempt a connection between the low-energy models and the high-energy behavior of quantum chromodynamics. (orig.).

  18. The Incorporation of Ribonucleotides Induces Structural and Conformational Changes in DNA.

    Science.gov (United States)

    Meroni, Alice; Mentegari, Elisa; Crespan, Emmanuele; Muzi-Falconi, Marco; Lazzaro, Federico; Podestà, Alessandro

    2017-10-03

    Ribonucleotide incorporation is the most common error occurring during DNA replication. Cells have hence developed mechanisms to remove ribonucleotides from the genome and restore its integrity. Indeed, the persistence of ribonucleotides into DNA leads to severe consequences, such as genome instability and replication stress. Thus, it becomes important to understand the effects of ribonucleotides incorporation, starting from their impact on DNA structure and conformation. Here we present a systematic study of the effects of ribonucleotide incorporation into DNA molecules. We have developed, to our knowledge, a new method to efficiently synthesize long DNA molecules (hundreds of basepairs) containing ribonucleotides, which is based on a modified protocol for the polymerase chain reaction. By means of atomic force microscopy, we could therefore investigate the changes, upon ribonucleotide incorporation, of the structural and conformational properties of numerous DNA populations at the single-molecule level. Specifically, we characterized the scaling of the contour length with the number of basepairs and the scaling of the end-to-end distance with the curvilinear distance, the bending angle distribution, and the persistence length. Our results revealed that ribonucleotides affect DNA structure and conformation on scales that go well beyond the typical dimension of the single ribonucleotide. In particular, the presence of ribonucleotides induces a systematic shortening of the molecules, together with a decrease of the persistence length. Such structural changes are also likely to occur in vivo, where they could directly affect the downstream DNA transactions, as well as interfere with protein binding and recognition. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  19. Incorporating Contagion in Portfolio Credit Risk Models Using Network Theory

    NARCIS (Netherlands)

    Anagnostou, I.; Sourabh, S.; Kandhai, D.

    2018-01-01

    Portfolio credit risk models estimate the range of potential losses due to defaults or deteriorations in credit quality. Most of these models perceive default correlation as fully captured by the dependence on a set of common underlying risk factors. In light of empirical evidence, the ability of

  20. Sparse regularization for EIT reconstruction incorporating structural information derived from medical imaging.

    Science.gov (United States)

    Gong, Bo; Schullcke, Benjamin; Krueger-Ziolek, Sabine; Mueller-Lisse, Ullrich; Moeller, Knut

    2016-06-01

    Electrical impedance tomography (EIT) reconstructs the conductivity distribution of a domain using electrical data on its boundary. This is an ill-posed inverse problem usually solved on a finite element mesh. For this article, a special regularization method incorporating structural information of the targeted domain is proposed and evaluated. Structural information was obtained either from computed tomography images or from preliminary EIT reconstructions by a modified k-means clustering. The proposed regularization method integrates this structural information into the reconstruction as a soft constraint preferring sparsity in group level. A first evaluation with Monte Carlo simulations indicated that the proposed solver is more robust to noise and the resulting images show fewer artifacts. This finding is supported by real data analysis. The structure based regularization has the potential to balance structural a priori information with data driven reconstruction. It is robust to noise, reduces artifacts and produces images that reflect anatomy and are thus easier to interpret for physicians.

  1. Energy system investment model incorporating heat pumps with thermal storage in buildings and buffer tanks

    International Nuclear Information System (INIS)

    Hedegaard, Karsten; Balyk, Olexandr

    2013-01-01

    Individual compression heat pumps constitute a potentially valuable resource in supporting wind power integration due to their economic competitiveness and possibilities for flexible operation. When analysing the system benefits of flexible heat pump operation, effects on investments should be taken into account. In this study, we present a model that facilitates analysing individual heat pumps and complementing heat storages in integration with the energy system, while optimising both investments and operation. The model incorporates thermal building dynamics and covers various heat storage options: passive heat storage in the building structure via radiator heating, active heat storage in concrete floors via floor heating, and use of thermal storage tanks for space heating and hot water. It is shown that the model is well qualified for analysing possibilities and system benefits of operating heat pumps flexibly. This includes prioritising heat pump operation for hours with low marginal electricity production costs, and peak load shaving resulting in a reduced need for peak and reserve capacity investments. - Highlights: • Model optimising heat pumps and heat storages in integration with the energy system. • Optimisation of both energy system investments and operation. • Heat storage in building structure and thermal storage tanks included. • Model well qualified for analysing system benefits of flexible heat pump operation. • Covers peak load shaving and operation prioritised for low electricity prices

  2. Incorporating measurement error in n = 1 psychological autoregressive modeling

    Science.gov (United States)

    Schuurman, Noémi K.; Houtveen, Jan H.; Hamaker, Ellen L.

    2015-01-01

    Measurement error is omnipresent in psychological data. However, the vast majority of applications of autoregressive time series analyses in psychology do not take measurement error into account. Disregarding measurement error when it is present in the data results in a bias of the autoregressive parameters. We discuss two models that take measurement error into account: An autoregressive model with a white noise term (AR+WN), and an autoregressive moving average (ARMA) model. In a simulation study we compare the parameter recovery performance of these models, and compare this performance for both a Bayesian and frequentist approach. We find that overall, the AR+WN model performs better. Furthermore, we find that for realistic (i.e., small) sample sizes, psychological research would benefit from a Bayesian approach in fitting these models. Finally, we illustrate the effect of disregarding measurement error in an AR(1) model by means of an empirical application on mood data in women. We find that, depending on the person, approximately 30–50% of the total variance was due to measurement error, and that disregarding this measurement error results in a substantial underestimation of the autoregressive parameters. PMID:26283988

  3. A statistical model for aggregating judgments by incorporating peer predictions

    OpenAIRE

    McCoy, John; Prelec, Drazen

    2017-01-01

    We propose a probabilistic model to aggregate the answers of respondents answering multiple-choice questions. The model does not assume that everyone has access to the same information, and so does not assume that the consensus answer is correct. Instead, it infers the most probable world state, even if only a minority vote for it. Each respondent is modeled as receiving a signal contingent on the actual world state, and as using this signal to both determine their own answer and predict the ...

  4. Markov modulated Poisson process models incorporating covariates for rainfall intensity.

    Science.gov (United States)

    Thayakaran, R; Ramesh, N I

    2013-01-01

    Time series of rainfall bucket tip times at the Beaufort Park station, Bracknell, in the UK are modelled by a class of Markov modulated Poisson processes (MMPP) which may be thought of as a generalization of the Poisson process. Our main focus in this paper is to investigate the effects of including covariate information into the MMPP model framework on statistical properties. In particular, we look at three types of time-varying covariates namely temperature, sea level pressure, and relative humidity that are thought to be affecting the rainfall arrival process. Maximum likelihood estimation is used to obtain the parameter estimates, and likelihood ratio tests are employed in model comparison. Simulated data from the fitted model are used to make statistical inferences about the accumulated rainfall in the discrete time interval. Variability of the daily Poisson arrival rates is studied.

  5. Incorporating Responsiveness to Marketing Efforts in Brand Choice Modeling

    Directory of Open Access Journals (Sweden)

    Dennis Fok

    2014-02-01

    Full Text Available We put forward a brand choice model with unobserved heterogeneity that concerns responsiveness to marketing efforts. We introduce two latent segments of households. The first segment is assumed to respond to marketing efforts, while households in the second segment do not do so. Whether a specific household is a member of the first or the second segment at a specific purchase occasion is described by household-specific characteristics and characteristics concerning buying behavior. Households may switch between the two responsiveness states over time. When comparing the performance of our model with alternative choice models that account for various forms of heterogeneity for three different datasets, we find better face validity for our parameters. Our model also forecasts better.

  6. Benefits of incorporating spatial organisation of catchments for a semi-distributed hydrological model

    Science.gov (United States)

    Schumann, Andreas; Oppel, Henning

    2017-04-01

    To represent the hydrological behaviour of catchments a model should reproduce/reflect the hydrologically most relevant catchment characteristics. These are heterogeneously distributed within a watershed but often interrelated and subject of a certain spatial organisation. Since common models are mostly based on fundamental assumptions about hydrological processes, the reduction of variance of catchment properties as well as the incorporation of the spatial organisation of the catchment is desirable. We have developed a method that combines the idea of the width-function used for determination of the geomorphologic unit hydrograph with information about soil or topography. With this method we are able to assess the spatial organisation of selected catchment characteristics. An algorithm was developed that structures a watershed into sub-basins and other spatial units to minimise its heterogeneity. The outcomes of this algorithm are used for the spatial setup of a semi-distributed model. Since the spatial organisation of a catchment is not bound to a single characteristic, we have to embed information of multiple catchment properties. For this purpose we applied a fuzzy-based method to combine the spatial setup for multiple single characteristics into a union, optimal spatial differentiation. Utilizing this method, we are able to propose a spatial structure for a semi-distributed hydrological model, comprising the definition of sub-basins and a zonal classification within each sub-basin. Besides the improved spatial structuring, the performed analysis ameliorates modelling in another way. The spatial variability of catchment characteristics, which is considered by a minimum of heterogeneity in the zones, can be considered in a parameter constrained calibration scheme in a case study both options were used to explore the benefits of incorporating the spatial organisation and derived parameter constraints for the parametrisation of a HBV-96 model. We use two benchmark

  7. A constitutive mechanical model for gas hydrate bearing sediments incorporating inelastic mechanisms

    KAUST Repository

    Sánchez, Marcelo

    2016-11-30

    Gas hydrate bearing sediments (HBS) are natural soils formed in permafrost and sub-marine settings where the temperature and pressure conditions are such that gas hydrates are stable. If these conditions shift from the hydrate stability zone, hydrates dissociate and move from the solid to the gas phase. Hydrate dissociation is accompanied by significant changes in sediment structure and strongly affects its mechanical behavior (e.g., sediment stiffenss, strength and dilatancy). The mechanical behavior of HBS is very complex and its modeling poses great challenges. This paper presents a new geomechanical model for hydrate bearing sediments. The model incorporates the concept of partition stress, plus a number of inelastic mechanisms proposed to capture the complex behavior of this type of soil. This constitutive model is especially well suited to simulate the behavior of HBS upon dissociation. The model was applied and validated against experimental data from triaxial and oedometric tests conducted on manufactured and natural specimens involving different hydrate saturation, hydrate morphology, and confinement conditions. Particular attention was paid to model the HBS behavior during hydrate dissociation under loading. The model performance was highly satisfactory in all the cases studied. It managed to properly capture the main features of HBS mechanical behavior and it also assisted to interpret the behavior of this type of sediment under different loading and hydrate conditions.

  8. Modeling returns volatility: Realized GARCH incorporating realized risk measure

    Science.gov (United States)

    Jiang, Wei; Ruan, Qingsong; Li, Jianfeng; Li, Ye

    2018-06-01

    This study applies realized GARCH models by introducing several risk measures of intraday returns into the measurement equation, to model the daily volatility of E-mini S&P 500 index futures returns. Besides using the conventional realized measures, realized volatility and realized kernel as our benchmarks, we also use generalized realized risk measures, realized absolute deviation, and two realized tail risk measures, realized value-at-risk and realized expected shortfall. The empirical results show that realized GARCH models using the generalized realized risk measures provide better volatility estimation for the in-sample and substantial improvement in volatility forecasting for the out-of-sample. In particular, the realized expected shortfall performs best for all of the alternative realized measures. Our empirical results reveal that future volatility may be more attributable to present losses (risk measures). The results are robust to different sample estimation windows.

  9. Incorporating pushing in exclusion-process models of cell migration.

    Science.gov (United States)

    Yates, Christian A; Parker, Andrew; Baker, Ruth E

    2015-05-01

    The macroscale movement behavior of a wide range of isolated migrating cells has been well characterized experimentally. Recently, attention has turned to understanding the behavior of cells in crowded environments. In such scenarios it is possible for cells to interact, inducing neighboring cells to move in order to make room for their own movements or progeny. Although the behavior of interacting cells has been modeled extensively through volume-exclusion processes, few models, thus far, have explicitly accounted for the ability of cells to actively displace each other in order to create space for themselves. In this work we consider both on- and off-lattice volume-exclusion position-jump processes in which cells are explicitly allowed to induce movements in their near neighbors in order to create space for themselves to move or proliferate into. We refer to this behavior as pushing. From these simple individual-level representations we derive continuum partial differential equations for the average occupancy of the domain. We find that, for limited amounts of pushing, comparison between the averaged individual-level simulations and the population-level model is nearly as good as in the scenario without pushing. Interestingly, we find that, in the on-lattice case, the diffusion coefficient of the population-level model is increased by pushing, whereas, for the particular off-lattice model that we investigate, the diffusion coefficient is reduced. We conclude, therefore, that it is important to consider carefully the appropriate individual-level model to use when representing complex cell-cell interactions such as pushing.

  10. Incorporating spiritual beliefs into a cognitive model of worry.

    Science.gov (United States)

    Rosmarin, David H; Pirutinsky, Steven; Auerbach, Randy P; Björgvinsson, Thröstur; Bigda-Peyton, Joseph; Andersson, Gerhard; Pargament, Kenneth I; Krumrei, Elizabeth J

    2011-07-01

    Cognitive theory and research have traditionally highlighted the relevance of the core beliefs about oneself, the world, and the future to human emotions. For some individuals, however, core beliefs may also explicitly involve spiritual themes. In this article, we propose a cognitive model of worry, in which positive/negative beliefs about the Divine affect symptoms through the mechanism of intolerance of uncertainty. Using mediation analyses, we found support for our model across two studies, in particular, with regards to negative spiritual beliefs. These findings highlight the importance of assessing for spiritual alongside secular convictions when creating cognitive-behavioral case formulations in the treatment of religious individuals. © 2011 Wiley Periodicals, Inc.

  11. Modelling toluene oxidation : Incorporation of mass transfer phenomena

    NARCIS (Netherlands)

    Hoorn, J.A.A.; van Soolingen, J.; Versteeg, G. F.

    The kinetics of the oxidation of toluene have been studied in close interaction with the gas-liquid mass transfer occurring in the reactor. Kinetic parameters for a simple model have been estimated on basis of experimental observations performed under industrial conditions. The conclusions for the

  12. Incorporating pion effects into the naive quark model

    International Nuclear Information System (INIS)

    Nogami, Y.; Ohtuska, N.

    1982-01-01

    A hybrid of the naive nonrelativistic quark model and the Chew-Low model is proposed. The pion is treated as an elementary particle which interacts with the ''bare baryon'' or ''baryon core'' via the Chew-Low interaction. The baryon core, which is the source of the pion interaction, is described by the naive nonrelativistic quark model. It turns out that the baryon-core radius has to be as large as 0.8 fm, and consequently the cutoff momentum Λ for the pion interaction is < or approx. =3m/sub π/, m/sub π/ being the pion mass. Because of this small Λ (as compared with Λapprox. nucleon mass in the old Chew-Low model) the effects of the pion cloud are strongly suppressed. The baryon masses, baryon magnetic moments, and the nucleon charge radii can be reproduced quite well. However, we found it singularly difficult to fit the axial-vector weak decay constant g/sub A/

  13. Do Knowledge-Component Models Need to Incorporate Representational Competencies?

    Science.gov (United States)

    Rau, Martina Angela

    2017-01-01

    Traditional knowledge-component models describe students' content knowledge (e.g., their ability to carry out problem-solving procedures or their ability to reason about a concept). In many STEM domains, instruction uses multiple visual representations such as graphs, figures, and diagrams. The use of visual representations implies a…

  14. Making Invasion models useful for decision makers; incorporating uncertainty, knowledge gaps, and decision-making preferences

    Science.gov (United States)

    Denys Yemshanov; Frank H Koch; Mark Ducey

    2015-01-01

    Uncertainty is inherent in model-based forecasts of ecological invasions. In this chapter, we explore how the perceptions of that uncertainty can be incorporated into the pest risk assessment process. Uncertainty changes a decision maker’s perceptions of risk; therefore, the direct incorporation of uncertainty may provide a more appropriate depiction of risk. Our...

  15. Workforce scheduling: A new model incorporating human factors

    Directory of Open Access Journals (Sweden)

    Mohammed Othman

    2012-12-01

    Full Text Available Purpose: The majority of a company’s improvement comes when the right workers with the right skills, behaviors and capacities are deployed appropriately throughout a company. This paper considers a workforce scheduling model including human aspects such as skills, training, workers’ personalities, workers’ breaks and workers’ fatigue and recovery levels. This model helps to minimize the hiring, firing, training and overtime costs, minimize the number of fired workers with high performance, minimize the break time and minimize the average worker’s fatigue level.Design/methodology/approach: To achieve this objective, a multi objective mixed integer programming model is developed to determine the amount of hiring, firing, training and overtime for each worker type.Findings: The results indicate that the worker differences should be considered in workforce scheduling to generate realistic plans with minimum costs. This paper also investigates the effects of human fatigue and recovery on the performance of the production systems.Research limitations/implications: In this research, there are some assumptions that might affect the accuracy of the model such as the assumption of certainty of the demand in each period, and the linearity function of Fatigue accumulation and recovery curves. These assumptions can be relaxed in future work.Originality/value: In this research, a new model for integrating workers’ differences with workforce scheduling is proposed. To the authors' knowledge, it is the first time to study the effects of different important human factors such as human personality, skills and fatigue and recovery in the workforce scheduling process. This research shows that considering both technical and human factors together can reduce the costs in manufacturing systems and ensure the safety of the workers.

  16. Influence of aluminium incorporation on the structure of ZrN films deposited at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Araiza, J J [Unidad Academica de Fisica, Universidad Autonoma de Zacatecas, Paseo a la Bufa esq, Calzada Solidaridad s/n 98060, Zacatecas (Mexico); Sanchez, O [Departamento de Fisica e Ingenieria de Superficies, Instituto de Ciencia de Materiales de Madrid-CSIC, C/ Sor Juana Ines de la Cruz 3, 28049 Cantoblanco, Madrid (Spain)], E-mail: olgas@icmm.csic.es

    2009-06-07

    We have studied the influence of Al incorporation in the crystalline structure of ZrN thin films deposited by dc magnetron sputtering at low temperature. The amount of aluminium in the films depends directly on the power applied to the aluminium cathode during the deposition. Energy dispersive x-ray analysis and x-ray diffraction (XRD) were used to obtain the chemical composition and crystalline structure of the films, respectively. When Al atoms are incorporated into the ZrN coatings, the strong ZrN (2 0 0) orientation is modified by a combination of other ones such as ZrN (1 1 1), Zr{sub 3}N{sub 4} (2 1 1) and hexagonal AlN (1 0 0) as detected from the XRD spectra for high aluminium concentrations. Fourier-transform infrared spectroscopy allowed us to identify oxides and nitrides, ZrO, AlO and AlN, incorporated into the deposited films. The effect of a bias voltage applied to the substrate has also been investigated and related to the changes in the microstructure and in the nanohardness values of the ZrAlN films.

  17. Influence of aluminium incorporation on the structure of ZrN films deposited at low temperatures

    International Nuclear Information System (INIS)

    Araiza, J J; Sanchez, O

    2009-01-01

    We have studied the influence of Al incorporation in the crystalline structure of ZrN thin films deposited by dc magnetron sputtering at low temperature. The amount of aluminium in the films depends directly on the power applied to the aluminium cathode during the deposition. Energy dispersive x-ray analysis and x-ray diffraction (XRD) were used to obtain the chemical composition and crystalline structure of the films, respectively. When Al atoms are incorporated into the ZrN coatings, the strong ZrN (2 0 0) orientation is modified by a combination of other ones such as ZrN (1 1 1), Zr 3 N 4 (2 1 1) and hexagonal AlN (1 0 0) as detected from the XRD spectra for high aluminium concentrations. Fourier-transform infrared spectroscopy allowed us to identify oxides and nitrides, ZrO, AlO and AlN, incorporated into the deposited films. The effect of a bias voltage applied to the substrate has also been investigated and related to the changes in the microstructure and in the nanohardness values of the ZrAlN films.

  18. Synthesis of magnesium- and manganese-doped hydroxyapatite structures assisted by the simultaneous incorporation of strontium

    Energy Technology Data Exchange (ETDEWEB)

    Moreira, Mirna Pereira [Laboratório de Biomateriais, P" 2CEM/UFS, Av. Marechal Rondon, s/n, São Cristóvão 49100-000, Sergipe (Brazil); Dulce de Almeida Soares, Gloria [Dep. de Eng. Metal. e de Materiais, COPPE/UFRJ, CP 68505, Rio de Janeiro 21941-972 (Brazil); Dentzer, Joseph; Anselme, Karine [Institut de Science des Matériaux de Mulhouse (IS2M), CNRS UMR7361, Université de Haute-Alsace, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Sena, Lídia Ágata de; Kuznetsov, Alexei [Divisão de Metrologia de Materiais, Inmetro, Av. N. Sra. das Graças, 50, Duque de Caxias 25250-020, Rio de Janeiro (Brazil); Santos, Euler Araujo dos, E-mail: euler@ufs.br [Laboratório de Biomateriais, P" 2CEM/UFS, Av. Marechal Rondon, s/n, São Cristóvão 49100-000, Sergipe (Brazil)

    2016-04-01

    Samples of crystalline hydroxyapatite (HA) with and without the addition of individual Mg{sup 2+}, Mn{sup 2+} and Sr{sup 2+} ions and samples with the addition of all three ions simultaneously were prepared using the precipitation method in an aqueous medium. Chemical, structural, spectroscopic and thermophysical analyses of the synthesized samples were conducted. The obtained results indicate that Sr{sup 2+} ions were easily incorporated into the HA crystal structure, whereas it was difficult to incorporate Mg{sup 2+} and Mn{sup 2+} ions into the HA lattice when these ions were individually introduced into the samples. The synthesis of HA with Mg{sup 2+} or Mn{sup 2+} ions is characterized by the formation of HA with a low concentration of doping elements that is outweighed by the amount of these atoms present in less biocompatible phases that formed simultaneously. However, the incorporation of Sr{sup 2+} along with Mg{sup 2+} and Mn{sup 2+} ions into the samples allowed for the synthesis of HA with considerably higher concentrations of Mg{sup 2+} and Mn{sup 2+} in the crystal lattice. - Graphical abstract: Sr{sup 2+} ions were easily incorporated into the HA lattice, whereas Mg{sup 2+} and Mn{sup 2+} ions were hardly retained in the HA structure after heating to 1000 °C when they were individually incorporated in the samples. Nevertheless, co-substitution with Sr{sup 2+} ions allowed for better fixation of the Mg{sup 2+} and Mn{sup 2+} ions into the HA lattice. - Highlights: • Mg{sup 2+} and Mn{sup 2+} ions have a great difficulty being stabilized in the apatite lattice. • Sr{sup 2+} ions can stabilize Mg{sup 2+} and Mn{sup 2+} in the hydroxyapatite structure. • Except for Mn{sup 2+}, Sr{sup 2+} and Mg{sup 2+} obstruct the release of CO{sub 2}.

  19. Incorporating Satellite Time-Series Data into Modeling

    Science.gov (United States)

    Gregg, Watson

    2008-01-01

    In situ time series observations have provided a multi-decadal view of long-term changes in ocean biology. These observations are sufficiently reliable to enable discernment of even relatively small changes, and provide continuous information on a host of variables. Their key drawback is their limited domain. Satellite observations from ocean color sensors do not suffer the drawback of domain, and simultaneously view the global oceans. This attribute lends credence to their use in global and regional model validation and data assimilation. We focus on these applications using the NASA Ocean Biogeochemical Model. The enhancement of the satellite data using data assimilation is featured and the limitation of tongterm satellite data sets is also discussed.

  20. Incorporating Contagion in Portfolio Credit Risk Models Using Network Theory

    Directory of Open Access Journals (Sweden)

    Ioannis Anagnostou

    2018-01-01

    Full Text Available Portfolio credit risk models estimate the range of potential losses due to defaults or deteriorations in credit quality. Most of these models perceive default correlation as fully captured by the dependence on a set of common underlying risk factors. In light of empirical evidence, the ability of such a conditional independence framework to accommodate for the occasional default clustering has been questioned repeatedly. Thus, financial institutions have relied on stressed correlations or alternative copulas with more extreme tail dependence. In this paper, we propose a different remedy—augmenting systematic risk factors with a contagious default mechanism which affects the entire universe of credits. We construct credit stress propagation networks and calibrate contagion parameters for infectious defaults. The resulting framework is implemented on synthetic test portfolios wherein the contagion effect is shown to have a significant impact on the tails of the loss distributions.

  1. Incorporation of intraocular scattering in schematic eye models

    International Nuclear Information System (INIS)

    Navarro, R.

    1985-01-01

    Beckmann's theory of scattering from rough surfaces is applied to obtain, from the experimental veiling glare functions, a diffuser that when placed at the pupil plane would produce the same scattering halo as the ocular media. This equivalent diffuser is introduced in a schematic eye model, and its influence on the point-spread function and the modulation-transfer function of the eye is analyzed

  2. Constitutive modeling of coronary artery bypass graft with incorporated torsion

    Czech Academy of Sciences Publication Activity Database

    Horný, L.; Chlup, Hynek; Žitný, R.; Adámek, T.

    2009-01-01

    Roč. 49, č. 2 (2009), s. 273-277 ISSN 0543-5846 R&D Projects: GA ČR(CZ) GA106/08/0557 Institutional research plan: CEZ:AV0Z20760514 Keywords : coronary artery bypass graft * constitutive model * digital image correlation Subject RIV: BJ - Thermodynamics Impact factor: 0.439, year: 2009 http://web.tuke.sk/sjf-kamam/mmams2009/contents.pdf

  3. Incorporation of ice sheet models into an Earth system model: Focus on methodology of coupling

    Science.gov (United States)

    Rybak, Oleg; Volodin, Evgeny; Morozova, Polina; Nevecherja, Artiom

    2018-03-01

    Elaboration of a modern Earth system model (ESM) requires incorporation of ice sheet dynamics. Coupling of an ice sheet model (ICM) to an AOGCM is complicated by essential differences in spatial and temporal scales of cryospheric, atmospheric and oceanic components. To overcome this difficulty, we apply two different approaches for the incorporation of ice sheets into an ESM. Coupling of the Antarctic ice sheet model (AISM) to the AOGCM is accomplished via using procedures of resampling, interpolation and assigning to the AISM grid points annually averaged meanings of air surface temperature and precipitation fields generated by the AOGCM. Surface melting, which takes place mainly on the margins of the Antarctic peninsula and on ice shelves fringing the continent, is currently ignored. AISM returns anomalies of surface topography back to the AOGCM. To couple the Greenland ice sheet model (GrISM) to the AOGCM, we use a simple buffer energy- and water-balance model (EWBM-G) to account for orographically-driven precipitation and other sub-grid AOGCM-generated quantities. The output of the EWBM-G consists of surface mass balance and air surface temperature to force the GrISM, and freshwater run-off to force thermohaline circulation in the oceanic block of the AOGCM. Because of a rather complex coupling procedure of GrIS compared to AIS, the paper mostly focuses on Greenland.

  4. ECONGAS - model structure

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-12-31

    This report documents a numerical simulation model of the natural gas market in Germany, France, the Netherlands and Belgium. It is a part of a project called ``Internationalization and structural change in the gas market`` aiming to enhance the understanding of the factors behind the current and upcoming changes in the European gas market, especially the downstream part of the gas chain. The model takes European border prices of gas as given, adds transmission and distribution cost and profit margins as well as gas taxes to calculate gas prices. The model includes demand sub-models for households, chemical industry, other industry, the commercial sector and electricity generation. Demand responses to price changes are assumed to take time, and the long run effects are significantly larger than the short run effects. For the household sector and the electricity sector, the dynamics are modeled by distinguishing between energy use in the old and new capital stock. In addition to prices and the activity level (GDP), the model includes the extension of the gas network as a potentially important variable in explaining the development of gas demand. The properties of numerical simulation models are often described by dynamic multipliers, which describe the behaviour of important variables when key explanatory variables are changed. At the end, the report shows the results of a model experiment where the costs in transmission and distribution were reduced. 6 refs., 9 figs., 1 tab.

  5. ECONGAS - model structure

    International Nuclear Information System (INIS)

    1997-01-01

    This report documents a numerical simulation model of the natural gas market in Germany, France, the Netherlands and Belgium. It is a part of a project called ''Internationalization and structural change in the gas market'' aiming to enhance the understanding of the factors behind the current and upcoming changes in the European gas market, especially the downstream part of the gas chain. The model takes European border prices of gas as given, adds transmission and distribution cost and profit margins as well as gas taxes to calculate gas prices. The model includes demand sub-models for households, chemical industry, other industry, the commercial sector and electricity generation. Demand responses to price changes are assumed to take time, and the long run effects are significantly larger than the short run effects. For the household sector and the electricity sector, the dynamics are modeled by distinguishing between energy use in the old and new capital stock. In addition to prices and the activity level (GDP), the model includes the extension of the gas network as a potentially important variable in explaining the development of gas demand. The properties of numerical simulation models are often described by dynamic multipliers, which describe the behaviour of important variables when key explanatory variables are changed. At the end, the report shows the results of a model experiment where the costs in transmission and distribution were reduced. 6 refs., 9 figs., 1 tab

  6. Structured statistical models of inductive reasoning.

    Science.gov (United States)

    Kemp, Charles; Tenenbaum, Joshua B

    2009-01-01

    Everyday inductive inferences are often guided by rich background knowledge. Formal models of induction should aim to incorporate this knowledge and should explain how different kinds of knowledge lead to the distinctive patterns of reasoning found in different inductive contexts. This article presents a Bayesian framework that attempts to meet both goals and describes [corrected] 4 applications of the framework: a taxonomic model, a spatial model, a threshold model, and a causal model. Each model makes probabilistic inferences about the extensions of novel properties, but the priors for the 4 models are defined over different kinds of structures that capture different relationships between the categories in a domain. The framework therefore shows how statistical inference can operate over structured background knowledge, and the authors argue that this interaction between structure and statistics is critical for explaining the power and flexibility of human reasoning.

  7. Models of microbiome evolution incorporating host and microbial selection.

    Science.gov (United States)

    Zeng, Qinglong; Wu, Steven; Sukumaran, Jeet; Rodrigo, Allen

    2017-09-25

    Numerous empirical studies suggest that hosts and microbes exert reciprocal selective effects on their ecological partners. Nonetheless, we still lack an explicit framework to model the dynamics of both hosts and microbes under selection. In a previous study, we developed an agent-based forward-time computational framework to simulate the neutral evolution of host-associated microbial communities in a constant-sized, unstructured population of hosts. These neutral models allowed offspring to sample microbes randomly from parents and/or from the environment. Additionally, the environmental pool of available microbes was constituted by fixed and persistent microbial OTUs and by contributions from host individuals in the preceding generation. In this paper, we extend our neutral models to allow selection to operate on both hosts and microbes. We do this by constructing a phenome for each microbial OTU consisting of a sample of traits that influence host and microbial fitnesses independently. Microbial traits can influence the fitness of hosts ("host selection") and the fitness of microbes ("trait-mediated microbial selection"). Additionally, the fitness effects of traits on microbes can be modified by their hosts ("host-mediated microbial selection"). We simulate the effects of these three types of selection, individually or in combination, on microbiome diversities and the fitnesses of hosts and microbes over several thousand generations of hosts. We show that microbiome diversity is strongly influenced by selection acting on microbes. Selection acting on hosts only influences microbiome diversity when there is near-complete direct or indirect parental contribution to the microbiomes of offspring. Unsurprisingly, microbial fitness increases under microbial selection. Interestingly, when host selection operates, host fitness only increases under two conditions: (1) when there is a strong parental contribution to microbial communities or (2) in the absence of a strong

  8. Incorporation of defects into the central atoms model of a metallic glass

    International Nuclear Information System (INIS)

    Lass, Eric A.; Zhu Aiwu; Shiflet, G.J.; Joseph Poon, S.

    2011-01-01

    The central atoms model (CAM) of a metallic glass is extended to incorporate thermodynamically stable defects, similar to vacancies in a crystalline solid, within the amorphous structure. A bond deficiency (BD), which is the proposed defect present in all metallic glasses, is introduced into the CAM equations. Like vacancies in a crystalline solid, BDs are thermodynamically stable entities because of the increase in entropy associated with their creation, and there is an equilibrium concentration present in the glassy phase. When applied to Cu-Zr and Ni-Zr binary metallic glasses, the concentration of thermally induced BDs surrounding Zr atoms reaches a relatively constant value at the glass transition temperature, regardless of composition within a given glass system. Using this 'critical' defect concentration, the predicted temperatures at which the glass transition is expected to occur are in good agreement with the experimentally determined glass transition temperatures for both alloy systems.

  9. A spectroscopic study of the structure and occupancies of clathrate hydrates incorporating hydrogen

    Science.gov (United States)

    Grim, R. Gary

    With the ability to store and concentrate gases inside a clean and abundant water framework, clathrate hydrates are considered to be a promising material for many applications related to gas storage, separation, and sequestration. Hydrates of hydrogen are particularly interesting, for in addition to these potential applications, the small molecular size provides an opportunity for use as a model guest in many fundamental studies such as guest diffusion, multiple guest occupancy, and quantum mechanical effects upon confinement. In attempt to study these effects and the viability of H 2 hydrates as an energy storage material, a combined experimental and theoretical approach incorporating Raman spectroscopy, X-ray and neutron diffraction, nuclear magnetic resonance, ab-initio calculations, and molecular dynamic simulations was performed. One of the most significant challenges in the application of H2 clathrate hydrates is the demanding thermodynamic requirements needed for stability. In recent years, a mechanism known as the `tuning' effect had reportedly solved this issue where thermodynamic requirements could be reduced while simultaneously maintaining high storage capacities. In this work, the viability and validity of this technique is explored and alternative explanations in the form of epitaxial hydrate growth under high driving force conditions are discussed. A second, and equally important challenge facing clathrate hydrates as a future storage material is the overall storage capacity of H2. In previous work, H2 has only been experimentally verified to occupy the small 512 and 43566 3 cages and also in the large 51264 cages of the type II clathrate, often with an energy deficient promoter. In order to achieve more robust energy densities, other hydrate cages must be accessible. Herein a new method for increasing overall hydrate energy densities is presented involving the incorporation of H2 in the large cages of the type I clathrate with CH4 as a co

  10. Raman scattering in semiconductor structures based on monophthalocyanine and triphthalocyanine molecules incorporating erbium ions

    International Nuclear Information System (INIS)

    Belogorokhov, I. A.; Tikhonov, E. V.; Breusova, M. O.; Pushkarev, V. E.; Zoteev, A. V.; Tomilova, L. G.; Khokhlov, D. R.

    2007-01-01

    Semiconductor structures of the type of butyl-substituted erbium monophthalocyanine and triphthalocyanine are studied by Raman spectroscopy. It is shown that, when the sandwich-like structure of the molecule incorporating two complexing atoms between the ligands is considered instead of the planar molecular structure with one ligand and one metal atom, a series of lines appears in the Raman spectrum. In this series, the wave numbers of the lines represent an arithmetic progression with the arithmetical ratio ∼80 cm -1 . It is suggested that this feature is due to the larger number of organic molecules per metal atom in the triphthalocyanine complex, and the four Raman peaks at the frequencies 122, 208, 280, and 362 cm -1 are the manifestation of slight out-of-plane vibrations of the phthalocyanine ligands

  11. Incorporating Social System Dynamics into the Food-Energy-Water System Resilience-Sustainability Modeling Process

    Science.gov (United States)

    Givens, J.; Padowski, J.; Malek, K.; Guzman, C.; Boll, J.; Adam, J. C.; Witinok-Huber, R.

    2017-12-01

    In the face of climate change and multi-scalar governance objectives, achieving resilience of food-energy-water (FEW) systems requires interdisciplinary approaches. Through coordinated modeling and management efforts, we study "Innovations in the Food-Energy-Water Nexus (INFEWS)" through a case-study in the Columbia River Basin. Previous research on FEW system management and resilience includes some attention to social dynamics (e.g., economic, governance); however, more research is needed to better address social science perspectives. Decisions ultimately taken in this river basin would occur among stakeholders encompassing various institutional power structures including multiple U.S. states, tribal lands, and sovereign nations. The social science lens draws attention to the incompatibility between the engineering definition of resilience (i.e., return to equilibrium or a singular stable state) and the ecological and social system realities, more explicit in the ecological interpretation of resilience (i.e., the ability of a system to move into a different, possibly more resilient state). Social science perspectives include but are not limited to differing views on resilience as normative, system persistence versus transformation, and system boundary issues. To expand understanding of resilience and objectives for complex and dynamic systems, concepts related to inequality, heterogeneity, power, agency, trust, values, culture, history, conflict, and system feedbacks must be more tightly integrated into FEW research. We identify gaps in knowledge and data, and the value and complexity of incorporating social components and processes into systems models. We posit that socio-biophysical system resilience modeling would address important complex, dynamic social relationships, including non-linear dynamics of social interactions, to offer an improved understanding of sustainable management in FEW systems. Conceptual modeling that is presented in our study, represents

  12. Incorporation particle creation and annihilation into Bohm's Pilot Wave model

    Energy Technology Data Exchange (ETDEWEB)

    Sverdlov, Roman [Raman Research Institute, C.V. Raman Avenue, Sadashiva Nagar, Bangalore, Karnataka, 560080 (India)

    2011-07-08

    The purpose of this paper is to come up with a Pilot Wave model of quantum field theory that incorporates particle creation and annihilation without sacrificing determinism; this theory is subsequently coupled with gravity.

  13. INCORPORATION OF MECHANISTIC INFORMATION IN THE ARSENIC PBPK MODEL DEVELOPMENT PROCESS

    Science.gov (United States)

    INCORPORATING MECHANISTIC INSIGHTS IN A PBPK MODEL FOR ARSENICElaina M. Kenyon, Michael F. Hughes, Marina V. Evans, David J. Thomas, U.S. EPA; Miroslav Styblo, University of North Carolina; Michael Easterling, Analytical Sciences, Inc.A physiologically based phar...

  14. The joint probability distribution of structure factors incorporating anomalous-scattering and isomorphous-replacement data

    International Nuclear Information System (INIS)

    Peschar, R.; Schenk, H.

    1991-01-01

    A method to derive joint probability distributions of structure factors is presented which incorporates anomalous-scattering and isomorphous-replacement data in a unified procedure. The structure factors F H and F -H , whose magnitudes are different due to anomalous scattering, are shown to be isomorphously related. This leads to a definition of isomorphism by means of which isomorphous-replacement and anomalous-scattering data can be handled simultaneously. The definition and calculation of the general term of the joint probability distribution for isomorphous structure factors turns out to be crucial. Its analytical form leads to an algorithm by means of which any particular joint probability distribution of structure factors can be constructed. The calculation of the general term is discussed for the case of four isomorphous structure factors in P1, assuming the atoms to be independently and uniformly distributed. A main result is the construction of the probability distribution of the 64 triplet phase sums present in space group P1 amongst four isomorphous structure factors F H , four isomorphous F K and four isomorphous F -H-K . The procedure is readily generalized in the case where an arbitrary number of isomorphous structure factors are available for F H , F K and F -H-K . (orig.)

  15. Correlation between substrate bias, growth process and structural properties of phosphorus incorporated tetrahedral amorphous carbon films

    International Nuclear Information System (INIS)

    Liu Aiping; Zhu Jiaqi; Han Jiecai; Wu Huaping; Jia Zechun

    2007-01-01

    We investigate the growth process and structural properties of phosphorus incorporated tetrahedral amorphous carbon (ta-C:P) films which are deposited at different substrate biases by filtered cathodic vacuum arc technique with PH 3 as the dopant source. The films are characterized by X-ray photoelectron spectroscopy (XPS), atomic force microscopy, Raman spectroscopy, residual stress measurement, UV/VIS/NIR absorption spectroscopy and temperature-dependent conductivity measurement. The atomic fraction of phosphorus in the films as a function of substrate bias is obtained by XPS analysis. The optimum bias for phosphorus incorporation is about -80 V. Raman spectra show that the amorphous structures of all samples with atomic-scaled smooth surface are not remarkably changed when PH 3 is implanted, but some small graphitic crystallites are formed. Moreover, phosphorus impurities and higher-energetic impinging ions are favorable for the clustering of sp 2 sites dispersed in sp 3 skeleton and increase the level of structural ordering for ta-C:P films, which further releases the compressive stress and enhances the conductivity of the films. Our analysis establishes an interrelationship between microstructure, stress state, electrical properties, and substrate bias, which helps to understand the deposition mechanism of ta-C:P films

  16. High-Strain Rate Failure Modeling Incorporating Shear Banding and Fracture

    Science.gov (United States)

    2017-11-22

    High Strain Rate Failure Modeling Incorporating Shear Banding and Fracture The views, opinions and/or findings contained in this report are those of...SECURITY CLASSIFICATION OF: 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6. AUTHORS...Report as of 05-Dec-2017 Agreement Number: W911NF-13-1-0238 Organization: Columbia University Title: High Strain Rate Failure Modeling Incorporating

  17. Site specific incorporation of heavy atom-containing unnatural amino acids into proteins for structure determination

    Science.gov (United States)

    Xie, Jianming [San Diego, CA; Wang, Lei [San Diego, CA; Wu, Ning [Boston, MA; Schultz, Peter G [La Jolla, CA

    2008-07-15

    Translation systems and other compositions including orthogonal aminoacyl tRNA-synthetases that preferentially charge an orthogonal tRNA with an iodinated or brominated amino acid are provided. Nucleic acids encoding such synthetases are also described, as are methods and kits for producing proteins including heavy atom-containing amino acids, e.g., brominated or iodinated amino acids. Methods of determining the structure of a protein, e.g., a protein into which a heavy atom has been site-specifically incorporated through use of an orthogonal tRNA/aminoacyl tRNA-synthetase pair, are also described.

  18. Constraining Distributed Catchment Models by Incorporating Perceptual Understanding of Spatial Hydrologic Behaviour

    Science.gov (United States)

    Hutton, Christopher; Wagener, Thorsten; Freer, Jim; Han, Dawei

    2016-04-01

    Distributed models offer the potential to resolve catchment systems in more detail, and therefore simulate the hydrological impacts of spatial changes in catchment forcing (e.g. landscape change). Such models tend to contain a large number of poorly defined and spatially varying model parameters which are therefore computationally expensive to calibrate. Insufficient data can result in model parameter and structural equifinality, particularly when calibration is reliant on catchment outlet discharge behaviour alone. Evaluating spatial patterns of internal hydrological behaviour has the potential to reveal simulations that, whilst consistent with measured outlet discharge, are qualitatively dissimilar to our perceptual understanding of how the system should behave. We argue that such understanding, which may be derived from stakeholder knowledge across different catchments for certain process dynamics, is a valuable source of information to help reject non-behavioural models, and therefore identify feasible model structures and parameters. The challenge, however, is to convert different sources of often qualitative and/or semi-qualitative information into robust quantitative constraints of model states and fluxes, and combine these sources of information together to reject models within an efficient calibration framework. Here we present the development of a framework to incorporate different sources of data to efficiently calibrate distributed catchment models. For each source of information, an interval or inequality is used to define the behaviour of the catchment system. These intervals are then combined to produce a hyper-volume in state space, which is used to identify behavioural models. We apply the methodology to calibrate the Penn State Integrated Hydrological Model (PIHM) at the Wye catchment, Plynlimon, UK. Outlet discharge behaviour is successfully simulated when perceptual understanding of relative groundwater levels between lowland peat, upland peat

  19. Incorporating the life course model into MCH nutrition leadership education and training programs.

    Science.gov (United States)

    Haughton, Betsy; Eppig, Kristen; Looney, Shannon M; Cunningham-Sabo, Leslie; Spear, Bonnie A; Spence, Marsha; Stang, Jamie S

    2013-01-01

    Life course perspective, social determinants of health, and health equity have been combined into one comprehensive model, the life course model (LCM), for strategic planning by US Health Resources and Services Administration's Maternal and Child Health Bureau. The purpose of this project was to describe a faculty development process; identify strategies for incorporation of the LCM into nutrition leadership education and training at the graduate and professional levels; and suggest broader implications for training, research, and practice. Nineteen representatives from 6 MCHB-funded nutrition leadership education and training programs and 10 federal partners participated in a one-day session that began with an overview of the models and concluded with guided small group discussions on how to incorporate them into maternal and child health (MCH) leadership training using obesity as an example. Written notes from group discussions were compiled and coded emergently. Content analysis determined the most salient themes about incorporating the models into training. Four major LCM-related themes emerged, three of which were about training: (1) incorporation by training grants through LCM-framed coursework and experiences for trainees, and similarly framed continuing education and skills development for professionals; (2) incorporation through collaboration with other training programs and state and community partners, and through advocacy; and (3) incorporation by others at the federal and local levels through policy, political, and prevention efforts. The fourth theme focused on anticipated challenges of incorporating the model in training. Multiple methods for incorporating the LCM into MCH training and practice are warranted. Challenges to incorporating include the need for research and related policy development.

  20. Phase behavior and nanoscale structure of phospholipid membranes incorporated with acylated C-14-peptides

    DEFF Research Database (Denmark)

    Pedersen, T.B.; Kaasgaard, Thomas; Jensen, M.O.

    2005-01-01

    The thermotropic phase behavior and lateral structure of dipalmitoylphosphatidylcholine (DPPC) lipid bilayers containing an acylated peptide has been characterized by differential scanning calorimetry (DSC) on vesicles and atomic force microscopy (AFM) on mica-supported bilayers. The acylated...... peptide, which is a synthetic decapeptide N-terminally linked to a C-14 acyl chain (C-14-peptide), is incorporated into DPPC bilayers in amounts ranging from 0-20 mol %. The calorimetric scans of the two-component system demonstrate a distinct influence of the C-14-peptide on the lipid bilayer...... gel phase DPPC bilayers, inserts preferentially into preexisting defect regions and has a noticeable influence on the organization of the surrounding lipids. The presence of the C-14-peptide gives rise to a laterally heterogeneous bilayer structure with coexisting lipid domains characterized by a 10...

  1. Carbon fiber polymer-matrix structural composites tailored for multifunctionality by filler incorporation

    Science.gov (United States)

    Han, Seungjin

    This dissertation provides multifunctional carbon fiber polymer-matrix structural composites for vibration damping, thermal conduction and thermoelectricity. Specifically, (i) it has strengthened and stiffened carbon fiber polymer-matrix structural composites by the incorporation of halloysite nanotubes, carbon nanotubes and silicon carbide whiskers, (ii) it has improved mechanical energy dissipation using carbon fiber polymer-matrix structural composites with filler incorporation, (iii) it has increased the through-thickness thermal conductivity of carbon fiber polymer-matrix composite by curing pressure increase and filler incorporation, and (iv) it has enhanced the thermoelectric behavior of carbon fiber polymer-matrix structural composites. Low-cost natural halloysite nanotubes (0.1 microm diameter) were effective for strengthening and stiffening continuous fiber polymer-matrix composites, as shown for crossply carbon fiber (5 microm diameter, ˜59 vol.%) epoxy-matrix composites under flexure, giving 17% increase in strength, 11% increase in modulus and 21% decrease in ductility. They were less effective than expensive multiwalled carbon nanotubes (0.02 microm diameter), which gave 25% increase in strength, 11% increase in modulus and 14% decrease in ductility. However, they were more effective than expensive silicon carbide whiskers (1 microm diameter), which gave 15% increase in strength, 9% increase in modulus and 20% decrease in ductility. Each filler, at ˜2 vol.%, was incorporated in the composite at every interlaminar interface by fiber prepreg surface modification. The flexural strength increase due to halloysite nanotubes incorporation related to the interlaminar shear strength increase. The measured values of the composite modulus agreed roughly with the calculated values based on the Rule of Mixtures. Continuous carbon fiber composites with enhanced vibration damping under flexure are provided by incorporation of fillers between the laminae

  2. Structural system identification: Structural dynamics model validation

    Energy Technology Data Exchange (ETDEWEB)

    Red-Horse, J.R.

    1997-04-01

    Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.

  3. Structural basis for the site-specific incorporation of lysine derivatives into proteins.

    Directory of Open Access Journals (Sweden)

    Veronika Flügel

    Full Text Available Posttranslational modifications (PTMs of proteins determine their structure-function relationships, interaction partners, as well as their fate in the cell and are crucial for many cellular key processes. For instance chromatin structure and hence gene expression is epigenetically regulated by acetylation or methylation of lysine residues in histones, a phenomenon known as the 'histone code'. Recently it was shown that these lysine residues can furthermore be malonylated, succinylated, butyrylated, propionylated and crotonylated, resulting in significant alteration of gene expression patterns. However the functional implications of these PTMs, which only differ marginally in their chemical structure, is not yet understood. Therefore generation of proteins containing these modified amino acids site specifically is an important tool. In the last decade methods for the translational incorporation of non-natural amino acids using orthogonal aminoacyl-tRNA synthetase (aaRS:tRNAaaCUA pairs were developed. A number of studies show that aaRS can be evolved to use non-natural amino acids and expand the genetic code. Nevertheless the wild type pyrrolysyl-tRNA synthetase (PylRS from Methanosarcina mazei readily accepts a number of lysine derivatives as substrates. This enzyme can further be engineered by mutagenesis to utilize a range of non-natural amino acids. Here we present structural data on the wild type enzyme in complex with adenylated ε-N-alkynyl-, ε-N-butyryl-, ε-N-crotonyl- and ε-N-propionyl-lysine providing insights into the plasticity of the PylRS active site. This shows that given certain key features in the non-natural amino acid to be incorporated, directed evolution of this enzyme is not necessary for substrate tolerance.

  4. Developing Baltic cod recruitment models II : Incorporation of environmental variability and species interaction

    DEFF Research Database (Denmark)

    Köster, Fritz; Hinrichsen, H.H.; St. John, Michael

    2001-01-01

    We investigate whether a process-oriented approach based on the results of field, laboratory, and modelling studies can be used to develop a stock-environment-recruitment model for Central Baltic cod (Gadus morhua). Based on exploratory statistical analysis, significant variables influencing...... cod in these areas, suggesting that key biotic and abiotic processes can be successfully incorporated into recruitment models....... survival of early life stages and varying systematically among spawning sites were incorporated into stock-recruitment models, first for major cod spawning sites and then combined for the entire Central Baltic. Variables identified included potential egg production by the spawning stock, abiotic conditions...

  5. Erosional stability of rehabilitated uranium mine structures incorporating natural landform characteristics, northern tropical Australia

    International Nuclear Information System (INIS)

    East, T.J.; Uren, C.J.; Noller, B.N.; Cull, R.F.; Curley, P.M.; Unger, C.J.

    1994-01-01

    Australian Government guidelines specify that tailings containment structures at rehabilitated uranium mines in the Alligator Rivers Region of tropical northern Australia should have an engineered structural life of 1000 years. As part of the containment structure design process, erosion plots incorporating both regional geomorphological characteristics (concave hillslope profiles and a weathering-resistant rock cover of schist) and more conventional engineering design parameters (straight slopes and mine waste rock) were constructed at the Ranger Uranium Mine. The plots were monitored for storm runoff, and concentrations of solutes, suspended solids and selected ions over successive wet seasons. The concave slopes (the hillslope analogues) had lower peak discharges and lower concentrations of suspended solids than the straight slopes. However, solute concentrations in runoff from the schist covered (hillslope) slopes were higher than from the waste rock covered plots. Solute (mainly magnesium sulfate) concentrations for both rock types decreased by about an order of magnitude over the wet season. High sulfate concentrations are also likely to decrease substantially after several wet seasons, due to settlement of the waste rock and a reduction in rates of weathering. Development of a vegetation cover on the rehabilitated landforms will reduce the high suspended sediment concentrations. These initial results suggest that rehabilitated uranium mine structures which utilise selected features of stable natural landforms in their design may have greater erosional stability than more conventionally engineered structures. (orig.)

  6. Principles and practice of structural equation modeling

    CERN Document Server

    Kline, Rex B

    2015-01-01

    Emphasizing concepts and rationale over mathematical minutiae, this is the most widely used, complete, and accessible structural equation modeling (SEM) text. Continuing the tradition of using real data examples from a variety of disciplines, the significantly revised fourth edition incorporates recent developments such as Pearl's graphing theory and the structural causal model (SCM), measurement invariance, and more. Readers gain a comprehensive understanding of all phases of SEM, from data collection and screening to the interpretation and reporting of the results. Learning is enhanced by ex

  7. Structural incorporation of MgCl2 into ice VII at room temperature

    Science.gov (United States)

    Watanabe, Mao; Komatsu, Kazuki; Noritake, Fumiya; Kagi, Hiroyuki

    2017-05-01

    Raman spectra and X-ray diffraction patterns were obtained from 1:100 and 1:200 \\text{MgCl}2:\\text{H}2\\text{O} solutions (in molar ratio) at pressures up to 6 GPa using diamond anvil cells (DACs) and compared with those of pure water. The O-H stretching band from ice VII crystallized from the 1:200 solution was approximately 10 cm-1 higher than that of pure ice VII. The phase boundaries between ice VII and VIII crystallized from the MgCl2 solutions at 4 GPa were 2 K lower than those of pure ice VII and VIII. These observations indicate that ice VII incorporates MgCl2 into its structure. The unit cell volumes of ice VII crystallized from pure water and the two solutions coincided with each other within the experimental error, and salt incorporation was not detectable from the cell volume. Possible configurations of ion substitution and excess volume of ice VIII were simulated on the basis of density functional theory (DFT) calculations.

  8. Predicting Protein Secondary Structure with Markov Models

    DEFF Research Database (Denmark)

    Fischer, Paul; Larsen, Simon; Thomsen, Claus

    2004-01-01

    we are considering here, is to predict the secondary structure from the primary one. To this end we train a Markov model on training data and then use it to classify parts of unknown protein sequences as sheets, helices or coils. We show how to exploit the directional information contained...... in the Markov model for this task. Classifications that are purely based on statistical models might not always be biologically meaningful. We present combinatorial methods to incorporate biological background knowledge to enhance the prediction performance....

  9. Incorporation of 2(S)-methylbutanoic acid-1-14C into the structure of mevinolin

    International Nuclear Information System (INIS)

    Willard, A.K.; Smith, R.L.

    1982-01-01

    A route to mevinolin approximately equal to (1) bearing (S)-2-methylbutanoic acid -1- 14 C as the ester side chain has been developed. The structure of mevinolin approximately equal to (1) was degraded and selectively protected to provide the alcohol approximately equal to 3 in three steps. Incorporation of 14 C was accomplished by acylation of alcohol approximately equal to 3 with (R,S)-2-methylbutyryl chloride-1- 14 C. Cleavage of the silyl ether protecting group in the resulting mixture of esters approximately equal to 4 provided the two diastereoisomers approximately equal to 5 and approximately equal to 6 which were separated by reverse-phase liquid chromatography. Mevinolin - 14 C approximately equal to (5) was also converted to the ammonium salt approximately equal to 7 of the corresponding dihydroxy acid. (author)

  10. A multi-period, multi-regional generation expansion planning model incorporating unit commitment constraints

    International Nuclear Information System (INIS)

    Koltsaklis, Nikolaos E.; Georgiadis, Michael C.

    2015-01-01

    Highlights: • A short-term structured investment planning model has been developed. • Unit commitment problem is incorporated into the long-term planning horizon. • Inherent intermittency of renewables is modelled in a comprehensive way. • The impact of CO_2 emission pricing in long-term investment decisions is quantified. • The evolution of system’s marginal price is evaluated for all the planning horizon. - Abstract: This work presents a generic mixed integer linear programming (MILP) model that integrates the unit commitment problem (UCP), i.e., daily energy planning with the long-term generation expansion planning (GEP) framework. Typical daily constraints at an hourly level such as start-up and shut-down related decisions (start-up type, minimum up and down time, synchronization, soak and desynchronization time constraints), ramping limits, system reserve requirements are combined with representative yearly constraints such as power capacity additions, power generation bounds of each unit, peak reserve requirements, and energy policy issues (renewables penetration limits, CO_2 emissions cap and pricing). For modelling purposes, a representative day (24 h) of each month over a number of years has been employed in order to determine the optimal capacity additions, electricity market clearing prices, and daily operational planning of the studied power system. The model has been tested on an illustrative case study of the Greek power system. Our approach aims to provide useful insight into strategic and challenging decisions to be determined by investors and/or policy makers at a national and/or regional level by providing the optimal energy roadmap under real operating and design constraints.

  11. Structural transformations, water incorporation and transport properties of tin-substituted barium indate

    Science.gov (United States)

    Cichy, Kacper; Skubida, Wojciech; Świerczek, Konrad

    2018-06-01

    Incorporation of water into tin-substituted BaIn1-xSnxO3-δ (x = 0.1-0.3) is shown to influence crystal structure at room temperature, structural transformations at high temperatures and ionic transport properties of the materials. Increasing tin content stabilizes oxygen vacancy-disordered perovskite-type phase, which together with large changes of the unit cell volume occurring during hydration and dehydration processes, result in a complex structural behavior, as documented by high-temperature X-ray diffraction and thermogravimetric studies. Impedance spectroscopy measurements at elevated temperatures (350-800 °C) revealed very high proton conductivity in BaIn.8Sn.2O3-δ, exceeding 1.1·10-3 S cm-1 at 500 °C, with high values of the transference number in wet air. At the same time, relaxation kinetics of the electrical conductivity showed a monotonous nature, which indicates negligible component of the electronic hole conductivity in the hydrated material. The oxides are extremely moisture-sensitive, which results in a significant mechanical stability problems, affecting possibility to prepare electrolyte membranes.

  12. Incorporation of the capillary hysteresis model HYSTR into the numerical code TOUGH

    International Nuclear Information System (INIS)

    Niemi, A.; Bodvarsson, G.S.; Pruess, K.

    1991-11-01

    As part of the work performed to model flow in the unsaturated zone at Yucca Mountain Nevada, a capillary hysteresis model has been developed. The computer program HYSTR has been developed to compute the hysteretic capillary pressure -- liquid saturation relationship through interpolation of tabulated data. The code can be easily incorporated into any numerical unsaturated flow simulator. A complete description of HYSTR, including a brief summary of the previous hysteresis literature, detailed description of the program, and instructions for its incorporation into a numerical simulator are given in the HYSTR user's manual (Niemi and Bodvarsson, 1991a). This report describes the incorporation of HYSTR into the numerical code TOUGH (Transport of Unsaturated Groundwater and Heat; Pruess, 1986). The changes made and procedures for the use of TOUGH for hysteresis modeling are documented

  13. Incorporating creditors' seniority into contingent claim models: Applicarion to peripheral euro area countries

    OpenAIRE

    Gómez-Puig, Marta; Singh, Manish Kumar; Sosvilla Rivero, Simón, 1961-

    2018-01-01

    This paper highlights the role of multilateral creditors (i.e., the ECB, IMF, ESM etc.) and their preferred creditor status in explaining the sovereign default risk of peripheral euro area (EA) countries. Incorporating lessons from sovereign debt crises in general, and from the Greek debt restructuring in particular, we define the priority structure of sovereigns' creditors that is most relevant for peripheral EA countries in severe crisis episodes. This new priority structure of creditors, t...

  14. Simulation of Forest Carbon Fluxes Using Model Incorporation and Data Assimilation

    OpenAIRE

    Min Yan; Xin Tian; Zengyuan Li; Erxue Chen; Xufeng Wang; Zongtao Han; Hong Sun

    2016-01-01

    This study improved simulation of forest carbon fluxes in the Changbai Mountains with a process-based model (Biome-BGC) using incorporation and data assimilation. Firstly, the original remote sensing-based MODIS MOD_17 GPP (MOD_17) model was optimized using refined input data and biome-specific parameters. The key ecophysiological parameters of the Biome-BGC model were determined through the Extended Fourier Amplitude Sensitivity Test (EFAST) sensitivity analysis. Then the optimized MOD_17 mo...

  15. PRODUCT STRUCTURE DIGITAL MODEL

    Directory of Open Access Journals (Sweden)

    V.M. Sineglazov

    2005-02-01

    Full Text Available  Research results of representation of product structure made by means of CADDS5 computer-aided design (CAD system, Product Data Management Optegra (PDM system and Product Life Cycle Management Wind-chill system (PLM, are examined in this work. Analysis of structure component development and its storage in various systems is carried out. Algorithms of structure transformation required for correct representation of the structure are considered. Management analysis of electronic mockup presentation of the product structure is carried out for Windchill system.

  16. Synthesis and Crystal Structures of Two Metal Complexes Incorporating Malonate and Organodiamine Ligands

    International Nuclear Information System (INIS)

    Zhang, Quan Zheng; Yang, Wen Bin; Chen, Shu Mei; Lu, Can Zhong

    2005-01-01

    In the present work we report the synthesis and X-ray crystal structures of two new malonato complexes incorporating organodiamine ligands: [Ni(phen)(mal)(H_2O)_2]·3H_2O (H_2mal = malonic acid, phen = 1,10-phenanthroline) and [Zn(bpy)(H_2O)]_2[Zn(bpy)(mal)(H_2O)_2]_2(NO_3)_4·4H_2O (bpy = 2,2'-bipyridine). Investigation on novel organic-inorganic hybrid framework assemblies represents one of the most active areas of material science and chemical research. Major advances have been made in these materials due to their interesting properties and potential in various applications, e. g., electrical conductivity, magnetism, host-guest chemistry, ion exchange, catalysis, nonlinear optics, etc. Moreover, discovery and design of such new materials with specific networks remain of a particularly important and active subject in the field of supramolecuar chemistry and crystal engineering. A variety of complexes with interesting compositions and topologies have been prepared through taking certain factors into account, such as the coordination nature of the metal ion and the shape, functionality, flexibility, and symmetry of organic ligand. Recently, some dicarboxylate ligands, such as oxalate, malonate, and terephthalate, have been widely used in the construction of these interesting structures

  17. Group spike-and-slab lasso generalized linear models for disease prediction and associated genes detection by incorporating pathway information.

    Science.gov (United States)

    Tang, Zaixiang; Shen, Yueping; Li, Yan; Zhang, Xinyan; Wen, Jia; Qian, Chen'ao; Zhuang, Wenzhuo; Shi, Xinghua; Yi, Nengjun

    2018-03-15

    Large-scale molecular data have been increasingly used as an important resource for prognostic prediction of diseases and detection of associated genes. However, standard approaches for omics data analysis ignore the group structure among genes encoded in functional relationships or pathway information. We propose new Bayesian hierarchical generalized linear models, called group spike-and-slab lasso GLMs, for predicting disease outcomes and detecting associated genes by incorporating large-scale molecular data and group structures. The proposed model employs a mixture double-exponential prior for coefficients that induces self-adaptive shrinkage amount on different coefficients. The group information is incorporated into the model by setting group-specific parameters. We have developed a fast and stable deterministic algorithm to fit the proposed hierarchal GLMs, which can perform variable selection within groups. We assess the performance of the proposed method on several simulated scenarios, by varying the overlap among groups, group size, number of non-null groups, and the correlation within group. Compared with existing methods, the proposed method provides not only more accurate estimates of the parameters but also better prediction. We further demonstrate the application of the proposed procedure on three cancer datasets by utilizing pathway structures of genes. Our results show that the proposed method generates powerful models for predicting disease outcomes and detecting associated genes. The methods have been implemented in a freely available R package BhGLM (http://www.ssg.uab.edu/bhglm/). nyi@uab.edu. Supplementary data are available at Bioinformatics online.

  18. Incorporating organizational factors into probabilistic safety assessment of nuclear power plants through canonical probabilistic models

    Energy Technology Data Exchange (ETDEWEB)

    Galan, S.F. [Dpto. de Inteligencia Artificial, E.T.S.I. Informatica (UNED), Juan del Rosal, 16, 28040 Madrid (Spain)]. E-mail: seve@dia.uned.es; Mosleh, A. [2100A Marie Mount Hall, Materials and Nuclear Engineering Department, University of Maryland, College Park, MD 20742 (United States)]. E-mail: mosleh@umd.edu; Izquierdo, J.M. [Area de Modelado y Simulacion, Consejo de Seguridad Nuclear, Justo Dorado, 11, 28040 Madrid (Spain)]. E-mail: jmir@csn.es

    2007-08-15

    The {omega}-factor approach is a method that explicitly incorporates organizational factors into Probabilistic safety assessment of nuclear power plants. Bayesian networks (BNs) are the underlying formalism used in this approach. They have a structural part formed by a graph whose nodes represent organizational variables, and a parametric part that consists of conditional probabilities, each of them quantifying organizational influences between one variable and its parents in the graph. The aim of this paper is twofold. First, we discuss some important limitations of current procedures in the {omega}-factor approach for either assessing conditional probabilities from experts or estimating them from data. We illustrate the discussion with an example that uses data from Licensee Events Reports of nuclear power plants for the estimation task. Second, we introduce significant improvements in the way BNs for the {omega}-factor approach can be constructed, so that parameter acquisition becomes easier and more intuitive. The improvements are based on the use of noisy-OR gates as model of multicausal interaction between each BN node and its parents.

  19. Incorporating organizational factors into probabilistic safety assessment of nuclear power plants through canonical probabilistic models

    International Nuclear Information System (INIS)

    Galan, S.F.; Mosleh, A.; Izquierdo, J.M.

    2007-01-01

    The ω-factor approach is a method that explicitly incorporates organizational factors into Probabilistic safety assessment of nuclear power plants. Bayesian networks (BNs) are the underlying formalism used in this approach. They have a structural part formed by a graph whose nodes represent organizational variables, and a parametric part that consists of conditional probabilities, each of them quantifying organizational influences between one variable and its parents in the graph. The aim of this paper is twofold. First, we discuss some important limitations of current procedures in the ω-factor approach for either assessing conditional probabilities from experts or estimating them from data. We illustrate the discussion with an example that uses data from Licensee Events Reports of nuclear power plants for the estimation task. Second, we introduce significant improvements in the way BNs for the ω-factor approach can be constructed, so that parameter acquisition becomes easier and more intuitive. The improvements are based on the use of noisy-OR gates as model of multicausal interaction between each BN node and its parents

  20. Structure of bacterial communities in soil following cover crop and organic fertilizer incorporation.

    Science.gov (United States)

    Fernandez, Adria L; Sheaffer, Craig C; Wyse, Donald L; Staley, Christopher; Gould, Trevor J; Sadowsky, Michael J

    2016-11-01

    Incorporation of organic material into soils is an important element of organic farming practices that can affect the composition of the soil bacterial communities that carry out nutrient cycling and other functions crucial to crop health and growth. We conducted a field experiment to determine the effects of cover crops and fertilizers on bacterial community structure in agricultural soils under long-term organic management. Illumina sequencing of 16S rDNA revealed diverse communities comprising 45 bacterial phyla in corn rhizosphere and bulk field soil. Community structure was most affected by location and by the rhizosphere effect, followed by sampling time and amendment treatment. These effects were associated with soil physicochemical properties, including pH, moisture, organic matter, and nutrient levels. Treatment differences were apparent in bulk and rhizosphere soils at the time of peak corn growth in the season following cover crop and fertilizer application. Cover crop and fertilizer treatments tended to lower alpha diversity in early season samples. However, winter rye, oilseed radish, and buckwheat cover crop treatments increased alpha diversity in some later season samples compared to a no-amendment control. Fertilizer treatments and some cover crops decreased relative abundance of members of the ammonia-oxidizing family Nitrosomonadaceae. Pelleted poultry manure and Sustane® (a commercial fertilizer) decreased the relative abundance of Rhizobiales. Our data point to a need for future research exploring how (1) cover crops influence bacterial community structure and functions, (2) these effects differ with biomass composition and quantity, and (3) existing soil conditions and microbial community composition influence how soil microbial populations respond to agricultural management practices.

  1. An attempt to estimate isotropic and anisotropic lateral structure of the Earth by spectral inversion incorporating mixed coupling

    Science.gov (United States)

    Oda, Hitoshi

    2005-02-01

    We present a way to calculate free oscillation spectra for an aspherical earth model, which is constructed by adding isotropic and anisotropic velocity perturbations to the seismic velocity parameters of a reference earth model, and examine the effect of the velocity perturbations on the free oscillation spectrum. Lateral variations of the velocity perturbations are parametrized as an expansion in generalized spherical harmonics. We assume weak hexagonal anisotropy for the seismic wave anisotropy in the upper mantle, where the hexagonal symmetry axes are horizontally distributed. The synthetic spectra show that the velocity perturbations cause not only strong self-coupling among singlets of a multiplet but also mixed coupling between toroidal and spheroidal multiplets. Both the couplings give rise to an amplitude anomaly on the vertical component spectrum. In this study, we identify the amplitude anomaly resulting from the mixed coupling as quasi-toroidal mode. Excitation of the quasi-toroidal mode by a vertical strike-slip fault is largest on nodal lines of the Rayleigh wave, decreases with increasing azimuth angle and becomes smallest on loop lines. This azimuthal dependence of the spectral amplitude is quite similar to the Love wave radiation pattern. In addition, the amplitude spectrum of the quasi-toroidal mode is more sensitive to the anisotropic velocity perturbation than to the isotropic velocity perturbation. This means that the mode spectrum allowing for the mixed-coupling effect may provide constraints on the anisotropic lateral structure as well as the isotropic lateral structure. An inversion method, called mixed-coupling spectral inversion, is devised to retrieve the isotropic and anisotropic velocity perturbations from the free oscillation spectra incorporating the quasi-toroidal mode. We confirm that the spectral inversion method correctly recovers the isotropic and anisotropic lateral structure. Moreover introducing the mixed-coupling effect in the

  2. PWR plant operator training used full scope simulator incorporated MAAP model

    International Nuclear Information System (INIS)

    Matsumoto, Y.; Tabuchi, T.; Yamashita, T.; Komatsu, Y.; Tsubouchi, K.; Banka, T.; Mochizuki, T.; Nishimura, K.; Iizuka, H.

    2015-01-01

    NTC makes an effort with the understanding of plant behavior of core damage accident as part of our advanced training. For the Fukushima Daiichi Nuclear Power Station accident, we introduced the MAAP model into PWR operator training full scope simulator and also made the Severe Accident Visual Display unit. From 2014, we will introduce new training program for a core damage accident with PWR operator training full scope simulator incorporated the MAAP model and the Severe Accident Visual Display unit. (author)

  3. INCORPORATING MULTIPLE OBJECTIVES IN PLANNING MODELS OF LOW-RESOURCE FARMERS

    OpenAIRE

    Flinn, John C.; Jayasuriya, Sisira; Knight, C. Gregory

    1980-01-01

    Linear goal programming provides a means of formally incorporating the multiple goals of a household into the analysis of farming systems. Using this approach, the set of plans which come as close as possible to achieving a set of desired goals under conditions of land and cash scarcity are derived for a Filipino tenant farmer. A challenge in making LGP models empirically operational is the accurate definition of the goals of the farm household being modelled.

  4. Integrated materials–structural models

    DEFF Research Database (Denmark)

    Stang, Henrik; Geiker, Mette Rica

    2008-01-01

    , repair works and strengthening methods for structures. A very significant part of the infrastructure consists of reinforced concrete structures. Even though reinforced concrete structures typically are very competitive, certain concrete structures suffer from various types of degradation. A framework...... should define a framework in which materials research results eventually should fit in and on the other side the materials research should define needs and capabilities in structural modelling. Integrated materials-structural models of a general nature are almost non-existent in the field of cement based...

  5. Incorporation of Fine-Grained Sediment Erodibility Measurements into Sediment Transport Modeling, Capitol Lake, Washington

    Science.gov (United States)

    Stevens, Andrew W.; Gelfenbaum, Guy; Elias, Edwin; Jones, Craig

    2008-01-01

    Capitol Lake was created in 1951 with the construction of a concrete dam and control gate that prevented salt-water intrusion into the newly formed lake and regulated flow of the Deschutes River into southern Puget Sound. Physical processes associated with the former tidally dominated estuary were altered, and the dam structure itself likely caused an increase in retention of sediment flowing into the lake from the Deschutes River. Several efforts to manage sediment accumulation in the lake, including dredging and the construction of sediment traps upriver, failed to stop the lake from filling with sediment. The Deschutes Estuary Feasibility Study (DEFS) was carried out to evaluate the possibility of removing the dam and restoring estuarine processes as an alternative ongoing lake management. An important component of DEFS was the creation of a hydrodynamic and sediment transport model of the restored Deschutes Estuary. Results from model simulations indicated that estuarine processes would be restored under each of four restoration alternatives, and that over time, the restored estuary would have morphological features similar to the predam estuary. The model also predicted that after dam-removal, a large portion of the sediment eroded from the lake bottom would be deposited near the Port of Olympia and a marina located in lower Budd Inlet seaward of the present dam. The volume of sediment transported downstream was a critical piece of information that managers needed to estimate the total cost of the proposed restoration project. However, the ability of the model to predict the magnitude of sediment transport in general and, in particular, the volume of sediment deposition in the port and marina was limited by a lack of information on the erodibility of fine-grained sediments in Capitol Lake. Cores at several sites throughout Capitol Lake were collected between October 31 and November 1, 2007. The erodibility of sediments in the cores was later determined in the

  6. Modeling Structural Brain Connectivity

    DEFF Research Database (Denmark)

    Ambrosen, Karen Marie Sandø

    The human brain consists of a gigantic complex network of interconnected neurons. Together all these connections determine who we are, how we react and how we interpret the world. Knowledge about how the brain is connected can further our understanding of the brain’s structural organization, help...... improve diagnosis, and potentially allow better treatment of a wide range of neurological disorders. Tractography based on diffusion magnetic resonance imaging is a unique tool to estimate this “structural connectivity” of the brain non-invasively and in vivo. During the last decade, brain connectivity...... has increasingly been analyzed using graph theoretic measures adopted from network science and this characterization of the brain’s structural connectivity has been shown to be useful for the classification of populations, such as healthy and diseased subjects. The structural connectivity of the brain...

  7. An evaluation of a paediatric radiation oncology teaching programme incorporating a SCORPIO teaching model.

    Science.gov (United States)

    Ahern, Verity; Klein, Linda; Bentvelzen, Adam; Garlan, Karen; Jeffery, Heather

    2011-04-01

    Many radiation oncology registrars have no exposure to paediatrics during their training. To address this, the Paediatric Special Interest Group of the Royal Australian and New Zealand College of Radiologists has convened a biennial teaching course since 1997. The 2009 course incorporated the use of a Structured, Clinical, Objective-Referenced, Problem-orientated, Integrated and Organized (SCORPIO) teaching model for small group tutorials. This study evaluates whether the paediatric radiation oncology curriculum can be adapted to the SCORPIO teaching model and to evaluate the revised course from the registrars' perspective. Teaching and learning resources included a pre-course reading list, a lecture series programme and a SCORPIO workshop. Three evaluation instruments were developed: an overall Course Evaluation Survey for all participants, a SCORPIO Workshop Survey for registrars and a Teacher's SCORPIO Workshop Survey. Forty-five radiation oncology registrars, 14 radiation therapists and five paediatric oncology registrars attended. Seventy-three per cent (47/64) of all participants completed the Course Evaluation Survey and 95% (38/40) of registrars completed the SCORPIO Workshop Survey. All teachers completed the Teacher's SCORPIO Survey (10/10). The overall educational experience was rated as good or excellent by 93% (43/47) of respondents. Ratings of satisfaction with lecture sessions were predominantly good or excellent. Registrars gave the SCORPIO workshop high ratings on each of 10 aspects of quality, with 82% allocating an excellent rating overall for the SCORPIO activity. Both registrars and teachers recommended more time for the SCORPIO stations. The 2009 course met the educational needs of the radiation oncology registrars and the SCORPIO workshop was a highly valued educational component. © 2011 The Authors. Journal of Medical Imaging and Radiation Oncology © 2011 The Royal Australian and New Zealand College of Radiologists.

  8. Oscillating water column structural model

    Energy Technology Data Exchange (ETDEWEB)

    Copeland, Guild [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bull, Diana L [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Jepsen, Richard Alan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gordon, Margaret Ellen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2014-09-01

    An oscillating water column (OWC) wave energy converter is a structure with an opening to the ocean below the free surface, i.e. a structure with a moonpool. Two structural models for a non-axisymmetric terminator design OWC, the Backward Bent Duct Buoy (BBDB) are discussed in this report. The results of this structural model design study are intended to inform experiments and modeling underway in support of the U.S. Department of Energy (DOE) initiated Reference Model Project (RMP). A detailed design developed by Re Vision Consulting used stiffeners and girders to stabilize the structure against the hydrostatic loads experienced by a BBDB device. Additional support plates were added to this structure to account for loads arising from the mooring line attachment points. A simplified structure was designed in a modular fashion. This simplified design allows easy alterations to the buoyancy chambers and uncomplicated analysis of resulting changes in buoyancy.

  9. GeO2/Ge structure submitted to annealing in deuterium: Incorporation pathways and associated oxide modifications

    Science.gov (United States)

    Bom, N. M.; Soares, G. V.; Hartmann, S.; Bordin, A.; Radtke, C.

    2014-10-01

    Deuterium (D) incorporation in GeO2/Ge structures following D2 annealing was investigated. Higher D concentrations were obtained for GeO2/Ge samples in comparison to their SiO2/Si counterparts annealed in the same conditions. Oxygen vacancies produced during the annealing step in D2 constitute defect sites for D incorporation, analogous to defects at the SiO2/Si interfacial region. Besides D incorporation, volatilization of the oxide layer is also observed as a consequence of D2 annealing, especially in the high temperature regime of the present study (>450 °C). In parallel to this volatilization, the stoichiometry and chemical structure of remnant oxide are modified as well. These results evidence the broader impact of forming gas annealing in dielectric/Ge structures with respect to SiO2/Si counterparts.

  10. Synthesis of nickel-incorporated larch-based carbon membranes with controllable porous structure for gas separation

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Xin; Li, Wei; Huang, Zhanhua; Liu, Shouxin, E-mail: chemist@126.com, E-mail: liushouxin@126.com [Northeast Forestry University, College of Material Science and Engineering (China)

    2015-11-15

    Ni-incorporated larch-based carbon membranes have been synthesized by introducing the Ni(NO{sub 3}){sub 2} into the liquefied larch using liquefied larch sawdust as precursors and F127 as the soft template. The porous structure can be tailored by the amount of Ni(NO{sub 3}){sub 2}, and the Ni and NiO nanoparticles with a size of 10 nm incorporated in the carbon frameworks. The increase in Ni(NO{sub 3}){sub 2} content can lead to the formation of disordered porous structure and shrinkage of carbon frameworks. The Ni-incorporated carbon membranes with largest pores possess highest gas permeation for N{sub 2}, CO{sub 2}, and O{sub 2} of 37.5, 19.8, and 55.5 m{sup 3} cm/m{sup 2} h kPa, which is larger than that of the pure carbon membranes, respectively. However, the poor ordered porous structure caused by adding large amount of Ni(NO{sub 3}){sub 2} can reduce the gas separation performance, which is attributed to the weaken of the molecular sieve function. The results indicate that the incorporation of few nanoparticles into larch-based carbon membranes can improve molecular sieve function.Graphical abstractNi-incorporated larch-based carbon membranes have been synthesized by introducing the Ni(NO{sub 3}){sub 2} into the liquefied larch. The porous structure can be tailored by the amount of Ni(NO{sub 3}){sub 2}, and the Ni and NiO nanoparticles incorporated in the carbon frameworks. The Ni-incorporated carbon membranes with largest pores possess highest gas permeation and gas permseparation.

  11. A climatological model for risk computations incorporating site- specific dry deposition influences

    International Nuclear Information System (INIS)

    Droppo, J.G. Jr.

    1991-07-01

    A gradient-flux dry deposition module was developed for use in a climatological atmospheric transport model, the Multimedia Environmental Pollutant Assessment System (MEPAS). The atmospheric pathway model computes long-term average contaminant air concentration and surface deposition patterns surrounding a potential release site incorporating location-specific dry deposition influences. Gradient-flux formulations are used to incorporate site and regional data in the dry deposition module for this atmospheric sector-average climatological model. Application of these formulations provide an effective means of accounting for local surface roughness in deposition computations. Linkage to a risk computation module resulted in a need for separate regional and specific surface deposition computations. 13 refs., 4 figs., 2 tabs

  12. In silico investigation of the short QT syndrome, using human ventricle models incorporating electromechanical coupling

    Directory of Open Access Journals (Sweden)

    Ismail eAdeniran

    2013-07-01

    Full Text Available Introduction Genetic forms of the Short QT Syndrome (SQTS arise due to cardiac ion channel mutations leading to accelerated ventricular repolarisation, arrhythmias and sudden cardiac death. Results from experimental and simulation studies suggest that changes to refractoriness and tissue vulnerability produce a substrate favourable to re-entry. Potential electromechanical consequences of the SQTS are less well understood. The aim of this study was to utilize electromechanically coupled human ventricle models to explore electromechanical consequences of the SQTS. Methods and results: The Rice et al. mechanical model was coupled to the ten Tusscher et al. ventricular cell model. Previously validated K+ channel formulations for SQT variants 1 and 3 were incorporated. Functional effects of the SQTS mutations on transients, sarcomere length shortening and contractile force at the single cell level were evaluated with and without the consideration of stretch activated channel current (Isac. Without Isac, the SQTS mutations produced dramatic reductions in the amplitude of transients, sarcomere length shortening and contractile force. When Isac was incorporated, there was a considerable attenuation of the effects of SQTS-associated action potential shortening on Ca2+ transients, sarcomere shortening and contractile force. Single cell models were then incorporated into 3D human ventricular tissue models. The timing of maximum deformation was delayed in the SQTS setting compared to control. Conclusion: The incorporation of Isac appears to be an important consideration in modelling functional effects of SQT 1 and 3 mutations on cardiac electro-mechanical coupling. Whilst there is little evidence of profoundly impaired cardiac contractile function in SQTS patients, our 3D simulations correlate qualitatively with reported evidence for dissociation between ventricular repolarization and the end of mechanical systole.

  13. Structural basis for proficient incorporation of dTTP opposite O6-methylguanine by human DNA polymerase iota.

    Science.gov (United States)

    Pence, Matthew G; Choi, Jeong-Yun; Egli, Martin; Guengerich, F Peter

    2010-12-24

    O(6)-methylguanine (O(6)-methylG) is highly mutagenic and is commonly found in DNA exposed to methylating agents, even physiological ones (e.g. S-adenosylmethionine). The efficiency of a truncated, catalytic DNA polymerase ι core enzyme was determined for nucleoside triphosphate incorporation opposite O(6)-methylG, using steady-state kinetic analyses. The results presented here corroborate previous work from this laboratory using full-length pol ι, which showed that dTTP incorporation occurs with high efficiency opposite O(6)-methylG. Misincorporation of dTTP opposite O(6)-methylG occurred with ∼6-fold higher efficiency than incorporation of dCTP. Crystal structures of the truncated form of pol ι with O(6)-methylG as the template base and incoming dCTP or dTTP were solved and showed that O(6)-methylG is rotated into the syn conformation in the pol ι active site and that dTTP misincorporation by pol ι is the result of Hoogsteen base pairing with the adduct. Both dCTP and dTTP base paired with the Hoogsteen edge of O(6)-methylG. A single, short hydrogen bond formed between the N3 atom of dTTP and the N7 atom of O(6)-methylG. Protonation of the N3 atom of dCTP and bifurcation of the N3 hydrogen between the N7 and O(6) atoms of O(6)-methylG allow base pairing of the lesion with dCTP. We conclude that differences in the Hoogsteen hydrogen bonding between nucleotides is the main factor in the preferential selectivity of dTTP opposite O(6)-methylG by human pol ι, in contrast to the mispairing modes observed previously for O(6)-methylG in the structures of the model DNA polymerases Sulfolobus solfataricus Dpo4 and Bacillus stearothermophilus DNA polymerase I.

  14. Improving Watershed-Scale Hydrodynamic Models by Incorporating Synthetic 3D River Bathymetry Network

    Science.gov (United States)

    Dey, S.; Saksena, S.; Merwade, V.

    2017-12-01

    Digital Elevation Models (DEMs) have an incomplete representation of river bathymetry, which is critical for simulating river hydrodynamics in flood modeling. Generally, DEMs are augmented with field collected bathymetry data, but such data are available only at individual reaches. Creating a hydrodynamic model covering an entire stream network in the basin requires bathymetry for all streams. This study extends a conceptual bathymetry model, River Channel Morphology Model (RCMM), to estimate the bathymetry for an entire stream network for application in hydrodynamic modeling using a DEM. It is implemented at two large watersheds with different relief and land use characterizations: coastal Guadalupe River basin in Texas with flat terrain and a relatively urban White River basin in Indiana with more relief. After bathymetry incorporation, both watersheds are modeled using HEC-RAS (1D hydraulic model) and Interconnected Pond and Channel Routing (ICPR), a 2-D integrated hydrologic and hydraulic model. A comparison of the streamflow estimated by ICPR at the outlet of the basins indicates that incorporating bathymetry influences streamflow estimates. The inundation maps show that bathymetry has a higher impact on flat terrains of Guadalupe River basin when compared to the White River basin.

  15. Incorporating Psychological Predictors of Treatment Response into Health Economic Simulation Models: A Case Study in Type 1 Diabetes.

    Science.gov (United States)

    Kruger, Jen; Pollard, Daniel; Basarir, Hasan; Thokala, Praveen; Cooke, Debbie; Clark, Marie; Bond, Rod; Heller, Simon; Brennan, Alan

    2015-10-01

    . Health economic modeling has paid limited attention to the effects that patients' psychological characteristics have on the effectiveness of treatments. This case study tests 1) the feasibility of incorporating psychological prediction models of treatment response within an economic model of type 1 diabetes, 2) the potential value of providing treatment to a subgroup of patients, and 3) the cost-effectiveness of providing treatment to a subgroup of responders defined using 5 different algorithms. . Multiple linear regressions were used to investigate relationships between patients' psychological characteristics and treatment effectiveness. Two psychological prediction models were integrated with a patient-level simulation model of type 1 diabetes. Expected value of individualized care analysis was undertaken. Five different algorithms were used to provide treatment to a subgroup of predicted responders. A cost-effectiveness analysis compared using the algorithms to providing treatment to all patients. . The psychological prediction models had low predictive power for treatment effectiveness. Expected value of individualized care results suggested that targeting education at responders could be of value. The cost-effectiveness analysis suggested, for all 5 algorithms, that providing structured education to a subgroup of predicted responders would not be cost-effective. . The psychological prediction models tested did not have sufficient predictive power to make targeting treatment cost-effective. The psychological prediction models are simple linear models of psychological behavior. Collection of data on additional covariates could potentially increase statistical power. . By collecting data on psychological variables before an intervention, we can construct predictive models of treatment response to interventions. These predictive models can be incorporated into health economic models to investigate more complex service delivery and reimbursement strategies.

  16. Hair analysis for drugs of abuse. XIII. Effect of structural factors on incorporation of drugs into hair: the incorporation rates of amphetamine analogs.

    Science.gov (United States)

    Nakahara, Y; Kikura, R

    1996-01-01

    In order to clarify the incorporation mechanism of drugs from blood into hair, seven effects of structural factors on the incorporation rate (ICR) were studied using 32 amphetamine analogs: (1) effect of a straight chained N-alkyl group; (2) effect of benzene and furan ring at N-position; (3) effect of aliphatic and aromatic hydroxy groups; (4) effect of triple bond group at N-position; (5) effect of N-acyl group and ketone group; (6) effect of methylenedioxy and methoxy groups on benzene ring; and (7) comparison between phenyltertiarybutylamines and phenylisopropylamines. After shaving the back hair and i.p. administration of drugs to Dark-Agouti rats (5 mg/kg, 10 days, n = 3), the areas under the concentration versus time curve (AUCs) of drugs in the plasma and the concentrations in hair newly grown for 4 weeks were determined by gas chromatography-mass spectrometry. The ICRs represented by the ratios of hair concentrations to AUCs were compared with those of amphetamine (AP) and methamphetamine (MA). The ICRs of N-alkyl AP increased depending on the length of carbon branches from proton to propyl (C3 > C2 > C1 > H) at N-position. The compounds containing a benzene or furan ring at the N-position (benzphetamine, clobenzorex, norbenzphetamine, prenylamine, furfenorex, and norfurfenorex) had much higher ICRs than those of AP or MA, suggesting that a benzene or furan ring increases their ICRs. The ICRs of deprenyl, nordeprenyl, and fenproporex were significantly low, implying that triple bonds such as of a propargyl or cyano group serve as a negative factor for the ICRs. An ephedrine group (ephedrine, methylephedrine, phenylpropanolamine) showed slightly lower ICRs than the corresponding amphetamine group. However, a hydroxy group on benzene ring apparently decreased the ICRs. Methoxy and methylenedioxy groups on benzene ring distinctly increased their ICRs. The lack of basicity such as N-formyl MA, N-acetyl AP, and N-acetyl MA dramatically lowered their ICRs to

  17. Incorporation of human factors into ship collision risk models focusing on human centred design aspects

    International Nuclear Information System (INIS)

    Sotiralis, P.; Ventikos, N.P.; Hamann, R.; Golyshev, P.; Teixeira, A.P.

    2016-01-01

    This paper presents an approach that more adequately incorporates human factor considerations into quantitative risk analysis of ship operation. The focus is on the collision accident category, which is one of the main risk contributors in ship operation. The approach is based on the development of a Bayesian Network (BN) model that integrates elements from the Technique for Retrospective and Predictive Analysis of Cognitive Errors (TRACEr) and focuses on the calculation of the collision accident probability due to human error. The model takes into account the human performance in normal, abnormal and critical operational conditions and implements specific tasks derived from the analysis of the task errors leading to the collision accident category. A sensitivity analysis is performed to identify the most important contributors to human performance and ship collision. Finally, the model developed is applied to assess the collision risk of a feeder operating in Dover strait using the collision probability estimated by the developed BN model and an Event tree model for calculation of human, economic and environmental risks. - Highlights: • A collision risk model for the incorporation of human factors into quantitative risk analysis is proposed. • The model takes into account the human performance in different operational conditions leading to the collision. • The most important contributors to human performance and ship collision are identified. • The model developed is applied to assess the collision risk of a feeder operating in Dover strait.

  18. Modeling fraud detection and the incorporation of forensic specialists in the audit process

    DEFF Research Database (Denmark)

    Sakalauskaite, Dominyka

    Financial statement audits are still comparatively poor in fraud detection. Forensic specialists can play a significant role in increasing audit quality. In this paper, based on prior academic research, I develop a model of fraud detection and the incorporation of forensic specialists in the audit...... process. The intention of the model is to identify the reasons why the audit is weak in fraud detection and to provide the analytical framework to assess whether the incorporation of forensic specialists can help to improve it. The results show that such specialists can potentially improve the fraud...... detection in the audit, but might also cause some negative implications. Overall, even though fraud detection is one of the main topics in research there are very few studies done on the subject of how auditors co-operate with forensic specialists. Thus, the paper concludes with suggestions for further...

  19. Gold Incorporated Mesoporous Silica Thin Film Model Surface as a Robust SERS and Catalytically Active Substrate

    Directory of Open Access Journals (Sweden)

    Anandakumari Chandrasekharan Sunil Sekhar

    2016-05-01

    Full Text Available Ultra-small gold nanoparticles incorporated in mesoporous silica thin films with accessible pore channels perpendicular to the substrate are prepared by a modified sol-gel method. The simple and easy spin coating technique is applied here to make homogeneous thin films. The surface characterization using FESEM shows crack-free films with a perpendicular pore arrangement. The applicability of these thin films as catalysts as well as a robust SERS active substrate for model catalysis study is tested. Compared to bare silica film our gold incorporated silica, GSM-23F gave an enhancement factor of 103 for RhB with a laser source 633 nm. The reduction reaction of p-nitrophenol with sodium borohydride from our thin films shows a decrease in peak intensity corresponding to –NO2 group as time proceeds, confirming the catalytic activity. Such model surfaces can potentially bridge the material gap between a real catalytic system and surface science studies.

  20. Selective kappa-opioid agonists: synthesis and structure-activity relationships of piperidines incorporating on oxo-containing acyl group.

    Science.gov (United States)

    Giardina, G; Clarke, G D; Dondio, G; Petrone, G; Sbacchi, M; Vecchietti, V

    1994-10-14

    This study describes the synthesis and the structure-activity relationships (SARs) of the (S)-(-)-enantiomers of a novel class of 2-(aminomethyl)piperidine derivatives, using kappa-opioid binding affinity and antinociceptive potency as the indices of biological activity. Compounds incorporating the 1-tetralon-6-ylacetyl residue (30 and 34-45) demonstrated an in vivo antinociceptive activity greater than predicted on the basis of their kappa-binding affinities. In particular, (2S)-2-[(dimethylamino)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2- naphthyl)acetyl]piperidine (34) was found to have a potency similar to spiradoline in animal models of antinociception after subcutaneous administration, with ED50s of 0.47 and 0.73 mumol/kg in the mouse and in the rat abdominal constriction tests, respectively. Further in vivo studies in mice and/or rats revealed that compound 34, compared to other selective kappa-agonists, has a reduced propensity to cause a number of kappa-related side effects, including locomotor impairment/sedation and diuresis, at antinociceptive doses. For example, it has an ED50 of 26.5 mumol/kg sc in the rat rotarod model, exhibiting a ratio of locomotor impairment/sedation vs analgesia of 36. Possible reasons for this differential activity and its clinical consequence are discussed.

  1. Using structured decision making with landowners to address private forest management and parcelization: balancing multiple objectives and incorporating uncertainty

    Science.gov (United States)

    Paige F. B. Ferguson; Michael J. Conroy; John F. Chamblee; Jeffrey Hepinstall-Cymerman

    2015-01-01

    Parcelization and forest fragmentation are of concern for ecological, economic, and social reasons. Efforts to keep large, private forests intact may be supported by a decision-making process that incorporates landowners’ objectives and uncertainty. We used structured decision making (SDM) with owners of large, private forests in Macon County, North Carolina....

  2. Computer calculation of neutron cross sections with Hauser-Feshbach code STAPRE incorporating the hybrid pre-compound emission model

    International Nuclear Information System (INIS)

    Ivascu, M.

    1983-10-01

    Computer codes incorporating advanced nuclear models (optical, statistical and pre-equilibrium decay nuclear reaction models) were used to calculate neutron cross sections needed for fusion reactor technology. The elastic and inelastic scattering (n,2n), (n,p), (n,n'p), (n,d) and (n,γ) cross sections for stable molybdenum isotopes Mosup(92,94,95,96,97,98,100) and incident neutron energy from about 100 keV or a threshold to 20 MeV were calculated using the consistent set of input parameters. The hydrogen production cross section which determined the radiation damage in structural materials of fusion reactors can be simply deduced from the presented results. The more elaborated microscopic models of nuclear level density are required for high accuracy calculations

  3. Effects of low intensity pulsed ultrasound with and without increased cortical porosity on structural bone allograft incorporation

    Directory of Open Access Journals (Sweden)

    Ehrhart Nicole

    2008-05-01

    Full Text Available Abstract Background Though used for over a century, structural bone allografts suffer from a high rate of mechanical failure due to limited graft revitalization even after extended periods in vivo. Novel strategies that aim to improve graft incorporation are lacking but necessary to improve the long-term clinical outcome of patients receiving bone allografts. The current study evaluated the effect of low-intensity pulsed ultrasound (LIPUS, a potent exogenous biophysical stimulus used clinically to accelerate the course of fresh fracture healing, and longitudinal allograft perforations (LAP as non-invasive therapies to improve revitalization of intercalary allografts in a sheep model. Methods Fifteen skeletally-mature ewes were assigned to five experimental groups based on allograft type and treatment: +CTL, -CTL, LIPUS, LAP, LIPUS+LAP. The +CTL animals (n = 3 received a tibial ostectomy with immediate replacement of the resected autologous graft. The -CTL group (n = 3 received fresh frozen ovine tibial allografts. The +CTL and -CTL groups did not receive LAP or LIPUS treatments. The LIPUS treatment group (n = 3, following grafting with fresh frozen ovine tibial allografts, received ultrasound stimulation for 20 minutes/day, 5 days/week, for the duration of the healing period. The LAP treatment group (n = 3 received fresh frozen ovine allografts with 500 μm longitudinal perforations that extended 10 mm into the graft. The LIPUS+LAP treatment group (n = 3 received both LIPUS and LAP interventions. All animals were humanely euthanized four months following graft transplantation for biomechanical and histological analysis. Results After four months of healing, daily LIPUS stimulation of the host-allograft junctions, alone or in combination with LAP, resulted in 30% increases in reconstruction stiffness, paralleled by significant increases (p Conclusion The current study has demonstrated in a large animal model the potential of both LIPUS and LAP

  4. Semi-active control for vibration mitigation of structural systems incorporating uncertainties

    International Nuclear Information System (INIS)

    Miah, Mohammad S; Chatzi, Eleni N; Weber, Felix

    2015-01-01

    This study introduces a novel semi-active control scheme, where the linear-quadratic regulator (LQR) is combined with an unscented Kalman filter (UKF) observer, for the real-time mitigation of structural vibration. Due to a number of factors, such as environmental effects and ageing processes, the controlled system may be characterized by uncertainties. The UKF, which comprises a nonlinear observer, is employed herein for devising an adaptive semi-active control scheme capable of tackling such a challenge. This is achieved through the real-time realization of joint state and parameter estimation during the structural control process via the proposed LQR-UKF approach. The behavior of the introduced scheme is exemplified through two numerical applications. The efficacy of the devised methodology is firstly compared against the standard LQR-KF approach in a linear benchmark application where the system model is assumed known a priori, and secondly, the method is validated on a joint state and parameter estimation problem where the system model is assumed uncertain, formulated as nonlinear, and updated in real-time. (paper)

  5. Incorporation of stochastic engineering models as prior information in Bayesian medical device trials.

    Science.gov (United States)

    Haddad, Tarek; Himes, Adam; Thompson, Laura; Irony, Telba; Nair, Rajesh

    2017-01-01

    Evaluation of medical devices via clinical trial is often a necessary step in the process of bringing a new product to market. In recent years, device manufacturers are increasingly using stochastic engineering models during the product development process. These models have the capability to simulate virtual patient outcomes. This article presents a novel method based on the power prior for augmenting a clinical trial using virtual patient data. To properly inform clinical evaluation, the virtual patient model must simulate the clinical outcome of interest, incorporating patient variability, as well as the uncertainty in the engineering model and in its input parameters. The number of virtual patients is controlled by a discount function which uses the similarity between modeled and observed data. This method is illustrated by a case study of cardiac lead fracture. Different discount functions are used to cover a wide range of scenarios in which the type I error rates and power vary for the same number of enrolled patients. Incorporation of engineering models as prior knowledge in a Bayesian clinical trial design can provide benefits of decreased sample size and trial length while still controlling type I error rate and power.

  6. A code reviewer assignment model incorporating the competence differences and participant preferences

    Directory of Open Access Journals (Sweden)

    Wang Yanqing

    2016-03-01

    Full Text Available A good assignment of code reviewers can effectively utilize the intellectual resources, assure code quality and improve programmers’ skills in software development. However, little research on reviewer assignment of code review has been found. In this study, a code reviewer assignment model is created based on participants’ preference to reviewing assignment. With a constraint of the smallest size of a review group, the model is optimized to maximize review outcomes and avoid the negative impact of “mutual admiration society”. This study shows that the reviewer assignment strategies incorporating either the reviewers’ preferences or the authors’ preferences get much improvement than a random assignment. The strategy incorporating authors’ preference makes higher improvement than that incorporating reviewers’ preference. However, when the reviewers’ and authors’ preference matrixes are merged, the improvement becomes moderate. The study indicates that the majority of the participants have a strong wish to work with reviewers and authors having highest competence. If we want to satisfy the preference of both reviewers and authors at the same time, the overall improvement of learning outcomes may be not the best.

  7. Incorporation of Markov reliability models for digital instrumentation and control systems into existing PRAs

    International Nuclear Information System (INIS)

    Bucci, P.; Mangan, L. A.; Kirschenbaum, J.; Mandelli, D.; Aldemir, T.; Arndt, S. A.

    2006-01-01

    Markov models have the ability to capture the statistical dependence between failure events that can arise in the presence of complex dynamic interactions between components of digital instrumentation and control systems. One obstacle to the use of such models in an existing probabilistic risk assessment (PRA) is that most of the currently available PRA software is based on the static event-tree/fault-tree methodology which often cannot represent such interactions. We present an approach to the integration of Markov reliability models into existing PRAs by describing the Markov model of a digital steam generator feedwater level control system, how dynamic event trees (DETs) can be generated from the model, and how the DETs can be incorporated into an existing PRA with the SAPHIRE software. (authors)

  8. Effect of nitrogen incorporation on the structural, optical and dielectric properties of reactive sputter grown ITO films

    Energy Technology Data Exchange (ETDEWEB)

    Gartner, M.; Stroescu, H. [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Marin, A., E-mail: alexmarin@icf.ro [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Osiceanu, P. [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Anastasescu, M., E-mail: manastasescu@icf.ro [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Stoica, M.; Nicolescu, M.; Duta, M.; Preda, S. [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Aperathitis, E.; Pantazis, A.; Kampylafka, V. [FORTH-IESL, Crete (Greece); Modreanu, M. [Tyndall National Institute, University College Cork, Cork (Ireland); Zaharescu, M. [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania)

    2014-09-15

    Highlights: • Graded optical model for ITON films is presented. • ITON thin films retain an amorphous structure even after RTA at 500 °C in N{sub 2} ambient. • The lowest resistivity was 2 × 10{sup −3} Ω cm for films deposited in 75%N{sub 2} and RTA at 500 °C. • Films deposited in 75% N{sub 2} and RTA at 500 °C have degenerate semiconductor behavior. • Chemical composition before and after RTA has been analyzed by XPS depth profiling. - Abstract: The changes in the optical, microstructural and electrical properties, following the nitrogen incorporation into indium tin oxide thin films are investigated. The films are formed by r.f. sputtering from an indium-tin-oxide (80% In{sub 2}O{sub 3}–20% SnO{sub 2}) target in a mixture of Ar and N{sub 2} plasma (75% N{sub 2}–25% Ar and 100% N{sub 2} respectively) on fused silica glass substrate. The impact of rapid thermal annealing (up to 500 °C, in N{sub 2} ambient) on the properties of indium tin oxynitride (ITON) thin films is also reported. The UV–vis–NIR ellipsometry (SE) characterization of ITON films was performed assuming several realistic approaches based on various oscillator models, using a chemical composition gradient depth profiling, in agreement with the X-ray photoelectron spectroscopy measurements. The Hall measurements show that the ITON films prepared by r.f. sputtering in 75% N{sub 2} and annealed at 500 °C behave as degenerate semiconductors. X-ray diffraction analysis proved that ITON thin films retain an amorphous structure even after RTA at 500 °C in N{sub 2} ambient and atomic force microscopy showed the formation of continuous and smooth ITON thin films, with a morphology consisting in quasispherical nanometric particles.

  9. Global dynamics of a PDE model for aedes aegypti mosquitoe incorporating female sexual preference

    KAUST Repository

    Parshad, Rana

    2011-01-01

    In this paper we study the long time dynamics of a reaction diffusion system, describing the spread of Aedes aegypti mosquitoes, which are the primary cause of dengue infection. The system incorporates a control attempt via the sterile insect technique. The model incorporates female mosquitoes sexual preference for wild males over sterile males. We show global existence of strong solution for the system. We then derive uniform estimates to prove the existence of a global attractor in L-2(Omega), for the system. The attractor is shown to be L-infinity(Omega) regular and posess state of extinction, if the injection of sterile males is large enough. We also provide upper bounds on the Hausdorff and fractal dimensions of the attractor.

  10. Synthesis of nickel-incorporated larch-based carbon membranes with controllable porous structure for gas separation

    Science.gov (United States)

    Zhao, Xin; Li, Wei; Huang, Zhanhua; Liu, Shouxin

    2015-11-01

    Ni-incorporated larch-based carbon membranes have been synthesized by introducing the Ni(NO3)2 into the liquefied larch using liquefied larch sawdust as precursors and F127 as the soft template. The porous structure can be tailored by the amount of Ni(NO3)2, and the Ni and NiO nanoparticles with a size of 10 nm incorporated in the carbon frameworks. The increase in Ni(NO3)2 content can lead to the formation of disordered porous structure and shrinkage of carbon frameworks. The Ni-incorporated carbon membranes with largest pores possess highest gas permeation for N2, CO2, and O2 of 37.5, 19.8, and 55.5 m3 cm/m2 h kPa, which is larger than that of the pure carbon membranes, respectively. However, the poor ordered porous structure caused by adding large amount of Ni(NO3)2 can reduce the gas separation performance, which is attributed to the weaken of the molecular sieve function. The results indicate that the incorporation of few nanoparticles into larch-based carbon membranes can improve molecular sieve function.

  11. A Novel Approach of Understanding and Incorporating Error of Chemical Transport Models into a Geostatistical Framework

    Science.gov (United States)

    Reyes, J.; Vizuete, W.; Serre, M. L.; Xu, Y.

    2015-12-01

    The EPA employs a vast monitoring network to measure ambient PM2.5 concentrations across the United States with one of its goals being to quantify exposure within the population. However, there are several areas of the country with sparse monitoring spatially and temporally. One means to fill in these monitoring gaps is to use PM2.5 modeled estimates from Chemical Transport Models (CTMs) specifically the Community Multi-scale Air Quality (CMAQ) model. CMAQ is able to provide complete spatial coverage but is subject to systematic and random error due to model uncertainty. Due to the deterministic nature of CMAQ, often these uncertainties are not quantified. Much effort is employed to quantify the efficacy of these models through different metrics of model performance. Currently evaluation is specific to only locations with observed data. Multiyear studies across the United States are challenging because the error and model performance of CMAQ are not uniform over such large space/time domains. Error changes regionally and temporally. Because of the complex mix of species that constitute PM2.5, CMAQ error is also a function of increasing PM2.5 concentration. To address this issue we introduce a model performance evaluation for PM2.5 CMAQ that is regionalized and non-linear. This model performance evaluation leads to error quantification for each CMAQ grid. Areas and time periods of error being better qualified. The regionalized error correction approach is non-linear and is therefore more flexible at characterizing model performance than approaches that rely on linearity assumptions and assume homoscedasticity of CMAQ predictions errors. Corrected CMAQ data are then incorporated into the modern geostatistical framework of Bayesian Maximum Entropy (BME). Through cross validation it is shown that incorporating error-corrected CMAQ data leads to more accurate estimates than just using observed data by themselves.

  12. Structural dynamic modifications via models

    Indian Academy of Sciences (India)

    The study shows that as many as half of the matrix ... the dynamicist's analytical modelling skill which would appear both in the numerator as. Figure 2. ..... Brandon J A 1990 Strategies for structural dynamic modification (New York: John Wiley).

  13. Structure-Based Turbulence Model

    National Research Council Canada - National Science Library

    Reynolds, W

    2000-01-01

    .... Maire carried out this work as part of his Phi) research. During the award period we began to explore ways to simplify the structure-based modeling so that it could be used in repetitive engineering calculations...

  14. Probabilistic modeling of timber structures

    DEFF Research Database (Denmark)

    Köhler, Jochen; Sørensen, John Dalsgaard; Faber, Michael Havbro

    2007-01-01

    The present paper contains a proposal for the probabilistic modeling of timber material properties. It is produced in the context of the Probabilistic Model Code (PMC) of the Joint Committee on Structural Safety (JCSS) [Joint Committee of Structural Safety. Probabilistic Model Code, Internet...... Publication: www.jcss.ethz.ch; 2001] and of the COST action E24 ‘Reliability of Timber Structures' [COST Action E 24, Reliability of timber structures. Several meetings and Publications, Internet Publication: http://www.km.fgg.uni-lj.si/coste24/coste24.htm; 2005]. The present proposal is based on discussions...... and comments from participants of the COST E24 action and the members of the JCSS. The paper contains a description of the basic reference properties for timber strength parameters and ultimate limit state equations for timber components. The recommended probabilistic model for these basic properties...

  15. Temporal structures in shell models

    DEFF Research Database (Denmark)

    Okkels, F.

    2001-01-01

    The intermittent dynamics of the turbulent Gledzer, Ohkitani, and Yamada shell-model is completely characterized by a single type of burstlike structure, which moves through the shells like a front. This temporal structure is described by the dynamics of the instantaneous configuration of the shell...

  16. Structuring very large domain models

    DEFF Research Database (Denmark)

    Störrle, Harald

    2010-01-01

    View/Viewpoint approaches like IEEE 1471-2000, or Kruchten's 4+1-view model are used to structure software architectures at a high level of granularity. While research has focused on architectural languages and with consistency between multiple views, practical questions such as the structuring a...

  17. Modeling water scarcity over south Asia: Incorporating crop growth and irrigation models into the Variable Infiltration Capacity (VIC) model

    Science.gov (United States)

    Troy, Tara J.; Ines, Amor V. M.; Lall, Upmanu; Robertson, Andrew W.

    2013-04-01

    Large-scale hydrologic models, such as the Variable Infiltration Capacity (VIC) model, are used for a variety of studies, from drought monitoring to projecting the potential impact of climate change on the hydrologic cycle decades in advance. The majority of these models simulates the natural hydrological cycle and neglects the effects of human activities such as irrigation, which can result in streamflow withdrawals and increased evapotranspiration. In some parts of the world, these activities do not significantly affect the hydrologic cycle, but this is not the case in south Asia where irrigated agriculture has a large water footprint. To address this gap, we incorporate a crop growth model and irrigation model into the VIC model in order to simulate the impacts of irrigated and rainfed agriculture on the hydrologic cycle over south Asia (Indus, Ganges, and Brahmaputra basin and peninsular India). The crop growth model responds to climate signals, including temperature and water stress, to simulate the growth of maize, wheat, rice, and millet. For the primarily rainfed maize crop, the crop growth model shows good correlation with observed All-India yields (0.7) with lower correlations for the irrigated wheat and rice crops (0.4). The difference in correlation is because irrigation provides a buffer against climate conditions, so that rainfed crop growth is more tied to climate than irrigated crop growth. The irrigation water demands induce hydrologic water stress in significant parts of the region, particularly in the Indus, with the streamflow unable to meet the irrigation demands. Although rainfall can vary significantly in south Asia, we find that water scarcity is largely chronic due to the irrigation demands rather than being intermittent due to climate variability.

  18. Fatgraph models of RNA structure

    Directory of Open Access Journals (Sweden)

    Huang Fenix

    2017-01-01

    Full Text Available In this review paper we discuss fatgraphs as a conceptual framework for RNA structures. We discuss various notions of coarse-grained RNA structures and relate them to fatgraphs.We motivate and discuss the main intuition behind the fatgraph model and showcase its applicability to canonical as well as noncanonical base pairs. Recent discoveries regarding novel recursions of pseudoknotted (pk configurations as well as their translation into context-free grammars for pk-structures are discussed. This is shown to allow for extending the concept of partition functions of sequences w.r.t. a fixed structure having non-crossing arcs to pk-structures. We discuss minimum free energy folding of pk-structures and combine these above results outlining how to obtain an inverse folding algorithm for PK structures.

  19. Investigation of structural transformations in surface layer of phosphate glasses incorporating radiactive wastes

    International Nuclear Information System (INIS)

    Aloj, A.S.; Kolycheva, T.I.; Trofimenko, A.V.; Shashukov, E.A.

    1985-01-01

    The objective of the paper was to clarify possibilities of detection of structural transformations initial stages on the surface of phosphate glasses using the method of infrared reflection spectroscopy. Phase composition of crystalline compounds formed in surface glass layer is determined by the method of X-ray diffraction. All experiments were performed using sodium alumophosphate glass comprising the model mixture of fission product of the following compostion (mass%): Na 2 O-22.0, Al 2 O 3 -14.0, P 2 O 5 -50.0, Fe 2 O 3 -3.5, Cs 2 O-3.5, SrO-3.0, Ln 2 O 3 -4.0, where Ln 2 O 3 is a mixture of cerium, lanthanum and europium oxides. Sample preparation were carried out by molten glass deposition on platinum forms 15mm in diameter and 4mm thick. Glasses were treated within the 600-400deg.C temperature range. Fixing of processes accompanied by structural transformations was accomplished the method of rapid cooling. It has been shown that phase transformations, taking place in investigated phosphate glasses under the action of heat, result in deterioration of chemical properties. Analysis of IR spectra has revealed that emergence of structural transformations in surface layer of investigated glasses results in variation of a ratio of 1060 and 1140cm - 1 reflection band intensities. Experimental dependences of the time of beginning of variation of 1060 and 1140cm - 1 bands relative intensity on temperature are presented. Insemilogarithmic coordinates this dependence has a straight line form within the 600-400 deg C temperature range and is desc ribed by the following formular: lg r=-7.41+5.70x10 3 x1/T, where r is the time of process beginning, h. Extrapolation of established to the region of low temperature is shown. Competence of such extrapolation may be confirmed in the course of further experiments

  20. Controlled structure and properties of silicate nanoparticle networks for incorporation of biosystem components

    International Nuclear Information System (INIS)

    Sakai-Kato, Kumiko; Kawanishi, Toru; Hasegawa, Toshiaki; Takaoka, Akio; Kato, Masaru; Toyo'oka, Toshimasa; Utsunomiya-Tate, Naoko

    2011-01-01

    Inorganic nanoparticles are of technological interest in many fields. We created silicate nanoparticle hydrogels that effectively incorporated biomolecules that are unstable and involved in complicated reactions. The size of the silicate nanoparticles strongly affected both the physical characteristics of the resulting hydrogel and the activity of biomolecules incorporated within the hydrogel. We used high-resolution transmission electron microscopy (TEM) to analyze in detail the hydrogel network patterns formed by the silicate nanoparticles. We obtained clear nanostructured images of biomolecule-nanoparticle composite hydrogels. The TEM images also showed that larger silicate nanoparticles (22 nm) formed more loosely associated silicate networks than did smaller silicate nanoparticles (7 nm). The loosely associated networks formed from larger silicate nanoparticles might facilitate substrate diffusion through the network, thus promoting the observed increased activity of the entrapped biomolecules. This doubled the activity of the incorporated biosystems compared with that of biosystems prepared by our own previously reported method. We propose a reaction scheme to explain the formation of the silicate nanoparticle networks. The successful incorporation of biomolecules into the nanoparticle hydrogels, along with the high level of activity exhibited by the biomolecules required for complicated reaction within the gels, demonstrates the nanocomposites' potential for use in medical applications.

  1. Investigations of incorporating source directivity into room acoustics computer models to improve auralizations

    Science.gov (United States)

    Vigeant, Michelle C.

    Room acoustics computer modeling and auralizations are useful tools when designing or modifying acoustically sensitive spaces. In this dissertation, the input parameter of source directivity has been studied in great detail to determine first its effect in room acoustics computer models and secondly how to better incorporate the directional source characteristics into these models to improve auralizations. To increase the accuracy of room acoustics computer models, the source directivity of real sources, such as musical instruments, must be included in the models. The traditional method for incorporating source directivity into room acoustics computer models involves inputting the measured static directivity data taken every 10° in a sphere-shaped pattern around the source. This data can be entered into the room acoustics software to create a directivity balloon, which is used in the ray tracing algorithm to simulate the room impulse response. The first study in this dissertation shows that using directional sources over an omni-directional source in room acoustics computer models produces significant differences both in terms of calculated room acoustics parameters and auralizations. The room acoustics computer model was also validated in terms of accurately incorporating the input source directivity. A recently proposed technique for creating auralizations using a multi-channel source representation has been investigated with numerous subjective studies, applied to both solo instruments and an orchestra. The method of multi-channel auralizations involves obtaining multi-channel anechoic recordings of short melodies from various instruments and creating individual channel auralizations. These auralizations are then combined to create a total multi-channel auralization. Through many subjective studies, this process was shown to be effective in terms of improving the realism and source width of the auralizations in a number of cases, and also modeling different

  2. A data-driven model for influenza transmission incorporating media effects.

    Science.gov (United States)

    Mitchell, Lewis; Ross, Joshua V

    2016-10-01

    Numerous studies have attempted to model the effect of mass media on the transmission of diseases such as influenza; however, quantitative data on media engagement has until recently been difficult to obtain. With the recent explosion of 'big data' coming from online social media and the like, large volumes of data on a population's engagement with mass media during an epidemic are becoming available to researchers. In this study, we combine an online dataset comprising millions of shared messages relating to influenza with traditional surveillance data on flu activity to suggest a functional form for the relationship between the two. Using this data, we present a simple deterministic model for influenza dynamics incorporating media effects, and show that such a model helps explain the dynamics of historical influenza outbreaks. Furthermore, through model selection we show that the proposed media function fits historical data better than other media functions proposed in earlier studies.

  3. Towards a functional model of mental disorders incorporating the laws of thermodynamics.

    Science.gov (United States)

    Murray, George C; McKenzie, Karen

    2013-05-01

    The current paper presents the hypothesis that the understanding of mental disorders can be advanced by incorporating the laws of thermodynamics, specifically relating to energy conservation and energy transfer. These ideas, along with the introduction of the notion that entropic activities are symptomatic of inefficient energy transfer or disorder, were used to propose a model of understanding mental ill health as resulting from the interaction of entropy, capacity and work (environmental demands). The model was applied to Attention Deficit Hyperactivity Disorder, and was shown to be compatible with current thinking about this condition, as well as emerging models of mental disorders as complex networks. A key implication of the proposed model is that it argues that all mental disorders require a systemic functional approach, with the advantage that it offers a number of routes into the assessment, formulation and treatment for mental health problems. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. Incorporating ligament laxity in a finite element model for the upper cervical spine.

    Science.gov (United States)

    Lasswell, Timothy L; Cronin, Duane S; Medley, John B; Rasoulinejad, Parham

    2017-11-01

    Predicting physiological range of motion (ROM) using a finite element (FE) model of the upper cervical spine requires the incorporation of ligament laxity. The effect of ligament laxity can be observed only on a macro level of joint motion and is lost once ligaments have been dissected and preconditioned for experimental testing. As a result, although ligament laxity values are recognized to exist, specific values are not directly available in the literature for use in FE models. The purpose of the current study is to propose an optimization process that can be used to determine a set of ligament laxity values for upper cervical spine FE models. Furthermore, an FE model that includes ligament laxity is applied, and the resulting ROM values are compared with experimental data for physiological ROM, as well as experimental data for the increase in ROM when a Type II odontoid fracture is introduced. The upper cervical spine FE model was adapted from a 50th percentile male full-body model developed with the Global Human Body Models Consortium (GHBMC). FE modeling was performed in LS-DYNA and LS-OPT (Livermore Software Technology Group) was used for ligament laxity optimization. Ordinate-based curve matching was used to minimize the mean squared error (MSE) between computed load-rotation curves and experimental load-rotation curves under flexion, extension, and axial rotation with pure moment loads from 0 to 3.5 Nm. Lateral bending was excluded from the optimization because the upper cervical spine was considered to be primarily responsible for flexion, extension, and axial rotation. Based on recommendations from the literature, four varying inputs representing laxity in select ligaments were optimized to minimize the MSE. Funding was provided by the Natural Sciences and Engineering Research Council of Canada as well as GHMBC. The present study was funded by the Natural Sciences and Engineering Research Council of Canada to support the work of one graduate student

  5. Incorporating microbiota data into epidemiologic models: examples from vaginal microbiota research.

    Science.gov (United States)

    van de Wijgert, Janneke H; Jespers, Vicky

    2016-05-01

    Next generation sequencing and quantitative polymerase chain reaction technologies are now widely available, and research incorporating these methods is growing exponentially. In the vaginal microbiota (VMB) field, most research to date has been descriptive. The purpose of this article is to provide an overview of different ways in which next generation sequencing and quantitative polymerase chain reaction data can be used to answer clinical epidemiologic research questions using examples from VMB research. We reviewed relevant methodological literature and VMB articles (published between 2008 and 2015) that incorporated these methodologies. VMB data have been analyzed using ecologic methods, methods that compare the presence or relative abundance of individual taxa or community compositions between different groups of women or sampling time points, and methods that first reduce the complexity of the data into a few variables followed by the incorporation of these variables into traditional biostatistical models. To make future VMB research more clinically relevant (such as studying associations between VMB compositions and clinical outcomes and the effects of interventions on the VMB), it is important that these methods are integrated with rigorous epidemiologic methods (such as appropriate study designs, sampling strategies, and adjustment for confounding). Crown Copyright © 2016. Published by Elsevier Inc. All rights reserved.

  6. Handbook of structural equation modeling

    CERN Document Server

    Hoyle, Rick H

    2012-01-01

    The first comprehensive structural equation modeling (SEM) handbook, this accessible volume presents both the mechanics of SEM and specific SEM strategies and applications. The editor, contributors, and editorial advisory board are leading methodologists who have organized the book to move from simpler material to more statistically complex modeling approaches. Sections cover the foundations of SEM; statistical underpinnings, from assumptions to model modifications; steps in implementation, from data preparation through writing the SEM report; and basic and advanced applications, inclu

  7. Teaching Genetic Counseling Skills: Incorporating a Genetic Counseling Adaptation Continuum Model to Address Psychosocial Complexity.

    Science.gov (United States)

    Shugar, Andrea

    2017-04-01

    Genetic counselors are trained health care professionals who effectively integrate both psychosocial counseling and information-giving into their practice. Preparing genetic counseling students for clinical practice is a challenging task, particularly when helping them develop effective and active counseling skills. Resistance to incorporating these skills may stem from decreased confidence, fear of causing harm or a lack of clarity of psycho-social goals. The author reflects on the personal challenges experienced in teaching genetic counselling students to work with psychological and social complexity, and proposes a Genetic Counseling Adaptation Continuum model and methodology to guide students in the use of advanced counseling skills.

  8. Incorporation of detailed eye model into polygon-mesh versions of ICRP-110 reference phantoms.

    Science.gov (United States)

    Nguyen, Thang Tat; Yeom, Yeon Soo; Kim, Han Sung; Wang, Zhao Jun; Han, Min Cheol; Kim, Chan Hyeong; Lee, Jai Ki; Zankl, Maria; Petoussi-Henss, Nina; Bolch, Wesley E; Lee, Choonsik; Chung, Beom Sun

    2015-11-21

    The dose coefficients for the eye lens reported in ICRP 2010 Publication 116 were calculated using both a stylized model and the ICRP-110 reference phantoms, according to the type of radiation, energy, and irradiation geometry. To maintain consistency of lens dose assessment, in the present study we incorporated the ICRP-116 detailed eye model into the converted polygon-mesh (PM) version of the ICRP-110 reference phantoms. After the incorporation, the dose coefficients for the eye lens were calculated and compared with those of the ICRP-116 data. The results showed generally a good agreement between the newly calculated lens dose coefficients and the values of ICRP 2010 Publication 116. Significant differences were found for some irradiation cases due mainly to the use of different types of phantoms. Considering that the PM version of the ICRP-110 reference phantoms preserve the original topology of the ICRP-110 reference phantoms, it is believed that the PM version phantoms, along with the detailed eye model, provide more reliable and consistent dose coefficients for the eye lens.

  9. Model for incorporating fuel swelling and clad shrinkage effects in diffusion theory calculations (LWBR Development Program)

    International Nuclear Information System (INIS)

    Schick, W.C. Jr.; Milani, S.; Duncombe, E.

    1980-03-01

    A model has been devised for incorporating into the thermal feedback procedure of the PDQ few-group diffusion theory computer program the explicit calculation of depletion and temperature dependent fuel-rod shrinkage and swelling at each mesh point. The model determines the effect on reactivity of the change in hydrogen concentration caused by the variation in coolant channel area as the rods contract and expand. The calculation of fuel temperature, and hence of Doppler-broadened cross sections, is improved by correcting the heat transfer coefficient of the fuel-clad gap for the effects of clad creep, fuel densification and swelling, and release of fission-product gases into the gap. An approximate calculation of clad stress is also included in the model

  10. A Fibrocontractive Mechanochemical Model of Dermal Wound Closure Incorporating Realistic Growth Factor Kinetics

    KAUST Repository

    Murphy, Kelly E.

    2012-01-13

    Fibroblasts and their activated phenotype, myofibroblasts, are the primary cell types involved in the contraction associated with dermal wound healing. Recent experimental evidence indicates that the transformation from fibroblasts to myofibroblasts involves two distinct processes: The cells are stimulated to change phenotype by the combined actions of transforming growth factor β (TGFβ) and mechanical tension. This observation indicates a need for a detailed exploration of the effect of the strong interactions between the mechanical changes and growth factors in dermal wound healing. We review the experimental findings in detail and develop a model of dermal wound healing that incorporates these phenomena. Our model includes the interactions between TGFβ and collagenase, providing a more biologically realistic form for the growth factor kinetics than those included in previous mechanochemical descriptions. A comparison is made between the model predictions and experimental data on human dermal wound healing and all the essential features are well matched. © 2012 Society for Mathematical Biology.

  11. Developing Baltic cod recruitment models II : Incorporation of environmental variability and species interaction

    DEFF Research Database (Denmark)

    Köster, Fritz; Hinrichsen, H.H.; St. John, Michael

    2001-01-01

    We investigate whether a process-oriented approach based on the results of field, laboratory, and modelling studies can be used to develop a stock-environment-recruitment model for Central Baltic cod (Gadus morhua). Based on exploratory statistical analysis, significant variables influencing...... affecting survival of eggs, predation by clupeids on eggs, larval transport, and cannibalism. Results showed that recruitment in the most important spawning area, the Bornholm Basin, during 1976-1995 was related to egg production; however, other factors affecting survival of the eggs (oxygen conditions......, predation) were also significant and when incorporated explained 69% of the variation in 0-group recruitment. In other spawning areas, variable hydrographic conditions did not allow for regular successful egg development. Hence, relatively simple models proved sufficient to predict recruitment of 0-group...

  12. Incorporating excitation-induced dephasing into the Maxwell-Bloch numerical modeling of photon echoes

    International Nuclear Information System (INIS)

    Burr, G.W.; Harris, Todd L.; Babbitt, Wm. Randall; Jefferson, C. Michael

    2004-01-01

    We describe the incorporation of excitation-induced dephasing (EID) into the Maxwell-Bloch numerical simulation of photon echoes. At each time step of the usual numerical integration, stochastic frequency jumps of ions--caused by excitation of neighboring ions--is modeled by convolving each Bloch vector with the Bloch vectors of nearby frequency detunings. The width of this convolution kernel follows the instantaneous change in overall population, integrated over the simulated bandwidth. This approach is validated by extensive comparison against published and original experimental results. The enhanced numerical model is then used to investigate the accuracy of experiments designed to extrapolate to the intrinsic dephasing time T 2 from data taken in the presence of EID. Such a modeling capability offers improved understanding of experimental results, and should allow quantitative analysis of engineering tradeoffs in realistic optical coherent transient applications

  13. A Fibrocontractive Mechanochemical Model of Dermal Wound Closure Incorporating Realistic Growth Factor Kinetics

    KAUST Repository

    Murphy, Kelly E.; Hall, Cameron L.; Maini, Philip K.; McCue, Scott W.; McElwain, D. L. Sean

    2012-01-01

    Fibroblasts and their activated phenotype, myofibroblasts, are the primary cell types involved in the contraction associated with dermal wound healing. Recent experimental evidence indicates that the transformation from fibroblasts to myofibroblasts involves two distinct processes: The cells are stimulated to change phenotype by the combined actions of transforming growth factor β (TGFβ) and mechanical tension. This observation indicates a need for a detailed exploration of the effect of the strong interactions between the mechanical changes and growth factors in dermal wound healing. We review the experimental findings in detail and develop a model of dermal wound healing that incorporates these phenomena. Our model includes the interactions between TGFβ and collagenase, providing a more biologically realistic form for the growth factor kinetics than those included in previous mechanochemical descriptions. A comparison is made between the model predictions and experimental data on human dermal wound healing and all the essential features are well matched. © 2012 Society for Mathematical Biology.

  14. Incorporating Yearly Derived Winter Wheat Maps Into Winter Wheat Yield Forecasting Model

    Science.gov (United States)

    Skakun, S.; Franch, B.; Roger, J.-C.; Vermote, E.; Becker-Reshef, I.; Justice, C.; Santamaría-Artigas, A.

    2016-01-01

    Wheat is one of the most important cereal crops in the world. Timely and accurate forecast of wheat yield and production at global scale is vital in implementing food security policy. Becker-Reshef et al. (2010) developed a generalized empirical model for forecasting winter wheat production using remote sensing data and official statistics. This model was implemented using static wheat maps. In this paper, we analyze the impact of incorporating yearly wheat masks into the forecasting model. We propose a new approach of producing in season winter wheat maps exploiting satellite data and official statistics on crop area only. Validation on independent data showed that the proposed approach reached 6% to 23% of omission error and 10% to 16% of commission error when mapping winter wheat 2-3 months before harvest. In general, we found a limited impact of using yearly winter wheat masks over a static mask for the study regions.

  15. Some considerations concerning the challenge of incorporating social variables into epidemiological models of infectious disease transmission.

    Science.gov (United States)

    Barnett, Tony; Fournié, Guillaume; Gupta, Sunetra; Seeley, Janet

    2015-01-01

    Incorporation of 'social' variables into epidemiological models remains a challenge. Too much detail and models cease to be useful; too little and the very notion of infection - a highly social process in human populations - may be considered with little reference to the social. The French sociologist Émile Durkheim proposed that the scientific study of society required identification and study of 'social currents'. Such 'currents' are what we might today describe as 'emergent properties', specifiable variables appertaining to individuals and groups, which represent the perspectives of social actors as they experience the environment in which they live their lives. Here we review the ways in which one particular emergent property, hope, relevant to a range of epidemiological situations, might be used in epidemiological modelling of infectious diseases in human populations. We also indicate how such an approach might be extended to include a range of other potential emergent properties to represent complex social and economic processes bearing on infectious disease transmission.

  16. Business structures and sustainable regional legal practice: the use of incorporated legal practices by regional, rural and remote legal practitioners

    OpenAIRE

    Caroline Lydia Hart

    2012-01-01

    Since 2007 the Legal Profession Act 2007 (Qld) has offered legal practitioners a wider choice of business structure other than sole practitioner or partnership, to include incorporated legal practice ('ILP') or multidisciplinary partnership. In particular the use of ILPs offers legal practitioners a range of benefits in terms of operating a law firm consistent with business management practices. The status of ILP however comes at a cost of putting in place 'appropriate management systems'. ...

  17. What are the consequences for Danish Fashion Premium Brand Companies to incorporate Ethical Fashion in their company structure?

    OpenAIRE

    Bartoli, Nicla; Nielsen, Amalie

    2014-01-01

    This paper is meant to investigate the topic of Ethical Fashion implemented in Danish Fashion Premium Brands Companies. In order to have an almost complete scientific paper, the group decided to formulate the folowing problem formulation “What are the consequences for Danish Premium Brand Companies to incorporate Ethical Fashion in their company structure?” With three main research question: The first one is focusing on how Ethical Fashion is defined in the Danish fashion industry, in order t...

  18. Are adverse effects incorporated in economic models? An initial review of current practice.

    Science.gov (United States)

    Craig, D; McDaid, C; Fonseca, T; Stock, C; Duffy, S; Woolacott, N

    2009-12-01

    To identify methodological research on the incorporation of adverse effects in economic models and to review current practice. Major electronic databases (Cochrane Methodology Register, Health Economic Evaluations Database, NHS Economic Evaluation Database, EconLit, EMBASE, Health Management Information Consortium, IDEAS, MEDLINE and Science Citation Index) were searched from inception to September 2007. Health technology assessment (HTA) reports commissioned by the National Institute for Health Research (NIHR) HTA programme and published between 2004 and 2007 were also reviewed. The reviews of methodological research on the inclusion of adverse effects in decision models and of current practice were carried out according to standard methods. Data were summarised in a narrative synthesis. Of the 719 potentially relevant references in the methodological research review, five met the inclusion criteria; however, they contained little information of direct relevance to the incorporation of adverse effects in models. Of the 194 HTA monographs published from 2004 to 2007, 80 were reviewed, covering a range of research and therapeutic areas. In total, 85% of the reports included adverse effects in the clinical effectiveness review and 54% of the decision models included adverse effects in the model; 49% included adverse effects in the clinical review and model. The link between adverse effects in the clinical review and model was generally weak; only 3/80 (manipulation. Of the models including adverse effects, 67% used a clinical adverse effects parameter, 79% used a cost of adverse effects parameter, 86% used one of these and 60% used both. Most models (83%) used utilities, but only two (2.5%) used solely utilities to incorporate adverse effects and were explicit that the utility captured relevant adverse effects; 53% of those models that included utilities derived them from patients on treatment and could therefore be interpreted as capturing adverse effects. In total

  19. A realistic closed-form radiobiological model of clinical tumor-control data incorporating intertumor heterogeneity

    International Nuclear Information System (INIS)

    Roberts, Stephen A.; Hendry, Jolyon H.

    1998-01-01

    Purpose: To investigate the role of intertumor heterogeneity in clinical tumor control datasets and the relationship to in vitro measurements of tumor biopsy samples. Specifically, to develop a modified linear-quadratic (LQ) model incorporating such heterogeneity that it is practical to fit to clinical tumor-control datasets. Methods and Materials: We developed a modified version of the linear-quadratic (LQ) model for tumor control, incorporating a (lagged) time factor to allow for tumor cell repopulation. We explicitly took into account the interpatient heterogeneity in clonogen number, radiosensitivity, and repopulation rate. Using this model, we could generate realistic TCP curves using parameter estimates consistent with those reported from in vitro studies, subject to the inclusion of a radiosensitivity (or dose)-modifying factor. We then demonstrated that the model was dominated by the heterogeneity in α (tumor radiosensitivity) and derived an approximate simplified model incorporating this heterogeneity. This simplified model is expressible in a compact closed form, which it is practical to fit to clinical datasets. Using two previously analysed datasets, we fit the model using direct maximum-likelihood techniques and obtained parameter estimates that were, again, consistent with the experimental data on the radiosensitivity of primary human tumor cells. This heterogeneity model includes the same number of adjustable parameters as the standard LQ model. Results: The modified model provides parameter estimates that can easily be reconciled with the in vitro measurements. The simplified (approximate) form of the heterogeneity model is a compact, closed-form probit function that can readily be fitted to clinical series by conventional maximum-likelihood methodology. This heterogeneity model provides a slightly better fit to the datasets than the conventional LQ model, with the same numbers of fitted parameters. The parameter estimates of the clinically

  20. A first principles study of energetics and electronic structural responses of uranium-based coordination polymers to Np incorporation

    International Nuclear Information System (INIS)

    Saha, Saumitra; Becker, Udo

    2018-01-01

    Recently developed coordination polymers (CPs) and metal organic frameworks (MOFs) may find applications in areas such as catalysis, hydrogen storage, and heavy metal immobilization. Research on the potential application of actinide-based CPs (An-CP/MOFs) is not as advanced as transition metal-based MOFs. In order to modify their structures necessary for optimizing thermodynamic and electronic properties, here, we described how a specific topology of a particular actinide-based CP or MOF responds to the incorporation of other actinides considering their diverse coordination chemistry associated with the multiple valence states and charge-balancing mechanisms. In this study, we apply a recently developed DFT-based method to determine the relative stability of transuranium incorporated CPs in comparison to their uranium counterpart considering both solid and aqueous state sources and sinks to understand the mechanism and energetics of charge-balanced Np 5+ incorporation into three uranium-based CPs. The calculated Np 5+ + H + incorporation energies for these CPs range from 0.33 to 0.52 eV, depending on the organic linker, when using the solid oxide Np source Np 2 O 5 and U sink UO 3 . Incorporation energies of these CPs using aqueous sources and sinks increase to 2.85-3.14 eV. The thermodynamic and structural analysis in this study aides in determining, why certain MOF topologies and ligands are selective for some actinides and not for others. This means that once this method is extended across a variety of CPs with their respective linker molecules and different actinides, it can be used to identify certain CPs with certain organic ligands being specific for certain actinides. This information can be used to construct CPs for actinide separation. This is the first determination of the electronic structure (band structure, density of states) of these uranium- and transuranium-based CPs which may eventually lead to design CPs with certain optical or catalytic

  1. A first principles study of energetics and electronic structural responses of uranium-based coordination polymers to Np incorporation

    Energy Technology Data Exchange (ETDEWEB)

    Saha, Saumitra [Melbourne Univ., VIC (Australia). Australian Research Council Centre of Excellence for Advanced Molecular Imaging; Becker, Udo [Michigan Univ., Ann Arbor, MI (United States). Dept. of Earth and Environmental Sciences

    2018-04-01

    Recently developed coordination polymers (CPs) and metal organic frameworks (MOFs) may find applications in areas such as catalysis, hydrogen storage, and heavy metal immobilization. Research on the potential application of actinide-based CPs (An-CP/MOFs) is not as advanced as transition metal-based MOFs. In order to modify their structures necessary for optimizing thermodynamic and electronic properties, here, we described how a specific topology of a particular actinide-based CP or MOF responds to the incorporation of other actinides considering their diverse coordination chemistry associated with the multiple valence states and charge-balancing mechanisms. In this study, we apply a recently developed DFT-based method to determine the relative stability of transuranium incorporated CPs in comparison to their uranium counterpart considering both solid and aqueous state sources and sinks to understand the mechanism and energetics of charge-balanced Np{sup 5+} incorporation into three uranium-based CPs. The calculated Np{sup 5+} + H{sup +} incorporation energies for these CPs range from 0.33 to 0.52 eV, depending on the organic linker, when using the solid oxide Np source Np{sub 2}O{sub 5} and U sink UO{sub 3}. Incorporation energies of these CPs using aqueous sources and sinks increase to 2.85-3.14 eV. The thermodynamic and structural analysis in this study aides in determining, why certain MOF topologies and ligands are selective for some actinides and not for others. This means that once this method is extended across a variety of CPs with their respective linker molecules and different actinides, it can be used to identify certain CPs with certain organic ligands being specific for certain actinides. This information can be used to construct CPs for actinide separation. This is the first determination of the electronic structure (band structure, density of states) of these uranium- and transuranium-based CPs which may eventually lead to design CPs with certain

  2. Incorporating remote sensing-based ET estimates into the Community Land Model version 4.5

    Directory of Open Access Journals (Sweden)

    D. Wang

    2017-07-01

    Full Text Available Land surface models bear substantial biases in simulating surface water and energy budgets despite the continuous development and improvement of model parameterizations. To reduce model biases, Parr et al. (2015 proposed a method incorporating satellite-based evapotranspiration (ET products into land surface models. Here we apply this bias correction method to the Community Land Model version 4.5 (CLM4.5 and test its performance over the conterminous US (CONUS. We first calibrate a relationship between the observational ET from the Global Land Evaporation Amsterdam Model (GLEAM product and the model ET from CLM4.5, and assume that this relationship holds beyond the calibration period. During the validation or application period, a simulation using the default CLM4.5 (CLM is conducted first, and its output is combined with the calibrated observational-vs.-model ET relationship to derive a corrected ET; an experiment (CLMET is then conducted in which the model-generated ET is overwritten with the corrected ET. Using the observations of ET, runoff, and soil moisture content as benchmarks, we demonstrate that CLMET greatly improves the hydrological simulations over most of the CONUS, and the improvement is stronger in the eastern CONUS than the western CONUS and is strongest over the Southeast CONUS. For any specific region, the degree of the improvement depends on whether the relationship between observational and model ET remains time-invariant (a fundamental hypothesis of the Parr et al. (2015 method and whether water is the limiting factor in places where ET is underestimated. While the bias correction method improves hydrological estimates without improving the physical parameterization of land surface models, results from this study do provide guidance for physically based model development effort.

  3. Incorporating vehicle mix in stimulus-response car-following models

    Directory of Open Access Journals (Sweden)

    Saidi Siuhi

    2016-06-01

    Full Text Available The objective of this paper is to incorporate vehicle mix in stimulus-response car-following models. Separate models were estimated for acceleration and deceleration responses to account for vehicle mix via both movement state and vehicle type. For each model, three sub-models were developed for different pairs of following vehicles including “automobile following automobile,” “automobile following truck,” and “truck following automobile.” The estimated model parameters were then validated against other data from a similar region and roadway. The results indicated that drivers' behaviors were significantly different among the different pairs of following vehicles. Also the magnitude of the estimated parameters depends on the type of vehicle being driven and/or followed. These results demonstrated the need to use separate models depending on movement state and vehicle type. The differences in parameter estimates confirmed in this paper highlight traffic safety and operational issues of mixed traffic operation on a single lane. The findings of this paper can assist transportation professionals to improve traffic simulation models used to evaluate the impact of different strategies on ameliorate safety and performance of highways. In addition, driver response time lag estimates can be used in roadway design to calculate important design parameters such as stopping sight distance on horizontal and vertical curves for both automobiles and trucks.

  4. Fuzzy Logic-Based Model That Incorporates Personality Traits for Heterogeneous Pedestrians

    Directory of Open Access Journals (Sweden)

    Zhuxin Xue

    2017-10-01

    Full Text Available Most models designed to simulate pedestrian dynamical behavior are based on the assumption that human decision-making can be described using precise values. This study proposes a new pedestrian model that incorporates fuzzy logic theory into a multi-agent system to address cognitive behavior that introduces uncertainty and imprecision during decision-making. We present a concept of decision preferences to represent the intrinsic control factors of decision-making. To realize the different decision preferences of heterogeneous pedestrians, the Five-Factor (OCEAN personality model is introduced to model the psychological characteristics of individuals. Then, a fuzzy logic-based approach is adopted for mapping the relationships between the personality traits and the decision preferences. Finally, we have developed an application using our model to simulate pedestrian dynamical behavior in several normal or non-panic scenarios, including a single-exit room, a hallway with obstacles, and a narrowing passage. The effectiveness of the proposed model is validated with a user study. The results show that the proposed model can generate more reasonable and heterogeneous behavior in the simulation and indicate that individual personality has a noticeable effect on pedestrian dynamical behavior.

  5. Discontinuous Galerkin Time-Domain Modeling of Graphene Nano-Ribbon Incorporating the Spatial Dispersion Effects

    KAUST Repository

    Li, Ping; Jiang, Li Jun; Bagci, Hakan

    2018-01-01

    It is well known that graphene demonstrates spatial dispersion properties, i.e., its conductivity is nonlocal and a function of spectral wave number (momentum operator) q. In this paper, to account for effects of spatial dispersion on transmission of high speed signals along graphene nano-ribbon (GNR) interconnects, a discontinuous Galerkin time-domain (DGTD) algorithm is proposed. The atomically-thick GNR is modeled using a nonlocal transparent surface impedance boundary condition (SIBC) incorporated into the DGTD scheme. Since the conductivity is a complicated function of q (and one cannot find an analytical Fourier transform pair between q and spatial differential operators), an exact time domain SIBC model cannot be derived. To overcome this problem, the conductivity is approximated by its Taylor series in spectral domain under low-q assumption. This approach permits expressing the time domain SIBC in the form of a second-order partial differential equation (PDE) in current density and electric field intensity. To permit easy incorporation of this PDE with the DGTD algorithm, three auxiliary variables, which degenerate the second-order (temporal and spatial) differential operators to first-order ones, are introduced. Regarding to the temporal dispersion effects, the auxiliary differential equation (ADE) method is utilized to eliminates the expensive temporal convolutions. To demonstrate the applicability of the proposed scheme, numerical results, which involve characterization of spatial dispersion effects on the transfer impedance matrix of GNR interconnects, are presented.

  6. Discontinuous Galerkin Time-Domain Modeling of Graphene Nano-Ribbon Incorporating the Spatial Dispersion Effects

    KAUST Repository

    Li, Ping

    2018-04-13

    It is well known that graphene demonstrates spatial dispersion properties, i.e., its conductivity is nonlocal and a function of spectral wave number (momentum operator) q. In this paper, to account for effects of spatial dispersion on transmission of high speed signals along graphene nano-ribbon (GNR) interconnects, a discontinuous Galerkin time-domain (DGTD) algorithm is proposed. The atomically-thick GNR is modeled using a nonlocal transparent surface impedance boundary condition (SIBC) incorporated into the DGTD scheme. Since the conductivity is a complicated function of q (and one cannot find an analytical Fourier transform pair between q and spatial differential operators), an exact time domain SIBC model cannot be derived. To overcome this problem, the conductivity is approximated by its Taylor series in spectral domain under low-q assumption. This approach permits expressing the time domain SIBC in the form of a second-order partial differential equation (PDE) in current density and electric field intensity. To permit easy incorporation of this PDE with the DGTD algorithm, three auxiliary variables, which degenerate the second-order (temporal and spatial) differential operators to first-order ones, are introduced. Regarding to the temporal dispersion effects, the auxiliary differential equation (ADE) method is utilized to eliminates the expensive temporal convolutions. To demonstrate the applicability of the proposed scheme, numerical results, which involve characterization of spatial dispersion effects on the transfer impedance matrix of GNR interconnects, are presented.

  7. Advanced Methods for Incorporating Solar Energy Technologies into Electric Sector Capacity-Expansion Models: Literature Review and Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, P.; Eurek, K.; Margolis, R.

    2014-07-01

    Because solar power is a rapidly growing component of the electricity system, robust representations of solar technologies should be included in capacity-expansion models. This is a challenge because modeling the electricity system--and, in particular, modeling solar integration within that system--is a complex endeavor. This report highlights the major challenges of incorporating solar technologies into capacity-expansion models and shows examples of how specific models address those challenges. These challenges include modeling non-dispatchable technologies, determining which solar technologies to model, choosing a spatial resolution, incorporating a solar resource assessment, and accounting for solar generation variability and uncertainty.

  8. Probabilistic Modeling of Timber Structures

    DEFF Research Database (Denmark)

    Köhler, J.D.; Sørensen, John Dalsgaard; Faber, Michael Havbro

    2005-01-01

    The present paper contains a proposal for the probabilistic modeling of timber material properties. It is produced in the context of the Probabilistic Model Code (PMC) of the Joint Committee on Structural Safety (JCSS) and of the COST action E24 'Reliability of Timber Structures'. The present...... proposal is based on discussions and comments from participants of the COST E24 action and the members of the JCSS. The paper contains a description of the basic reference properties for timber strength parameters and ultimate limit state equations for components and connections. The recommended...

  9. Energy system investment model incorporating heat pumps with thermal storage in buildings and buffer tanks

    DEFF Research Database (Denmark)

    Hedegaard, Karsten; Balyk, Olexandr

    2013-01-01

    Individual compression heat pumps constitute a potentially valuable resource in supporting wind power integration due to their economic competitiveness and possibilities for flexible operation. When analysing the system benefits of flexible heat pump operation, effects on investments should...... be taken into account. In this study, we present a model that facilitates analysing individual heat pumps and complementing heat storages in integration with the energy system, while optimising both investments and operation. The model incorporates thermal building dynamics and covers various heat storage...... of operating heat pumps flexibly. This includes prioritising heat pump operation for hours with low marginal electricity production costs, and peak load shaving resulting in a reduced need for peak and reserve capacity investments....

  10. A MULTI-RESOLUTION FUSION MODEL INCORPORATING COLOR AND ELEVATION FOR SEMANTIC SEGMENTATION

    Directory of Open Access Journals (Sweden)

    W. Zhang

    2017-05-01

    Full Text Available In recent years, the developments for Fully Convolutional Networks (FCN have led to great improvements for semantic segmentation in various applications including fused remote sensing data. There is, however, a lack of an in-depth study inside FCN models which would lead to an understanding of the contribution of individual layers to specific classes and their sensitivity to different types of input data. In this paper, we address this problem and propose a fusion model incorporating infrared imagery and Digital Surface Models (DSM for semantic segmentation. The goal is to utilize heterogeneous data more accurately and effectively in a single model instead of to assemble multiple models. First, the contribution and sensitivity of layers concerning the given classes are quantified by means of their recall in FCN. The contribution of different modalities on the pixel-wise prediction is then analyzed based on visualization. Finally, an optimized scheme for the fusion of layers with color and elevation information into a single FCN model is derived based on the analysis. Experiments are performed on the ISPRS Vaihingen 2D Semantic Labeling dataset. Comprehensive evaluations demonstrate the potential of the proposed approach.

  11. Modelling and Simulation of a Manipulator with Stable Viscoelastic Grasping Incorporating Friction

    Directory of Open Access Journals (Sweden)

    A. Khurshid

    2016-12-01

    Full Text Available Design, dynamics and control of a humanoid robotic hand based on anthropological dimensions, with joint friction, is modelled, simulated and analysed in this paper by using computer aided design and multibody dynamic simulation. Combined joint friction model is incorporated in the joints. Experimental values of coefficient of friction of grease lubricated sliding contacts representative of manipulator joints are presented. Human fingers deform to the shape of the grasped object (enveloping grasp at the area of interaction. A mass-spring-damper model of the grasp is developed. The interaction of the viscoelastic gripper of the arm with objects is analysed by using Bond Graph modelling method. Simulations were conducted for several material parameters. These results of the simulation are then used to develop a prototype of the proposed gripper. Bond graph model is experimentally validated by using the prototype. The gripper is used to successfully transport soft and fragile objects. This paper provides information on optimisation of friction and its inclusion in both dynamic modelling and simulation to enhance mechanical efficiency.

  12. Developing a stochastic parameterization to incorporate plant trait variability into ecohydrologic modeling

    Science.gov (United States)

    Liu, S.; Ng, G. H. C.

    2017-12-01

    The global plant database has revealed that plant traits can vary more within a plant functional type (PFT) than among different PFTs, indicating that the current paradigm in ecohydrogical models of specifying fixed parameters based solely on plant functional type (PFT) could potentially bias simulations. Although some recent modeling studies have attempted to incorporate this observed plant trait variability, many failed to consider uncertainties due to sparse global observation, or they omitted spatial and/or temporal variability in the traits. Here we present a stochastic parameterization for prognostic vegetation simulations that are stochastic in time and space in order to represent plant trait plasticity - the process by which trait differences arise. We have developed the new PFT parameterization within the Community Land Model 4.5 (CLM 4.5) and tested the method for a desert shrubland watershed in the Mojave Desert, where fixed parameterizations cannot represent acclimation to desert conditions. Spatiotemporally correlated plant trait parameters were first generated based on TRY statistics and were then used to implement ensemble runs for the study area. The new PFT parameterization was then further conditioned on field measurements of soil moisture and remotely sensed observations of leaf-area-index to constrain uncertainties in the sparse global database. Our preliminary results show that incorporating data-conditioned, variable PFT parameterizations strongly affects simulated soil moisture and water fluxes, compared with default simulations. The results also provide new insights about correlations among plant trait parameters and between traits and environmental conditions in the desert shrubland watershed. Our proposed stochastic PFT parameterization method for ecohydrological models has great potential in advancing our understanding of how terrestrial ecosystems are predicted to adapt to variable environmental conditions.

  13. A model to incorporate organ deformation in the evaluation of dose/volume relationship

    International Nuclear Information System (INIS)

    Yan, D.; Jaffray, D.; Wong, J.; Brabbins, D.; Martinez, A. A.

    1997-01-01

    Purpose: Measurements of internal organ motion have demonstrated that daily organ deformation exists during the course of radiation treatment. However, a model to evaluate the resultant dose delivered to a daily deformed organ remains a difficult challenge. Current methods which model such organ deformation as rigid body motion in the dose calculation for treatment planning evaluation are incorrect and misleading. In this study, a new model for treatment planning evaluation is introduced which incorporates patient specific information of daily organ deformation and setup variation. The model was also used to retrospectively analyze the actual treatment data measured using daily CT scans for 5 patients with prostate treatment. Methods and Materials: The model assumes that for each patient, the organ of interest can be measured during the first few treatment days. First, the volume of each organ is delineated from each of the daily measurements and cumulated in a 3D bit-map. A tissue occupancy distribution is then constructed with the 50% isodensity representing the mean, or effective, organ volume. During the course of treatment, each voxel in the effective organ volume is assumed to move inside a local 3D neighborhood with a specific distribution function. The neighborhood and the distribution function are deduced from the positions and shapes of the organ in the first few measurements using the biomechanics model of viscoelastic body. For each voxel, the local distribution function is then convolved with the spatial dose distribution. The latter includes also the variation in dose due to daily setup error. As a result, the cumulative dose to the voxel incorporates the effects of daily setup variation and organ deformation. A ''variation adjusted'' dose volume histogram, aDVH, for the effective organ volume can then be constructed for the purpose of treatment evaluation and optimization. Up to 20 daily CT scans and daily portal images for 5 patients with prostate

  14. Incorporating time-delays in S-System model for reverse engineering genetic networks.

    Science.gov (United States)

    Chowdhury, Ahsan Raja; Chetty, Madhu; Vinh, Nguyen Xuan

    2013-06-18

    In any gene regulatory network (GRN), the complex interactions occurring amongst transcription factors and target genes can be either instantaneous or time-delayed. However, many existing modeling approaches currently applied for inferring GRNs are unable to represent both these interactions simultaneously. As a result, all these approaches cannot detect important interactions of the other type. S-System model, a differential equation based approach which has been increasingly applied for modeling GRNs, also suffers from this limitation. In fact, all S-System based existing modeling approaches have been designed to capture only instantaneous interactions, and are unable to infer time-delayed interactions. In this paper, we propose a novel Time-Delayed S-System (TDSS) model which uses a set of delay differential equations to represent the system dynamics. The ability to incorporate time-delay parameters in the proposed S-System model enables simultaneous modeling of both instantaneous and time-delayed interactions. Furthermore, the delay parameters are not limited to just positive integer values (corresponding to time stamps in the data), but can also take fractional values. Moreover, we also propose a new criterion for model evaluation exploiting the sparse and scale-free nature of GRNs to effectively narrow down the search space, which not only reduces the computation time significantly but also improves model accuracy. The evaluation criterion systematically adapts the max-min in-degrees and also systematically balances the effect of network accuracy and complexity during optimization. The four well-known performance measures applied to the experimental studies on synthetic networks with various time-delayed regulations clearly demonstrate that the proposed method can capture both instantaneous and delayed interactions correctly with high precision. The experiments carried out on two well-known real-life networks, namely IRMA and SOS DNA repair network in

  15. Simplex network modeling for press-molded ceramic bodies incorporated with granite waste

    International Nuclear Information System (INIS)

    Pedroti, L.G.; Vieira, C.M.F.; Alexandre, J.; Monteiro, S.N.; Xavier, G.C.

    2012-01-01

    Extrusion of a clay body is the most commonly applied process in the ceramic industries for manufacturing structural block. Nowadays, the assembly of such blocks through a fitting system that facilitates the final mounting is gaining attention owing to the saving in material and reducing in the cost of the building construction. In this work, the ideal composition of clay bodies incorporated with granite powder waste was investigated for the production of press-molded ceramic blocks. An experimental design was applied to determine the optimum properties and microstructures involving not only the precursors compositions but also the press and temperature conditions. Press load from 15 ton and temperatures from 850 to 1050°C were considered. The results indicated that varying mechanical strength of 2 MPa to 20 MPa and varying water absorption of 19% to 30%. (author)

  16. Incorporating functional requirements into the structural design of the Defense Waste Processing Facility

    International Nuclear Information System (INIS)

    Hsiu, F.J.; Ng, C.K.; Almuti, A.M.

    1986-01-01

    Vitrification Building-type structures have unique features and design needs. The structural design requires new concepts and custom detailing. The above special structural designs have demonstrated the importance of the five design considerations listed in the introduction. Innovative ideas and close coordination are required to achieve the design objectives. Many of these innovations have been applied to the DWPF facility which is a first of a kind

  17. Simulation of Forest Carbon Fluxes Using Model Incorporation and Data Assimilation

    Directory of Open Access Journals (Sweden)

    Min Yan

    2016-07-01

    Full Text Available This study improved simulation of forest carbon fluxes in the Changbai Mountains with a process-based model (Biome-BGC using incorporation and data assimilation. Firstly, the original remote sensing-based MODIS MOD_17 GPP (MOD_17 model was optimized using refined input data and biome-specific parameters. The key ecophysiological parameters of the Biome-BGC model were determined through the Extended Fourier Amplitude Sensitivity Test (EFAST sensitivity analysis. Then the optimized MOD_17 model was used to calibrate the Biome-BGC model by adjusting the sensitive ecophysiological parameters. Once the best match was found for the 10 selected forest plots for the 8-day GPP estimates from the optimized MOD_17 and from the Biome-BGC, the values of sensitive ecophysiological parameters were determined. The calibrated Biome-BGC model agreed better with the eddy covariance (EC measurements (R2 = 0.87, RMSE = 1.583 gC·m−2·d−1 than the original model did (R2 = 0.72, RMSE = 2.419 gC·m−2·d−1. To provide a best estimate of the true state of the model, the Ensemble Kalman Filter (EnKF was used to assimilate five years (of eight-day periods between 2003 and 2007 of Global LAnd Surface Satellite (GLASS LAI products into the calibrated Biome-BGC model. The results indicated that LAI simulated through the assimilated Biome-BGC agreed well with GLASS LAI. GPP performances obtained from the assimilated Biome-BGC were further improved and verified by EC measurements at the Changbai Mountains forest flux site (R2 = 0.92, RMSE = 1.261 gC·m−2·d−1.

  18. A New Paradigm For Modeling Fault Zone Inelasticity: A Multiscale Continuum Framework Incorporating Spontaneous Localization and Grain Fragmentation.

    Science.gov (United States)

    Elbanna, A. E.

    2015-12-01

    The brittle portion of the crust contains structural features such as faults, jogs, joints, bends and cataclastic zones that span a wide range of length scales. These features may have a profound effect on earthquake nucleation, propagation and arrest. Incorporating these existing features in modeling and the ability to spontaneously generate new one in response to earthquake loading is crucial for predicting seismicity patterns, distribution of aftershocks and nucleation sites, earthquakes arrest mechanisms, and topological changes in the seismogenic zone structure. Here, we report on our efforts in modeling two important mechanisms contributing to the evolution of fault zone topology: (1) Grain comminution at the submeter scale, and (2) Secondary faulting/plasticity at the scale of few to hundreds of meters. We use the finite element software Abaqus to model the dynamic rupture. The constitutive response of the fault zone is modeled using the Shear Transformation Zone theory, a non-equilibrium statistical thermodynamic framework for modeling plastic deformation and localization in amorphous materials such as fault gouge. The gouge layer is modeled as 2D plane strain region with a finite thickness and heterogeenous distribution of porosity. By coupling the amorphous gouge with the surrounding elastic bulk, the model introduces a set of novel features that go beyond the state of the art. These include: (1) self-consistent rate dependent plasticity with a physically-motivated set of internal variables, (2) non-locality that alleviates mesh dependence of shear band formation, (3) spontaneous evolution of fault roughness and its strike which affects ground motion generation and the local stress fields, and (4) spontaneous evolution of grain size and fault zone fabric.

  19. Incorporating social groups' responses in a descriptive model for second- and higher-order impact identification

    International Nuclear Information System (INIS)

    Sutheerawatthana, Pitch; Minato, Takayuki

    2010-01-01

    The response of a social group is a missing element in the formal impact assessment model. Previous discussion of the involvement of social groups in an intervention has mainly focused on the formation of the intervention. This article discusses the involvement of social groups in a different way. A descriptive model is proposed by incorporating a social group's response into the concept of second- and higher-order effects. The model is developed based on a cause-effect relationship through the observation of phenomena in case studies. The model clarifies the process by which social groups interact with a lower-order effect and then generate a higher-order effect in an iterative manner. This study classifies social groups' responses into three forms-opposing, modifying, and advantage-taking action-and places them in six pathways. The model is expected to be used as an analytical tool for investigating and identifying impacts in the planning stage and as a framework for monitoring social groups' responses during the implementation stage of a policy, plan, program, or project (PPPPs).

  20. Incorporating plant fossil data into species distribution models is not straightforward: Pitfalls and possible solutions

    Science.gov (United States)

    Moreno-Amat, Elena; Rubiales, Juan Manuel; Morales-Molino, César; García-Amorena, Ignacio

    2017-08-01

    The increasing development of species distribution models (SDMs) using palaeodata has created new prospects to address questions of evolution, ecology and biogeography from wider perspectives. Palaeobotanical data provide information on the past distribution of taxa at a given time and place and its incorporation on modelling has contributed to advancing the SDM field. This has allowed, for example, to calibrate models under past climate conditions or to validate projected models calibrated on current species distributions. However, these data also bear certain shortcomings when used in SDMs that may hinder the resulting ecological outcomes and eventually lead to misleading conclusions. Palaeodata may not be equivalent to present data, but instead frequently exhibit limitations and biases regarding species representation, taxonomy and chronological control, and their inclusion in SDMs should be carefully assessed. The limitations of palaeobotanical data applied to SDM studies are infrequently discussed and often neglected in the modelling literature; thus, we argue for the more careful selection and control of these data. We encourage authors to use palaeobotanical data in their SDMs studies and for doing so, we propose some recommendations to improve the robustness, reliability and significance of palaeo-SDM analyses.

  1. Incorporation of basic side chains into cryptolepine scaffold: structure-antimalarial activity relationships and mechanistic studies.

    Science.gov (United States)

    Lavrado, João; Cabal, Ghislain G; Prudêncio, Miguel; Mota, Maria M; Gut, Jiri; Rosenthal, Philip J; Díaz, Cecília; Guedes, Rita C; dos Santos, Daniel J V A; Bichenkova, Elena; Douglas, Kenneth T; Moreira, Rui; Paulo, Alexandra

    2011-02-10

    The synthesis of cryptolepine derivatives containing basic side-chains at the C-11 position and their evaluations for antiplasmodial and cytotoxicity properties are reported. Propyl, butyl, and cycloalkyl diamine side chains significantly increased activity against chloroquine-resistant Plasmodium falciparum strains while reducing cytotoxicity when compared with the parent compound. Localization studies inside parasite blood stages by fluorescence microscopy showed that these derivatives accumulate inside the nucleus, indicating that the incorporation of a basic side chain is not sufficient enough to promote selective accumulation in the acidic digestive vacuole of the parasite. Most of the compounds within this series showed the ability to bind to a double-stranded DNA duplex as well to monomeric hematin, suggesting that these are possible targets associated with the observed antimalarial activity. Overall, these novel cryptolepine analogues with substantially improved antiplasmodial activity and selectivity index provide a promising starting point for development of potent and highly selective agents against drug-resistant malaria parasites.

  2. Incorporating teleconnection information into reservoir operating policies using Stochastic Dynamic Programming and a Hidden Markov Model

    Science.gov (United States)

    Turner, Sean; Galelli, Stefano; Wilcox, Karen

    2015-04-01

    Water reservoir systems are often affected by recurring large-scale ocean-atmospheric anomalies, known as teleconnections, that cause prolonged periods of climatological drought. Accurate forecasts of these events -- at lead times in the order of weeks and months -- may enable reservoir operators to take more effective release decisions to improve the performance of their systems. In practice this might mean a more reliable water supply system, a more profitable hydropower plant or a more sustainable environmental release policy. To this end, climate indices, which represent the oscillation of the ocean-atmospheric system, might be gainfully employed within reservoir operating models that adapt the reservoir operation as a function of the climate condition. This study develops a Stochastic Dynamic Programming (SDP) approach that can incorporate climate indices using a Hidden Markov Model. The model simulates the climatic regime as a hidden state following a Markov chain, with the state transitions driven by variation in climatic indices, such as the Southern Oscillation Index. Time series analysis of recorded streamflow data reveals the parameters of separate autoregressive models that describe the inflow to the reservoir under three representative climate states ("normal", "wet", "dry"). These models then define inflow transition probabilities for use in a classic SDP approach. The key advantage of the Hidden Markov Model is that it allows conditioning the operating policy not only on the reservoir storage and the antecedent inflow, but also on the climate condition, thus potentially allowing adaptability to a broader range of climate conditions. In practice, the reservoir operator would effect a water release tailored to a specific climate state based on available teleconnection data and forecasts. The approach is demonstrated on the operation of a realistic, stylised water reservoir with carry-over capacity in South-East Australia. Here teleconnections relating

  3. A generalized linear-quadratic model incorporating reciprocal time pattern of radiation damage repair

    International Nuclear Information System (INIS)

    Huang, Zhibin; Mayr, Nina A.; Lo, Simon S.; Wang, Jian Z.; Jia Guang; Yuh, William T. C.; Johnke, Roberta

    2012-01-01

    Purpose: It has been conventionally assumed that the repair rate for sublethal damage (SLD) remains constant during the entire radiation course. However, increasing evidence from animal studies suggest that this may not the case. Rather, it appears that the repair rate for radiation-induced SLD slows down with increasing time. Such a slowdown in repair would suggest that the exponential repair pattern would not necessarily accurately predict repair process. As a result, the purpose of this study was to investigate a new generalized linear-quadratic (LQ) model incorporating a repair pattern with reciprocal time. The new formulas were tested with published experimental data. Methods: The LQ model has been widely used in radiation therapy, and the parameter G in the surviving fraction represents the repair process of sublethal damage with T r as the repair half-time. When a reciprocal pattern of repair process was adopted, a closed form of G was derived analytically for arbitrary radiation schemes. The published animal data adopted to test the reciprocal formulas. Results: A generalized LQ model to describe the repair process in a reciprocal pattern was obtained. Subsequently, formulas for special cases were derived from this general form. The reciprocal model showed a better fit to the animal data than the exponential model, particularly for the ED50 data (reduced χ 2 min of 2.0 vs 4.3, p = 0.11 vs 0.006), with the following gLQ parameters: α/β = 2.6-4.8 Gy, T r = 3.2-3.9 h for rat feet skin, and α/β = 0.9 Gy, T r = 1.1 h for rat spinal cord. Conclusions: These results of repair process following a reciprocal time suggest that the generalized LQ model incorporating the reciprocal time of sublethal damage repair shows a better fit than the exponential repair model. These formulas can be used to analyze the experimental and clinical data, where a slowing-down repair process appears during the course of radiation therapy.

  4. Petroacoustic Modelling of Heterolithic Sandstone Reservoirs: A Novel Approach to Gassmann Modelling Incorporating Sedimentological Constraints and NMR Porosity data

    Science.gov (United States)

    Matthews, S.; Lovell, M.; Davies, S. J.; Pritchard, T.; Sirju, C.; Abdelkarim, A.

    2012-12-01

    Heterolithic or 'shaly' sandstone reservoirs constitute a significant proportion of hydrocarbon resources. Petroacoustic models (a combination of petrophysics and rock physics) enhance the ability to extract reservoir properties from seismic data, providing a connection between seismic and fine-scale rock properties. By incorporating sedimentological observations these models can be better constrained and improved. Petroacoustic modelling is complicated by the unpredictable effects of clay minerals and clay-sized particles on geophysical properties. Such effects are responsible for erroneous results when models developed for "clean" reservoirs - such as Gassmann's equation (Gassmann, 1951) - are applied to heterolithic sandstone reservoirs. Gassmann's equation is arguably the most popular petroacoustic modelling technique in the hydrocarbon industry and is used to model elastic effects of changing reservoir fluid saturations. Successful implementation of Gassmann's equation requires well-constrained drained rock frame properties, which in heterolithic sandstones are heavily influenced by reservoir sedimentology, particularly clay distribution. The prevalent approach to categorising clay distribution is based on the Thomas - Stieber model (Thomas & Stieber, 1975), this approach is inconsistent with current understanding of 'shaly sand' sedimentology and omits properties such as sorting and grain size. The novel approach presented here demonstrates that characterising reservoir sedimentology constitutes an important modelling phase. As well as incorporating sedimentological constraints, this novel approach also aims to improve drained frame moduli estimates through more careful consideration of Gassmann's model assumptions and limitations. A key assumption of Gassmann's equation is a pore space in total communication with movable fluids. This assumption is often violated by conventional applications in heterolithic sandstone reservoirs where effective porosity, which

  5. Modeling of oxygen incorporation in Th, ThC, and ThN by density functional theory calculations

    Science.gov (United States)

    Pérez Daroca, D.; Llois, A. M.; Mosca, H. O.

    2017-12-01

    Oxygen incorporation in nuclear fuel materials is an important issue deserving investigation due to its influence on thermophysical and structural properties. Even if there has been a renewed interest in thorium and thorium compounds in the last years, there is still not much research done on this topic. In this work, we study, by means of density functional theory calculations, the incorporation of oxygen in Th, ThC, and ThN. We analyze the electronic structure finding a characteristic peak to be attributed to oxygen incorporation. We also calculate incorporation and solution energies and obtain migration energies of oxygen through different paths finding that migration through vacancy sites is more energetically favorable than through interstitial ones.

  6. A neural population model incorporating dopaminergic neurotransmission during complex voluntary behaviors.

    Directory of Open Access Journals (Sweden)

    Stefan Fürtinger

    2014-11-01

    Full Text Available Assessing brain activity during complex voluntary motor behaviors that require the recruitment of multiple neural sites is a field of active research. Our current knowledge is primarily based on human brain imaging studies that have clear limitations in terms of temporal and spatial resolution. We developed a physiologically informed non-linear multi-compartment stochastic neural model to simulate functional brain activity coupled with neurotransmitter release during complex voluntary behavior, such as speech production. Due to its state-dependent modulation of neural firing, dopaminergic neurotransmission plays a key role in the organization of functional brain circuits controlling speech and language and thus has been incorporated in our neural population model. A rigorous mathematical proof establishing existence and uniqueness of solutions to the proposed model as well as a computationally efficient strategy to numerically approximate these solutions are presented. Simulated brain activity during the resting state and sentence production was analyzed using functional network connectivity, and graph theoretical techniques were employed to highlight differences between the two conditions. We demonstrate that our model successfully reproduces characteristic changes seen in empirical data between the resting state and speech production, and dopaminergic neurotransmission evokes pronounced changes in modeled functional connectivity by acting on the underlying biological stochastic neural model. Specifically, model and data networks in both speech and rest conditions share task-specific network features: both the simulated and empirical functional connectivity networks show an increase in nodal influence and segregation in speech over the resting state. These commonalities confirm that dopamine is a key neuromodulator of the functional connectome of speech control. Based on reproducible characteristic aspects of empirical data, we suggest a number

  7. Incorporating Single-nucleotide Polymorphisms Into the Lyman Model to Improve Prediction of Radiation Pneumonitis

    Energy Technology Data Exchange (ETDEWEB)

    Tucker, Susan L., E-mail: sltucker@mdanderson.org [Department of Bioinformatics and Computational Biology, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Li Minghuan [Department of Radiation Oncology, Shandong Cancer Hospital, Jinan, Shandong (China); Xu Ting; Gomez, Daniel [Department of Radiation Oncology, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Yuan Xianglin [Department of Oncology, Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan (China); Yu Jinming [Department of Radiation Oncology, Shandong Cancer Hospital, Jinan, Shandong (China); Liu Zhensheng; Yin Ming; Guan Xiaoxiang; Wang Lie; Wei Qingyi [Department of Epidemiology, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Mohan, Radhe [Department of Radiation Physics, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Vinogradskiy, Yevgeniy [University of Colorado School of Medicine, Aurora, Colorado (United States); Martel, Mary [Department of Radiation Physics, University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Liao Zhongxing [Department of Radiation Oncology, University of Texas MD Anderson Cancer Center, Houston, Texas (United States)

    2013-01-01

    Purpose: To determine whether single-nucleotide polymorphisms (SNPs) in genes associated with DNA repair, cell cycle, transforming growth factor-{beta}, tumor necrosis factor and receptor, folic acid metabolism, and angiogenesis can significantly improve the fit of the Lyman-Kutcher-Burman (LKB) normal-tissue complication probability (NTCP) model of radiation pneumonitis (RP) risk among patients with non-small cell lung cancer (NSCLC). Methods and Materials: Sixteen SNPs from 10 different genes (XRCC1, XRCC3, APEX1, MDM2, TGF{beta}, TNF{alpha}, TNFR, MTHFR, MTRR, and VEGF) were genotyped in 141 NSCLC patients treated with definitive radiation therapy, with or without chemotherapy. The LKB model was used to estimate the risk of severe (grade {>=}3) RP as a function of mean lung dose (MLD), with SNPs and patient smoking status incorporated into the model as dose-modifying factors. Multivariate analyses were performed by adding significant factors to the MLD model in a forward stepwise procedure, with significance assessed using the likelihood-ratio test. Bootstrap analyses were used to assess the reproducibility of results under variations in the data. Results: Five SNPs were selected for inclusion in the multivariate NTCP model based on MLD alone. SNPs associated with an increased risk of severe RP were in genes for TGF{beta}, VEGF, TNF{alpha}, XRCC1 and APEX1. With smoking status included in the multivariate model, the SNPs significantly associated with increased risk of RP were in genes for TGF{beta}, VEGF, and XRCC3. Bootstrap analyses selected a median of 4 SNPs per model fit, with the 6 genes listed above selected most often. Conclusions: This study provides evidence that SNPs can significantly improve the predictive ability of the Lyman MLD model. With a small number of SNPs, it was possible to distinguish cohorts with >50% risk vs <10% risk of RP when they were exposed to high MLDs.

  8. Incorporating mesh-insensitive structural stress into the fatigue assessment procedure of common structural rules for bulk carriers

    Directory of Open Access Journals (Sweden)

    Seong-Min Kim

    2015-01-01

    Full Text Available This study introduces a fatigue assessment procedure using mesh-insensitive structural stress method based on the Common Structural Rules for Bulk Carriers by considering important factors, such as mean stress and thickness effects. The fatigue assessment result of mesh-insensitive structural stress method have been compared with CSR procedure based on equivalent notch stress at major hot spot points in the area near the ballast hold for a 180 K bulk carrier. The possibility of implementing mesh-insensitive structural stress method in the fatigue assessment procedure for ship structures is discussed.

  9. Lightweight Hybrid Ablator Incorporating Aerogel-Filled Open-Cell Foam Structural Insulator, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — In previous work for NASA and DoD, Ultramet developed lightweight open-cell foam insulators composed of a carbon or ceramic structural foam skeleton filled with a...

  10. A new topology for curved space--time which incorporates the causal, differential, and conformal structures

    International Nuclear Information System (INIS)

    Hawking, S.W.; King, A.R.; McCarthy, P.J.

    1976-01-01

    A new topology is proposed for strongly causal space--times. Unlike the standard manifold topology (which merely characterizes continuity properties), the new topology determines the causal, differential, and conformal structures of space--time. The topology is more appealing, physical, and manageable than the topology previously proposed by Zeeman for Minkowski space. It thus seems that many calculations involving the above structures may be made purely topological

  11. Incorporating Latent Variables into Discrete Choice Models - A Simultaneous Estimation Approach Using SEM Software

    Directory of Open Access Journals (Sweden)

    Dirk Temme

    2008-12-01

    Full Text Available Integrated choice and latent variable (ICLV models represent a promising new class of models which merge classic choice models with the structural equation approach (SEM for latent variables. Despite their conceptual appeal, applications of ICLV models in marketing remain rare. We extend previous ICLV applications by first estimating a multinomial choice model and, second, by estimating hierarchical relations between latent variables. An empirical study on travel mode choice clearly demonstrates the value of ICLV models to enhance the understanding of choice processes. In addition to the usually studied directly observable variables such as travel time, we show how abstract motivations such as power and hedonism as well as attitudes such as a desire for flexibility impact on travel mode choice. Furthermore, we show that it is possible to estimate such a complex ICLV model with the widely available structural equation modeling package Mplus. This finding is likely to encourage more widespread application of this appealing model class in the marketing field.

  12. A Microdosimetric-Kinetic Model of Cell Killing by Irradiation from Permanently Incorporated Radionuclides.

    Science.gov (United States)

    Hawkins, Roland B

    2018-01-01

    An expression for the surviving fraction of a replicating population of cells exposed to permanently incorporated radionuclide is derived from the microdosimetric-kinetic model. It includes dependency on total implant dose, linear energy transfer (LET), decay rate of the radionuclide, the repair rate of potentially lethal lesions in DNA and the volume doubling time of the target population. This is used to obtain an expression for the biologically effective dose ( BED α / β ) based on the minimum survival achieved by the implant that is equivalent to, and can be compared and combined with, the BED α / β calculated for a fractionated course of radiation treatment. Approximate relationships are presented that are useful in the calculation of BED α / β for alpha- or beta-emitting radionuclides with half-life significantly greater than, or nearly equal to, the approximately 1-h repair half-life of radiation-induced potentially lethal lesions.

  13. Track structure in biological models.

    Science.gov (United States)

    Curtis, S B

    1986-01-01

    High-energy heavy ions in the galactic cosmic radiation (HZE particles) may pose a special risk during long term manned space flights outside the sheltering confines of the earth's geomagnetic field. These particles are highly ionizing, and they and their nuclear secondaries can penetrate many centimeters of body tissue. The three dimensional patterns of ionizations they create as they lose energy are referred to as their track structure. Several models of biological action on mammalian cells attempt to treat track structure or related quantities in their formulation. The methods by which they do this are reviewed. The proximity function is introduced in connection with the theory of Dual Radiation Action (DRA). The ion-gamma kill (IGK) model introduces the radial energy-density distribution, which is a smooth function characterizing both the magnitude and extension of a charged particle track. The lethal, potentially lethal (LPL) model introduces lambda, the mean distance between relevant ion clusters or biochemical species along the track. Since very localized energy depositions (within approximately 10 nm) are emphasized, the proximity function as defined in the DRA model is not of utility in characterizing track structure in the LPL formulation.

  14. Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model.

    Science.gov (United States)

    Ma, Songling; Hwang, Sungbo; Lee, Sehan; Acree, William E; No, Kyoung Tai

    2018-04-23

    To describe the physically realistic solvation free energy surface of a molecule in a solvent, a generalized version of the solvation free energy density (G-SFED) calculation method has been developed. In the G-SFED model, the contribution from the hydrogen bond (HB) between a solute and a solvent to the solvation free energy was calculated as the product of the acidity of the donor and the basicity of the acceptor of an HB pair. The acidity and basicity parameters of a solute were derived using the summation of acidities and basicities of the respective acidic and basic functional groups of the solute, and that of the solvent was experimentally determined. Although the contribution of HBs to the solvation free energy could be evenly distributed to grid points on the surface of a molecule, the G-SFED model was still inadequate to describe the angle dependency of the HB of a solute with a polarizable continuum solvent. To overcome this shortcoming of the G-SFED model, the contribution of HBs was formulated using the geometric parameters of the grid points described in the HB coordinate system of the solute. We propose an HB angle dependency incorporated into the G-SFED model, i.e., the G-SFED-HB model, where the angular-dependent acidity and basicity densities are defined and parametrized with experimental data. The G-SFED-HB model was then applied to calculate the solvation free energies of organic molecules in water, various alcohols and ethers, and the log P values of diverse organic molecules, including peptides and a protein. Both the G-SFED model and the G-SFED-HB model reproduced the experimental solvation free energies with similar accuracy, whereas the distributions of the SFED on the molecular surface calculated by the G-SFED and G-SFED-HB models were quite different, especially for molecules having HB donors or acceptors. Since the angle dependency of HBs was included in the G-SFED-HB model, the SFED distribution of the G-SFED-HB model is well described

  15. Development of a morphing structure with the incorporation of central pattern generators

    Science.gov (United States)

    Bliss, Thomas K.; Bart-Smith, Hilary; Iwasaki, Tetsuya

    2006-03-01

    The Manta Ray, Manta birostris, is an amazing creature, propelling itself through the water with the elegant and complex flapping of its wings. Achieving outstanding efficiencies, engineers are looking for ways to mimic its flight through the water and harness its propulsive techniques. This study combines two biologically inspired aspects to achieve this goal: morphing structures actuated with a biomimetic neural network control system. It is believed that this combination will prove capable of producing the oscillatory motions necessary for locomotion. In this paper, a four-truss structure with three actuators is chosen and its performance capabilities are analyzed. A synthetic central pattern generator, which provides the fundamental control mechanisms for rhythmic motion in animals, is designed to realize an oscillatory control of the three actuators. The control system is simulated using Matlab, then combined with LabVIEW to control the four-truss structure. The system's performance is analyzed, with specific attention to both transient and steady-state behavior.

  16. Interactions of triglycerides with phospholipids: Incorporation into the bilayer structure and formation of emulsions

    International Nuclear Information System (INIS)

    Hamilton, J.A.

    1989-01-01

    Interactions of carbonyl 13 C-enriched triacylglycerols (TG) with phospholipid bilayers were studied by 13 C NMR spectroscopy. In spectra of DPPC vesicles with TG at 40-50 degree C, both triolein (TO) and tripalmitin (TP) had narrow carbonyl resonances, indicative of rapid motions, and chemical shifts indicative of H bonding of the TG carbonyls with solvent (H 2 O) at the aqueous interfaces of the vesicle bilayer. Below the phase transition temperature of the DPPC/TG vesicles, most phospholipid peaks broadened markedly. In DPPC vesicles with TP, the TP carbonyl peaks broadened beyond detection below the transition, whereas in vesicles with TO, the TO carbonyl peaks showed little change in line width or chemical shift and no change in the integrated intensity. These properties (extent of solubility in the PC surface, conformation, solvent accessibility, and molecular mobility) may be important for enzymatic hydrolysis and protein-mediated transfer of TG. In gel-phase DPPC, the molecular mobility of the TG depends on the nature of the TG acyl chains. In the DPPC/TG mixtures studied, attempts to incorporate TG in excess of the bilayer solubility resulted in production of emulsion particles. The significance of these results for TG metabolism is discussed

  17. Shielded loaded bowtie antenna incorporating the presence of paving structure for improved GPR pipe detection

    Science.gov (United States)

    Seyfried, Daniel; Jansen, Ronald; Schoebel, Joerg

    2014-12-01

    In civil engineering Ground Penetrating Radar becomes more and more a considerable tool for nondestructive testing and exploration of the underground. For example, the detection of existence of utilization pipe networks prior to construction works or detection of damaged spot beneath a paved street is a highly advantageous application. However, different surface conditions as well as ground bounce reflection and antenna cross-talk may seriously affect the detection capability of the entire radar system. Therefore, proper antenna design is an essential part in order to obtain radar data of high quality. In this paper we redesign a given loaded bowtie antenna in order to reduce strong and unwanted signal contributions such as ground bounce reflection and antenna cross-talk. During the optimization process we also review all parameters of our existing antenna in order to maximize energy transfer into ground. The entire process incorporating appropriate simulations along with running measurements on our GPR test site where we buried different types of pipes and cables for testing and developing radar hardware and software algorithms under quasi-real conditions is described in this paper.

  18. A Non-Isothermal Chemical Lattice Boltzmann Model Incorporating Thermal Reaction Kinetics and Enthalpy Changes

    Directory of Open Access Journals (Sweden)

    Stuart Bartlett

    2017-08-01

    Full Text Available The lattice Boltzmann method is an efficient computational fluid dynamics technique that can accurately model a broad range of complex systems. As well as single-phase fluids, it can simulate thermohydrodynamic systems and passive scalar advection. In recent years, it also gained attention as a means of simulating chemical phenomena, as interest in self-organization processes increased. This paper will present a widely-used and versatile lattice Boltzmann model that can simultaneously incorporate fluid dynamics, heat transfer, buoyancy-driven convection, passive scalar advection, chemical reactions and enthalpy changes. All of these effects interact in a physically accurate framework that is simple to code and readily parallelizable. As well as a complete description of the model equations, several example systems will be presented in order to demonstrate the accuracy and versatility of the method. New simulations, which analyzed the effect of a reversible reaction on the transport properties of a convecting fluid, will also be described in detail. This extra chemical degree of freedom was utilized by the system to augment its net heat flux. The numerical method outlined in this paper can be readily deployed for a vast range of complex flow problems, spanning a variety of scientific disciplines.

  19. Incorporation of a Wind Generator Model into a Dynamic Power Flow Analysis

    Directory of Open Access Journals (Sweden)

    Angeles-Camacho C.

    2011-07-01

    Full Text Available Wind energy is nowadays one of the most cost-effective and practical options for electric generation from renewable resources. However, increased penetration of wind generation causes the power networks to be more depend on, and vulnerable to, the varying wind speed. Modeling is a tool which can provide valuable information about the interaction between wind farms and the power network to which they are connected. This paper develops a realistic characterization of a wind generator. The wind generator model is incorporated into an algorithm to investigate its contribution to the stability of the power network in the time domain. The tool obtained is termed dynamic power flow. The wind generator model takes on account the wind speed and the reactive power consumption by induction generators. Dynamic power flow analysis is carried-out using real wind data at 10-minute time intervals collected for one meteorological station. The generation injected at one point into the network provides active power locally and is found to reduce global power losses. However, the power supplied is time-varying and causes fluctuations in voltage magnitude and power fl ows in transmission lines.

  20. Structure and modeling of turbulence

    International Nuclear Information System (INIS)

    Novikov, E.A.

    1995-01-01

    The open-quotes vortex stringsclose quotes scale l s ∼ LRe -3/10 (L-external scale, Re - Reynolds number) is suggested as a grid scale for the large-eddy simulation. Various aspects of the structure of turbulence and subgrid modeling are described in terms of conditional averaging, Markov processes with dependent increments and infinitely divisible distributions. The major request from the energy, naval, aerospace and environmental engineering communities to the theory of turbulence is to reduce the enormous number of degrees of freedom in turbulent flows to a level manageable by computer simulations. The vast majority of these degrees of freedom is in the small-scale motion. The study of the structure of turbulence provides a basis for subgrid-scale (SGS) models, which are necessary for the large-eddy simulations (LES)

  1. A model for adatom structures

    Science.gov (United States)

    Kappus, W.

    1981-06-01

    A model concerning adatom structures is proposed. Attractive nearest neighbour interactions, which may be of electronic nature lead to 2-dimensional condensation. Every pair bond causes and elastic dipole. The elastic dipoles interact via substrate strains with an anisotropic s -3 power law. Different types of adatoms or sites are permitted and many-body effects result, from the assumptions. Electric dipole interactions of adatoms are included for comparison. The model is applied to the W(110) surface and compared with superstructures experimentally found in the W(110)-0 system. It is found that there is still lack for an additional next-nearest neighbour interaction.

  2. Structural and kinetic insights into binding and incorporation of L-nucleotide analogs by a Y-family DNA polymerase

    OpenAIRE

    Gaur, Vineet; Vyas, Rajan; Fowler, Jason D.; Efthimiopoulos, Georgia; Feng, Joy Y.; Suo, Zucai

    2014-01-01

    Considering that all natural nucleotides (D-dNTPs) and the building blocks (D-dNMPs) of DNA chains possess D-stereochemistry, DNA polymerases and reverse transcriptases (RTs) likely possess strongD-stereoselectivity by preferably binding and incorporating D-dNTPs over unnatural L-dNTPs during DNA synthesis. Surprisingly, a structural basis for the discrimination against L-dNTPs by DNA polymerases or RTs has not been established although L-deoxycytidine analogs (lamivudine and emtricitabine) a...

  3. Pilot batch production of specific-structured lipids by lipase-catalyzed interesterification: preliminary study on incorporation and acyl migration

    DEFF Research Database (Denmark)

    Xu, Xuebing; Balchen, Steen; Høy, Carl-Erik

    1998-01-01

    Effects of water content, reaction time and their relationships in the production of two types of specific-structured lipids (sn-MLM- and sn-LML-types: L-long chain fatty acids; M-medium chain fatty acids) by lipase-catalyzed interesterification in a solvent-free system were studied...... of two totally position-opposed lipids can be observed. Presumably these are caused by the different chain length of the fatty acids. The relationships between reaction time and water content are inverse and give a quantitative prediction of incorporation and acyl migration in selected reaction...

  4. Incorporating an extended dendritic growth model into the CAFE model for rapidly solidified non-dilute alloys

    International Nuclear Information System (INIS)

    Ma, Jie; Wang, Bo; Zhao, Shunli; Wu, Guangxin; Zhang, Jieyu; Yang, Zhiliang

    2016-01-01

    We have extended the dendritic growth model first proposed by Boettinger, Coriell and Trivedi (here termed EBCT) for microstructure simulations of rapidly solidified non-dilute alloys. The temperature-dependent distribution coefficient, obtained from calculations of phase equilibria, and the continuous growth model (CGM) were adopted in the present EBCT model to describe the solute trapping behaviors. The temperature dependence of the physical properties, which were not used in previous dendritic growth models, were also considered in the present EBCT model. These extensions allow the present EBCT model to be used for microstructure simulations of non-dilute alloys. The comparison of the present EBCT model with the BCT model proves that the considerations of the distribution coefficient and physical properties are necessary for microstructure simulations, especially for small particles with high undercoolings. Finally, the EBCT model was incorporated into the cellular automaton-finite element (CAFE) model to simulate microstructures of gas-atomized ASP30 high speed steel particles that were then compared with experimental results. Both the simulated and experimental results reveal that a columnar dendritic microstructure preferentially forms in small particles and an equiaxed microstructure forms otherwise. The applications of the present EBCT model provide a convenient way to predict the microstructure of non-dilute alloys. - Highlights: • A dendritic growth model was developed considering non-equilibrium distribution coefficient. • The physical properties with temperature dependence were considered in the extended model. • The extended model can be used to non-dilute alloys and the extensions are necessary in small particles. • Microstructure of ASP30 steel was investigated using the present model and verified by experiment.

  5. Incorporating an extended dendritic growth model into the CAFE model for rapidly solidified non-dilute alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Jie; Wang, Bo [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Shanghai Engineering Technology Research Center of Special Casting, Shanghai 201605 (China); Zhao, Shunli [Research Institute, Baoshan Iron & Steel Co., Ltd, Shanghai 201900 (China); Wu, Guangxin [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Shanghai Engineering Technology Research Center of Special Casting, Shanghai 201605 (China); Zhang, Jieyu, E-mail: zjy6162@staff.shu.edu.cn [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Shanghai Engineering Technology Research Center of Special Casting, Shanghai 201605 (China); Yang, Zhiliang [State Key Laboratory of Advanced Special Steel, Shanghai University, Shanghai 200072 (China); Shanghai Engineering Technology Research Center of Special Casting, Shanghai 201605 (China)

    2016-05-25

    We have extended the dendritic growth model first proposed by Boettinger, Coriell and Trivedi (here termed EBCT) for microstructure simulations of rapidly solidified non-dilute alloys. The temperature-dependent distribution coefficient, obtained from calculations of phase equilibria, and the continuous growth model (CGM) were adopted in the present EBCT model to describe the solute trapping behaviors. The temperature dependence of the physical properties, which were not used in previous dendritic growth models, were also considered in the present EBCT model. These extensions allow the present EBCT model to be used for microstructure simulations of non-dilute alloys. The comparison of the present EBCT model with the BCT model proves that the considerations of the distribution coefficient and physical properties are necessary for microstructure simulations, especially for small particles with high undercoolings. Finally, the EBCT model was incorporated into the cellular automaton-finite element (CAFE) model to simulate microstructures of gas-atomized ASP30 high speed steel particles that were then compared with experimental results. Both the simulated and experimental results reveal that a columnar dendritic microstructure preferentially forms in small particles and an equiaxed microstructure forms otherwise. The applications of the present EBCT model provide a convenient way to predict the microstructure of non-dilute alloys. - Highlights: • A dendritic growth model was developed considering non-equilibrium distribution coefficient. • The physical properties with temperature dependence were considered in the extended model. • The extended model can be used to non-dilute alloys and the extensions are necessary in small particles. • Microstructure of ASP30 steel was investigated using the present model and verified by experiment.

  6. Search-based model identification of smart-structure damage

    Science.gov (United States)

    Glass, B. J.; Macalou, A.

    1991-01-01

    This paper describes the use of a combined model and parameter identification approach, based on modal analysis and artificial intelligence (AI) techniques, for identifying damage or flaws in a rotating truss structure incorporating embedded piezoceramic sensors. This smart structure example is representative of a class of structures commonly found in aerospace systems and next generation space structures. Artificial intelligence techniques of classification, heuristic search, and an object-oriented knowledge base are used in an AI-based model identification approach. A finite model space is classified into a search tree, over which a variant of best-first search is used to identify the model whose stored response most closely matches that of the input. Newly-encountered models can be incorporated into the model space. This adaptativeness demonstrates the potential for learning control. Following this output-error model identification, numerical parameter identification is used to further refine the identified model. Given the rotating truss example in this paper, noisy data corresponding to various damage configurations are input to both this approach and a conventional parameter identification method. The combination of the AI-based model identification with parameter identification is shown to lead to smaller parameter corrections than required by the use of parameter identification alone.

  7. Incorporating H2 Dynamics and Inhibition into a Microbially Based Methanogenesis Model for Restored Wetland Sediments

    Science.gov (United States)

    Pal, David; Jaffe, Peter

    2015-04-01

    Estimates of global CH4 emissions from wetlands indicate that wetlands are the largest natural source of CH4 to the atmosphere. In this paper, we propose that there is a missing component to these models that should be addressed. CH4 is produced in wetland sediments from the microbial degradation of organic carbon through multiple fermentation steps and methanogenesis pathways. There are multiple sources of carbon for methananogenesis; in vegetated wetland sediments, microbial communities consume root exudates as a major source of organic carbon. In many methane models propionate is used as a model carbon molecule. This simple sugar is fermented into acetate and H2, acetate is transformed to methane and CO2, while the H2 and CO2 are used to form an additional CH4 molecule. The hydrogenotrophic pathway involves the equilibrium of two dissolved gases, CH4 and H2. In an effort to limit CH4 emissions from wetlands, there has been growing interest in finding ways to limit plant transport of soil gases through root systems. Changing planted species, or genetically modifying new species of plants may control this transport of soil gases. While this may decrease the direct emissions of methane, there is little understanding about how H2 dynamics may feedback into overall methane production. The results of an incubation study were combined with a new model of propionate degradation for methanogenesis that also examines other natural parameters (i.e. gas transport through plants). This presentation examines how we would expect this model to behave in a natural field setting with changing sulfate and carbon loading schemes. These changes can be controlled through new plant species and other management practices. Next, we compare the behavior of two variations of this model, with or without the incorporation of H2 interactions, with changing sulfate, carbon loading and root volatilization. Results show that while the models behave similarly there may be a discrepancy of nearly

  8. Ionochromic effects and structures of metalated poly(p-phenylenevinylene) polymers incorporating 2,2'-bipyridines

    International Nuclear Information System (INIS)

    Chen, L.X.; Jager, W.J.H.; Gosztola, D.J.; Niemczyk, M.P.; Wasielewski, M.R.

    2000-01-01

    The effects of metal ion chelation to the 2,2'-bipyridine (bpy) groups on the photophysics and exciton dynamics of two conjugated polymers 1 and 2 in solution are investigated. The structures of polymers 1 and 2 have 2,2'-bipyridyl-5-vinylene units that alternate with one and three 2,5-bis(n-decyloxy)-1,4-phenylenevinylene monomer units, respectively. The photophysics and exciton dynamics of metalated polymers 1 and 2 are compared to those of the metal-free polymers (Chen et al. J. Phys. Chem. A 1999, 103, 4341-4351). The origins of ionochromic effects due the metal ion chelation were studied using both steady-state and transient optical spectroscopy, and the results indicate that both conformational flattening and participation of Jr electrons from the metal in the π-conjugation of the polymer backbone play important roles in metal ion binding induced red shifts in absorption and photoluminescence spectra. The photoluminescence properties of the metalated polymers are determined by the metal ion electronic structures, where the closed shell Zn 2+ -bound polymer 2 has an increased photoluminescence quantum yield and the corresponding open shell Ni 2+ - or Fe 3+ -bound polymers have quenched photoluminescence due to spin-orbit coupling. The dual character of metalated polymer 2 as a conjugated polymer and as a metal-bpy complex is discussed. In addition, the structures of metal ion binding sites are studied via X-ray absorption fine structure (XAFS) and are related to the photophysical properties of the metalated polymers

  9. The effect of coumaryl alcohol incorporation on the structure and composition of lignin dehydrogenation polymers.

    Science.gov (United States)

    Harman-Ware, Anne E; Happs, Renee M; Davison, Brian H; Davis, Mark F

    2017-01-01

    Lignin dehydrogenation polymers (DHPs) are polymers generated from phenolic precursors for the purpose of studying lignin structure and polymerization processes. Here, DHPs were synthesized using a Zutropfverfahren method with horseradish peroxidase and three lignin monomers, sinapyl (S), coumaryl (H), and coniferyl (G) alcohols, in the presence of hydrogen peroxide. The H monomer was reacted with G and a 1:1 molar mixture of S:G monomers at H molar compositions of 0, 5, 10, and 20 mol% to study how the presence of the H monomer affected the structure and composition of the recovered polymers. At low H concentrations, solid-state NMR spectra suggest that the H and G monomers interact to form G:H polymers that have a lower average molecular weight than the solely G-based polymer or the G:H polymer produced at higher H concentrations. Solid-state NMR and pyrolysis-MBMS analyses suggest that at higher H concentrations, the H monomer primarily self-polymerizes to produce clusters of H-based polymer that are segregated from clusters of G- or S:G-based polymers. Thioacidolysis generally showed higher recoveries of thioethylated products from S:G or S:G:H polymers made with higher H content, indicating an increase in the linear ether linkages. Overall, the experimental results support theoretical predictions for the reactivity and structural influences of the H monomer on the formation of lignin-like polymers.

  10. Practical Soil-Shallow Foundation Model for Nonlinear Structural Analysis

    Directory of Open Access Journals (Sweden)

    Moussa Leblouba

    2016-01-01

    Full Text Available Soil-shallow foundation interaction models that are incorporated into most structural analysis programs generally lack accuracy and efficiency or neglect some aspects of foundation behavior. For instance, soil-shallow foundation systems have been observed to show both small and large loops under increasing amplitude load reversals. This paper presents a practical macroelement model for soil-shallow foundation system and its stability under simultaneous horizontal and vertical loads. The model comprises three spring elements: nonlinear horizontal, nonlinear rotational, and linear vertical springs. The proposed macroelement model was verified using experimental test results from large-scale model foundations subjected to small and large cyclic loading cases.

  11. Estimating disperser abundance using open population models that incorporate data from continuous detection PIT arrays

    Science.gov (United States)

    Dzul, Maria C.; Yackulic, Charles B.; Korman, Josh

    2017-01-01

    Autonomous passive integrated transponder (PIT) tag antenna systems continuously detect individually marked organisms at one or more fixed points over long time periods. Estimating abundance using data from autonomous antennae can be challenging, because these systems do not detect unmarked individuals. Here we pair PIT antennae data from a tributary with mark-recapture sampling data in a mainstem river to estimate the number of fish moving from the mainstem to the tributary. We then use our model to estimate abundance of non-native rainbow trout Oncorhynchus mykiss that move from the Colorado River to the Little Colorado River (LCR), the latter of which is important spawning and rearing habitat for federally-endangered humpback chub Gila cypha. We estimate 226 rainbow trout (95% CI: 127-370) entered the LCR from October 2013-April 2014. We discuss the challenges of incorporating detections from autonomous PIT antenna systems into mark-recapture population models, particularly in regards to using information about spatial location to estimate movement and detection probabilities.

  12. Incorporating a Wheeled Vehicle Model in a New Monocular Visual Odometry Algorithm for Dynamic Outdoor Environments

    Science.gov (United States)

    Jiang, Yanhua; Xiong, Guangming; Chen, Huiyan; Lee, Dah-Jye

    2014-01-01

    This paper presents a monocular visual odometry algorithm that incorporates a wheeled vehicle model for ground vehicles. The main innovation of this algorithm is to use the single-track bicycle model to interpret the relationship between the yaw rate and side slip angle, which are the two most important parameters that describe the motion of a wheeled vehicle. Additionally, the pitch angle is also considered since the planar-motion hypothesis often fails due to the dynamic characteristics of wheel suspensions and tires in real-world environments. Linearization is used to calculate a closed-form solution of the motion parameters that works as a hypothesis generator in a RAndom SAmple Consensus (RANSAC) scheme to reduce the complexity in solving equations involving trigonometric. All inliers found are used to refine the winner solution through minimizing the reprojection error. Finally, the algorithm is applied to real-time on-board visual localization applications. Its performance is evaluated by comparing against the state-of-the-art monocular visual odometry methods using both synthetic data and publicly available datasets over several kilometers in dynamic outdoor environments. PMID:25256109

  13. Incorporating Measurement Error from Modeled Air Pollution Exposures into Epidemiological Analyses.

    Science.gov (United States)

    Samoli, Evangelia; Butland, Barbara K

    2017-12-01

    Outdoor air pollution exposures used in epidemiological studies are commonly predicted from spatiotemporal models incorporating limited measurements, temporal factors, geographic information system variables, and/or satellite data. Measurement error in these exposure estimates leads to imprecise estimation of health effects and their standard errors. We reviewed methods for measurement error correction that have been applied in epidemiological studies that use model-derived air pollution data. We identified seven cohort studies and one panel study that have employed measurement error correction methods. These methods included regression calibration, risk set regression calibration, regression calibration with instrumental variables, the simulation extrapolation approach (SIMEX), and methods under the non-parametric or parameter bootstrap. Corrections resulted in small increases in the absolute magnitude of the health effect estimate and its standard error under most scenarios. Limited application of measurement error correction methods in air pollution studies may be attributed to the absence of exposure validation data and the methodological complexity of the proposed methods. Future epidemiological studies should consider in their design phase the requirements for the measurement error correction method to be later applied, while methodological advances are needed under the multi-pollutants setting.

  14. Incorporating a Wheeled Vehicle Model in a New Monocular Visual Odometry Algorithm for Dynamic Outdoor Environments

    Directory of Open Access Journals (Sweden)

    Yanhua Jiang

    2014-09-01

    Full Text Available This paper presents a monocular visual odometry algorithm that incorporates a wheeled vehicle model for ground vehicles. The main innovation of this algorithm is to use the single-track bicycle model to interpret the relationship between the yaw rate and side slip angle, which are the two most important parameters that describe the motion of a wheeled vehicle. Additionally, the pitch angle is also considered since the planar-motion hypothesis often fails due to the dynamic characteristics of wheel suspensions and tires in real-world environments. Linearization is used to calculate a closed-form solution of the motion parameters that works as a hypothesis generator in a RAndom SAmple Consensus (RANSAC scheme to reduce the complexity in solving equations involving trigonometric. All inliers found are used to refine the winner solution through minimizing the reprojection error. Finally, the algorithm is applied to real-time on-board visual localization applications. Its performance is evaluated by comparing against the state-of-the-art monocular visual odometry methods using both synthetic data and publicly available datasets over several kilometers in dynamic outdoor environments.

  15. Exciton delocalization incorporated drift-diffusion model for bulk-heterojunction organic solar cells

    Science.gov (United States)

    Wang, Zi Shuai; Sha, Wei E. I.; Choy, Wallace C. H.

    2016-12-01

    Modeling the charge-generation process is highly important to understand device physics and optimize power conversion efficiency of bulk-heterojunction organic solar cells (OSCs). Free carriers are generated by both ultrafast exciton delocalization and slow exciton diffusion and dissociation at the heterojunction interface. In this work, we developed a systematic numerical simulation to describe the charge-generation process by a modified drift-diffusion model. The transport, recombination, and collection of free carriers are incorporated to fully capture the device response. The theoretical results match well with the state-of-the-art high-performance organic solar cells. It is demonstrated that the increase of exciton delocalization ratio reduces the energy loss in the exciton diffusion-dissociation process, and thus, significantly improves the device efficiency, especially for the short-circuit current. By changing the exciton delocalization ratio, OSC performances are comprehensively investigated under the conditions of short-circuit and open-circuit. Particularly, bulk recombination dependent fill factor saturation is unveiled and understood. As a fundamental electrical analysis of the delocalization mechanism, our work is important to understand and optimize the high-performance OSCs.

  16. Evaluation of five dry particle deposition parameterizations for incorporation into atmospheric transport models

    Science.gov (United States)

    Khan, Tanvir R.; Perlinger, Judith A.

    2017-10-01

    the three most influential parameters in all parameterizations. For giant particles (dp = 10 µm), relative humidity was the most influential parameter. Because it is the least complex of the five parameterizations, and it has the greatest accuracy and least uncertainty, we propose that the ZH14 parameterization is currently superior for incorporation into atmospheric transport models.

  17. Evaluation of five dry particle deposition parameterizations for incorporation into atmospheric transport models

    Directory of Open Access Journals (Sweden)

    T. R. Khan

    2017-10-01

    µm, friction velocity was one of the three most influential parameters in all parameterizations. For giant particles (dp  =  10 µm, relative humidity was the most influential parameter. Because it is the least complex of the five parameterizations, and it has the greatest accuracy and least uncertainty, we propose that the ZH14 parameterization is currently superior for incorporation into atmospheric transport models.

  18. Spinal motor control system incorporates an internal model of limb dynamics.

    Science.gov (United States)

    Shimansky, Y P

    2000-10-01

    The existence and utilization of an internal representation of the controlled object is one of the most important features of the functioning of neural motor control systems. This study demonstrates that this property already exists at the level of the spinal motor control system (SMCS), which is capable of generating motor patterns for reflex rhythmic movements, such as locomotion and scratching, without the aid of the peripheral afferent feedback, but substantially modifies the generated activity in response to peripheral afferent stimuli. The SMCS is presented as an optimal control system whose optimality requires that it incorporate an internal model (IM) of the controlled object's dynamics. A novel functional mechanism for the integration of peripheral sensory signals with the corresponding predictive output from the IM, the summation of information precision (SIP) is proposed. In contrast to other models in which the correction of the internal representation of the controlled object's state is based on the calculation of a mismatch between the internal and external information sources, the SIP mechanism merges the information from these sources in order to optimize the precision of the controlled object's state estimate. It is demonstrated, based on scratching in decerebrate cats as an example of the spinal control of goal-directed movements, that the results of computer modeling agree with the experimental observations related to the SMCS's reactions to phasic and tonic peripheral afferent stimuli. It is also shown that the functional requirements imposed by the mathematical model of the SMCS comply with the current knowledge about the related properties of spinal neuronal circuitry. The crucial role of the spinal presynaptic inhibition mechanism in the neuronal implementation of SIP is elucidated. Important differences between the IM and a state predictor employed for compensating for a neural reflex time delay are discussed.

  19. Structural properties of alkaline sodium lead fluoride borate glasses incorporated with Praseodymium ion

    Science.gov (United States)

    Lenkennavar, Susheela K.; Madhu, A.; Eraiah, B.; Kokila, M. K.

    2018-05-01

    The effect of different alkaline and Pr ions on the density and structure of Na2O-PbO-MO-B2O3 (M represents Ba/Ca/Sr) has been investigated using X-ray diffraction (XRD), infrared spectrophotometer (FTIR). The amorphous phase has been identified based on X-ray diffraction analysis. The Praseodymium oxide plays the role as a glass-modifier and influences on BO3↔BO4 conversion. The same effect is also observed in density and molar volume variation due to non bridging oxygen's (NBO) created when BO3 units are converted.

  20. Incorporating Structural Health Monitoring in the design of slip formed concrete wind turbine towers

    DEFF Research Database (Denmark)

    Hovgaard, Mads Knude

    , where the development of riskbased inspection for offshore structures has been economically motivated, the economic value added by SHM has been somewhat neglected. With a starting point in the business case of wind turbine towers made of concrete, this thesis sets up the framework for the assessing...... is different which require a different approach. As exact solution is intractable, various approximations using surrogate objective functions from detection theory, filters, decision rules and Limited Memory Influence Diagrams (LIMID) are investigated. The main focus is on damage detection but the value...

  1. Effect of antimony incorporation on structural properties of CuInS{sub 2} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ben Rabeh, M., E-mail: mohamedbenrabeh@yahoo.f [Laboratoire de Photovoltaique et Materiaux Semi-Conducteurs - ENIT BP 37, Le belvedere, 1002 Tunis (Tunisia); Chaglabou, N., E-mail: nadia_chaglabou@yahoo.f [Laboratoire de Photovoltaique et Materiaux Semi-Conducteurs - ENIT BP 37, Le belvedere, 1002 Tunis (Tunisia); Kanzari, M., E-mail: Mounir.Kanzari@ipeit.rnu.t [Laboratoire de Photovoltaique et Materiaux Semi-Conducteurs - ENIT BP 37, Le belvedere, 1002 Tunis (Tunisia)

    2010-02-15

    CuInS{sub 2} (CIS) single crystals doped with 1, 2, 3 and 4 atomic percent (at.%) of antimony (Sb) were grown by the horizontal Bridgman method. The effect of Sb doping on the structural properties of CIS crystal was studied by means of X-ray diffraction (XRD), energy dispersive X-ray analysis (EDAX), scanning electron microscopy (SEM) and PL measurements. X-ray diffraction data suggests that the doping of Sb in the CIS single crystals does not affect the tetragonal (chalcopyrite) crystal structure and exhibited a (1 1 2) preferred orientation. In addition, with increasing Sb concentration, the X-ray diffraction analysis show that Sb doped CIS crystals are more crystallized and the diffraction peaks of the CuInS{sub 2} phase were more pronounced in particular the (1 1 2) plane. EDAX study revealed that Sb atoms can occupy the indium site and/or occupying the sulfur site to make an acceptor. PL spectra of undoped and Sb doped CIS crystals show two emission peaks at 1.52 and 1.62 eV, respectively which decreased with increasing atomic percent antimony. Sb doped CIS crystals show p-type conductivity.

  2. Effect of antimony incorporation on structural properties of CuInS2 crystals

    International Nuclear Information System (INIS)

    Ben Rabeh, M.; Chaglabou, N.; Kanzari, M.

    2010-01-01

    CuInS 2 (CIS) single crystals doped with 1, 2, 3 and 4 atomic percent (at.%) of antimony (Sb) were grown by the horizontal Bridgman method. The effect of Sb doping on the structural properties of CIS crystal was studied by means of X-ray diffraction (XRD), energy dispersive X-ray analysis (EDAX), scanning electron microscopy (SEM) and PL measurements. X-ray diffraction data suggests that the doping of Sb in the CIS single crystals does not affect the tetragonal (chalcopyrite) crystal structure and exhibited a (1 1 2) preferred orientation. In addition, with increasing Sb concentration, the X-ray diffraction analysis show that Sb doped CIS crystals are more crystallized and the diffraction peaks of the CuInS 2 phase were more pronounced in particular the (1 1 2) plane. EDAX study revealed that Sb atoms can occupy the indium site and/or occupying the sulfur site to make an acceptor. PL spectra of undoped and Sb doped CIS crystals show two emission peaks at 1.52 and 1.62 eV, respectively which decreased with increasing atomic percent antimony. Sb doped CIS crystals show p-type conductivity.

  3. An improved analytical model of 4H-SiC MESFET incorporating bulk and interface trapping effects

    Science.gov (United States)

    Hema Lata Rao, M.; Narasimha Murty, N. V. L.

    2015-01-01

    An improved analytical model for the current—voltage (I-V) characteristics of the 4H-SiC metal semiconductor field effect transistor (MESFET) on a high purity semi-insulating (HPSI) substrate with trapping and thermal effects is presented. The 4H-SiC MESFET structure includes a stack of HPSI substrates and a uniformly doped channel layer. The trapping effects include both the effect of multiple deep-level traps in the substrate and surface traps between the gate to source/drain. The self-heating effects are also incorporated to obtain the accurate and realistic nature of the analytical model. The importance of the proposed model is emphasised through the inclusion of the recent and exact nature of the traps in the 4H-SiC HPSI substrate responsible for substrate compensation. The analytical model is used to exhibit DC I-V characteristics of the device with and without trapping and thermal effects. From the results, the current degradation is observed due to the surface and substrate trapping effects and the negative conductance introduced by the self-heating effect at a high drain voltage. The calculated results are compared with reported experimental and two-dimensional simulations (Silvaco®-TCAD). The proposed model also illustrates the effectiveness of the gate—source distance scaling effect compared to the gate—drain scaling effect in optimizing 4H-SiC MESFET performance. Results demonstrate that the proposed I-V model of 4H-SiC MESFET is suitable for realizing SiC based monolithic circuits (MMICs) on HPSI substrates.

  4. An improved analytical model of 4H-SiC MESFET incorporating bulk and interface trapping effects

    International Nuclear Information System (INIS)

    Rao, M. Hema Lata; Murty, N. V. L. Narasimha

    2015-01-01

    An improved analytical model for the current—voltage (I–V) characteristics of the 4H-SiC metal semiconductor field effect transistor (MESFET) on a high purity semi-insulating (HPSI) substrate with trapping and thermal effects is presented. The 4H-SiC MESFET structure includes a stack of HPSI substrates and a uniformly doped channel layer. The trapping effects include both the effect of multiple deep-level traps in the substrate and surface traps between the gate to source/drain. The self-heating effects are also incorporated to obtain the accurate and realistic nature of the analytical model. The importance of the proposed model is emphasised through the inclusion of the recent and exact nature of the traps in the 4H-SiC HPSI substrate responsible for substrate compensation. The analytical model is used to exhibit DC I–V characteristics of the device with and without trapping and thermal effects. From the results, the current degradation is observed due to the surface and substrate trapping effects and the negative conductance introduced by the self-heating effect at a high drain voltage. The calculated results are compared with reported experimental and two-dimensional simulations (Silvaco®-TCAD). The proposed model also illustrates the effectiveness of the gate—source distance scaling effect compared to the gate—drain scaling effect in optimizing 4H-SiC MESFET performance. Results demonstrate that the proposed I–V model of 4H-SiC MESFET is suitable for realizing SiC based monolithic circuits (MMICs) on HPSI substrates. (semiconductor devices)

  5. Incorporating Geochemical And Microbial Kinetics In Reactive Transport Models For Generation Of Acid Rock Drainage

    Science.gov (United States)

    Andre, B. J.; Rajaram, H.; Silverstein, J.

    2010-12-01

    diffusion model at the scale of a single rock is developed incorporating the proposed kinetic rate expressions. Simulations of initiation, washout and AMD flows are discussed to gain a better understanding of the role of porosity, effective diffusivity and reactive surface area in generating AMD. Simulations indicate that flow boundary conditions control generation of acid rock drainage as porosity increases.

  6. Fast flexible modeling of RNA structure using internal coordinates.

    Science.gov (United States)

    Flores, Samuel Coulbourn; Sherman, Michael A; Bruns, Christopher M; Eastman, Peter; Altman, Russ Biagio

    2011-01-01

    Modeling the structure and dynamics of large macromolecules remains a critical challenge. Molecular dynamics (MD) simulations are expensive because they model every atom independently, and are difficult to combine with experimentally derived knowledge. Assembly of molecules using fragments from libraries relies on the database of known structures and thus may not work for novel motifs. Coarse-grained modeling methods have yielded good results on large molecules but can suffer from difficulties in creating more detailed full atomic realizations. There is therefore a need for molecular modeling algorithms that remain chemically accurate and economical for large molecules, do not rely on fragment libraries, and can incorporate experimental information. RNABuilder works in the internal coordinate space of dihedral angles and thus has time requirements proportional to the number of moving parts rather than the number of atoms. It provides accurate physics-based response to applied forces, but also allows user-specified forces for incorporating experimental information. A particular strength of RNABuilder is that all Leontis-Westhof basepairs can be specified as primitives by the user to be satisfied during model construction. We apply RNABuilder to predict the structure of an RNA molecule with 160 bases from its secondary structure, as well as experimental information. Our model matches the known structure to 10.2 Angstroms RMSD and has low computational expense.

  7. Incorporating shape constraints in generalized additive modelling of the height-diameter relationship for Norway spruce

    Directory of Open Access Journals (Sweden)

    Natalya Pya

    2016-02-01

    Full Text Available Background: Measurements of tree heights and diameters are essential in forest assessment and modelling. Tree heights are used for estimating timber volume, site index and other important variables related to forest growth and yield, succession and carbon budget models. However, the diameter at breast height (dbh can be more accurately obtained and at lower cost, than total tree height. Hence, generalized height-diameter (h-d models that predict tree height from dbh, age and other covariates are needed. For a more flexible but biologically plausible estimation of covariate effects we use shape constrained generalized additive models as an extension of existing h-d model approaches. We use causal site parameters such as index of aridity to enhance the generality and causality of the models and to enable predictions under projected changeable climatic conditions. Methods: We develop unconstrained generalized additive models (GAM and shape constrained generalized additive models (SCAM for investigating the possible effects of tree-specific parameters such as tree age, relative diameter at breast height, and site-specific parameters such as index of aridity and sum of daily mean temperature during vegetation period, on the h-d relationship of forests in Lower Saxony, Germany. Results: Some of the derived effects, e.g. effects of age, index of aridity and sum of daily mean temperature have significantly non-linear pattern. The need for using SCAM results from the fact that some of the model effects show partially implausible patterns especially at the boundaries of data ranges. The derived model predicts monotonically increasing levels of tree height with increasing age and temperature sum and decreasing aridity and social rank of a tree within a stand. The definition of constraints leads only to marginal or minor decline in the model statistics like AIC. An observed structured spatial trend in tree height is modelled via 2-dimensional surface

  8. Enhancing the performance of model-based elastography by incorporating additional a priori information in the modulus image reconstruction process

    International Nuclear Information System (INIS)

    Doyley, Marvin M; Srinivasan, Seshadri; Dimidenko, Eugene; Soni, Nirmal; Ophir, Jonathan

    2006-01-01

    Model-based elastography is fraught with problems owing to the ill-posed nature of the inverse elasticity problem. To overcome this limitation, we have recently developed a novel inversion scheme that incorporates a priori information concerning the mechanical properties of the underlying tissue structures, and the variance incurred during displacement estimation in the modulus image reconstruction process. The information was procured by employing standard strain imaging methodology, and introduced in the reconstruction process through the generalized Tikhonov approach. In this paper, we report the results of experiments conducted on gelatin phantoms to evaluate the performance of modulus elastograms computed with the generalized Tikhonov (GTK) estimation criterion relative to those computed by employing the un-weighted least-squares estimation criterion, the weighted least-squares estimation criterion and the standard Tikhonov method (i.e., the generalized Tikhonov method with no modulus prior). The results indicate that modulus elastograms computed with the generalized Tikhonov approach had superior elastographic contrast discrimination and contrast recovery. In addition, image reconstruction was more resilient to structural decorrelation noise when additional constraints were imposed on the reconstruction process through the GTK method

  9. A novel technique to incorporate structural prior information into multi-modal tomographic reconstruction

    International Nuclear Information System (INIS)

    Kazantsev, Daniil; Dobson, Katherine J; Withers, Philip J; Lee, Peter D; Ourselin, Sébastien; Arridge, Simon R; Hutton, Brian F; Kaestner, Anders P; Lionheart, William R B

    2014-01-01

    There has been a rapid expansion of multi-modal imaging techniques in tomography. In biomedical imaging, patients are now regularly imaged using both single photon emission computed tomography (SPECT) and x-ray computed tomography (CT), or using both positron emission tomography and magnetic resonance imaging (MRI). In non-destructive testing of materials both neutron CT (NCT) and x-ray CT are widely applied to investigate the inner structure of material or track the dynamics of physical processes. The potential benefits from combining modalities has led to increased interest in iterative reconstruction algorithms that can utilize the data from more than one imaging mode simultaneously. We present a new regularization term in iterative reconstruction that enables information from one imaging modality to be used as a structural prior to improve resolution of the second modality. The regularization term is based on a modified anisotropic tensor diffusion filter, that has shape-adapted smoothing properties. By considering the underlying orientations of normal and tangential vector fields for two co-registered images, the diffusion flux is rotated and scaled adaptively to image features. The images can have different greyscale values and different spatial resolutions. The proposed approach is particularly good at isolating oriented features in images which are important for medical and materials science applications. By enhancing the edges it enables both easy identification and volume fraction measurements aiding segmentation algorithms used for quantification. The approach is tested on a standard denoising and deblurring image recovery problem, and then applied to 2D and 3D reconstruction problems; thereby highlighting the capabilities of the algorithm. Using synthetic data from SPECT co-registered with MRI, and real NCT data co-registered with x-ray CT, we show how the method can be used across a range of imaging modalities. (paper)

  10. Incorporating Prognostic Marine Nitrogen Fixers and Related Bio-Physical Feedbacks in an Earth System Model

    Science.gov (United States)

    Paulsen, H.; Ilyina, T.; Six, K. D.

    2016-02-01

    Marine nitrogen fixers play a fundamental role in the oceanic nitrogen and carbon cycles by providing a major source of `new' nitrogen to the euphotic zone that supports biological carbon export and sequestration. Furthermore, nitrogen fixers may regionally have a direct impact on ocean physics and hence the climate system as they form extensive surface mats which can increase light absorption and surface albedo and reduce the momentum input by wind. Resulting alterations in temperature and stratification may feed back on nitrogen fixers' growth itself.We incorporate nitrogen fixers as a prognostic 3D tracer in the ocean biogeochemical component (HAMOCC) of the Max Planck Institute Earth system model and assess for the first time the impact of related bio-physical feedbacks on biogeochemistry and the climate system.The model successfully reproduces recent estimates of global nitrogen fixation rates, as well as the observed distribution of nitrogen fixers, covering large parts of the tropical and subtropical oceans. First results indicate that including bio-physical feedbacks has considerable effects on the upper ocean physics in this region. Light absorption by nitrogen fixers leads locally to surface heating, subsurface cooling, and mixed layer depth shoaling in the subtropical gyres. As a result, equatorial upwelling is increased, leading to surface cooling at the equator. This signal is damped by the effect of the reduced wind stress due to the presence of cyanobacteria mats, which causes a reduction in the wind-driven circulation, and hence a reduction in equatorial upwelling. The increase in surface albedo due to nitrogen fixers has only inconsiderable effects. The response of nitrogen fixers' growth to the alterations in temperature and stratification varies regionally. Simulations with the fully coupled Earth system model are in progress to assess the implications of the biologically induced changes in upper ocean physics for the global climate system.

  11. Using a cognitive architecture in educational and recreational games : How to incorporate a model in your App

    NARCIS (Netherlands)

    Taatgen, Niels A.; de Weerd, Harmen; Reitter, David; Ritter, Frank

    2016-01-01

    We present a Swift re-implementation of the ACT-R cognitive architecture, which can be used to quickly build iOS Apps that incorporate an ACT-R model as a core feature. We discuss how this implementation can be used in an example model, and explore the breadth of possibilities by presenting six Apps

  12. Adolescent Decision-Making Processes regarding University Entry: A Model Incorporating Cultural Orientation, Motivation and Occupational Variables

    Science.gov (United States)

    Jung, Jae Yup

    2013-01-01

    This study tested a newly developed model of the cognitive decision-making processes of senior high school students related to university entry. The model incorporated variables derived from motivation theory (i.e. expectancy-value theory and the theory of reasoned action), literature on cultural orientation and occupational considerations. A…

  13. Incorporating genetic variation into a model of budburst phenology of coast Douglas-fir (Pseudotsuga menziesii var

    Science.gov (United States)

    Peter J. Gould; Constance A. Harrington; Bradley J. St Clair

    2011-01-01

    Models to predict budburst and other phenological events in plants are needed to forecast how climate change may impact ecosystems and for the development of mitigation strategies. Differences among genotypes are important to predicting phenological events in species that show strong clinal variation in adaptive traits. We present a model that incorporates the effects...

  14. A diagnostic model incorporating P50 sensory gating and neuropsychological tests for schizophrenia.

    Directory of Open Access Journals (Sweden)

    Jia-Chi Shan

    Full Text Available OBJECTIVES: Endophenotypes in schizophrenia research is a contemporary approach to studying this heterogeneous mental illness, and several candidate neurophysiological markers (e.g. P50 sensory gating and neuropsychological tests (e.g. Continuous Performance Test (CPT and Wisconsin Card Sorting Test (WCST have been proposed. However, the clinical utility of a single marker appears to be limited. In the present study, we aimed to construct a diagnostic model incorporating P50 sensory gating with other neuropsychological tests in order to improve the clinical utility. METHODS: We recruited clinically stable outpatients meeting DSM-IV criteria of schizophrenia and age- and gender-matched healthy controls. Participants underwent P50 sensory gating experimental sessions and batteries of neuropsychological tests, including CPT, WCST and Wechsler Adult Intelligence Scale Third Edition (WAIS-III. RESULTS: A total of 106 schizophrenia patients and 74 healthy controls were enrolled. Compared with healthy controls, the patient group had significantly a larger S2 amplitude, and thus poorer P50 gating ratio (gating ratio = S2/S1. In addition, schizophrenia patients had a poorer performance on neuropsychological tests. We then developed a diagnostic model by using multivariable logistic regression analysis to differentiate patients from healthy controls. The final model included the following covariates: abnormal P50 gating (defined as P50 gating ratio >0.4, three subscales derived from the WAIS-III (Arithmetic, Block Design, and Performance IQ, sensitivity index from CPT and smoking status. This model had an adequate accuracy (concordant percentage = 90.4%; c-statistic = 0.904; Hosmer-Lemeshow Goodness-of-Fit Test, p = 0.64>0.05. CONCLUSION: To the best of our knowledge, this is the largest study to date using P50 sensory gating in subjects of Chinese ethnicity and the first to use P50 sensory gating along with other neuropsychological tests

  15. Incorporating human-water dynamics in a hyper-resolution land surface model

    Science.gov (United States)

    Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

    2017-12-01

    The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in

  16. Generalized latent variable modeling multilevel, longitudinal, and structural equation models

    CERN Document Server

    Skrondal, Anders; Rabe-Hesketh, Sophia

    2004-01-01

    This book unifies and extends latent variable models, including multilevel or generalized linear mixed models, longitudinal or panel models, item response or factor models, latent class or finite mixture models, and structural equation models.

  17. Kinematic models of extensional structures

    International Nuclear Information System (INIS)

    Groshong, R.H. Jr.

    1990-01-01

    This paper discusses kinematic models that can relate faults of different types and different positions within a single dynamic system and thereby offer the potential to explain the disparate seismic activity characteristic of extensional terrains. The major styles are full grabens, half grabens, domino blocks, and glide-block systems. Half grabens, the most likely models for Basin and Range structure, are formed above a master fault of decreasing dip with depth and a hangingwall that deforms as it passes over the curved fault. Second-order normal faults, typically domino style, accommodate the required hangingwall deformation. According to the author low-angle detachment faults are consistent with the evidence of seismicity only on high-angle faults if the hangingwall of the detachment is broken by multiple half-graben systems

  18. Ce{sup 3+} incorporated structural and magnetic properties of M type barium hexaferrites

    Energy Technology Data Exchange (ETDEWEB)

    Pawar, R.A. [Department of Physics, Arts, Commerce and Science College, Satral, MS (India); Desai, S.S.; Tamboli, Q.Y. [Materials Research Laboratory, Shrikrishna Mahavidyalaya, Gunjoti 413613, MS (India); Shirsath, Sagar E. [Spin Device Technology Center, Faculty of Engineering, Shinshu University, Nagano 380-8553 (Japan); Patange, S.M., E-mail: smpatange@rediffmail.com [Materials Research Laboratory, Shrikrishna Mahavidyalaya, Gunjoti 413613, MS (India)

    2015-03-15

    M type barium hexaferrites BaCe{sub x}Fe{sub 12−x}O{sub 19} (0≤x≤0.3) (BCFO) were synthesized by the sol–gel auto combination method. Optimum annealing temperature of hexagonal phase was determined by using the TGA analysis. The annealing temperature form the TGA is 1000 °C samples annealed 1000 °C for 5 h to produce M type hexaferrites. X-ray diffraction data run to full Prof Program (Winploter 2010) pattern indicate that samples are single phase hexagonal structure with space group P6{sub 3}/mmc. Lattice parameter ‘a’ and ‘c’ increase with increase in Ce content x. Results of field emission scanning electron microscope show that the grains are regular hexagonal platelets with sizes from 0.3 to 1.4 μm. It is observed that from M–H curve value of the saturation magnetization and coercivity decreases with increasing x. Curie temperature from magnetization with temperature plot is found to decrease with Ce{sup 3+} substitution x due to decreases in magnetic interaction. - Highlights: • Ce{sup 3+} substituted Ba hexaferrites. • Increased coercivity with Ce{sup 3+} substitution. • Decrease in saturation magnetization and Curie temperature.

  19. Incorporation of GRACE Data into a Bayesian Model for Groundwater Drought Monitoring

    Science.gov (United States)

    Slinski, K.; Hogue, T. S.; McCray, J. E.; Porter, A.

    2015-12-01

    Groundwater drought, defined as the sustained occurrence of below average availability of groundwater, is marked by below average water levels in aquifers and reduced flows to groundwater-fed rivers and wetlands. The impact of groundwater drought on ecosystems, agriculture, municipal water supply, and the energy sector is an increasingly important global issue. However, current drought monitors heavily rely on precipitation and vegetative stress indices to characterize the timing, duration, and severity of drought events. The paucity of in situ observations of aquifer levels is a substantial obstacle to the development of systems to monitor groundwater drought in drought-prone areas, particularly in developing countries. Observations from the NASA/German Space Agency's Gravity Recovery and Climate Experiment (GRACE) have been used to estimate changes in groundwater storage over areas with sparse point measurements. This study incorporates GRACE total water storage observations into a Bayesian framework to assess the performance of a probabilistic model for monitoring groundwater drought based on remote sensing data. Overall, it is hoped that these methods will improve global drought preparedness and risk reduction by providing information on groundwater drought necessary to manage its impacts on ecosystems, as well as on the agricultural, municipal, and energy sectors.

  20. Improved accuracy of multiple ncRNA alignment by incorporating structural information into a MAFFT-based framework

    Directory of Open Access Journals (Sweden)

    Toh Hiroyuki

    2008-04-01

    Full Text Available Abstract Background Structural alignment of RNAs is becoming important, since the discovery of functional non-coding RNAs (ncRNAs. Recent studies, mainly based on various approximations of the Sankoff algorithm, have resulted in considerable improvement in the accuracy of pairwise structural alignment. In contrast, for the cases with more than two sequences, the practical merit of structural alignment remains unclear as compared to traditional sequence-based methods, although the importance of multiple structural alignment is widely recognized. Results We took a different approach from a straightforward extension of the Sankoff algorithm to the multiple alignments from the viewpoints of accuracy and time complexity. As a new option of the MAFFT alignment program, we developed a multiple RNA alignment framework, X-INS-i, which builds a multiple alignment with an iterative method incorporating structural information through two components: (1 pairwise structural alignments by an external pairwise alignment method such as SCARNA or LaRA and (2 a new objective function, Four-way Consistency, derived from the base-pairing probability of every sub-aligned group at every multiple alignment stage. Conclusion The BRAliBASE benchmark showed that X-INS-i outperforms other methods currently available in the sum-of-pairs score (SPS criterion. As a basis for predicting common secondary structure, the accuracy of the present method is comparable to or rather higher than those of the current leading methods such as RNA Sampler. The X-INS-i framework can be used for building a multiple RNA alignment from any combination of algorithms for pairwise RNA alignment and base-pairing probability. The source code is available at the webpage found in the Availability and requirements section.

  1. Incorporating adolescent females' perceptions of their partners' attitudes toward condoms into a model of female adolescent condom use.

    Science.gov (United States)

    Hogben, Matthew; Liddon, Nicole; Pierce, Antonya; Sawyer, Mary; Papp, John R; Black, Carolyn M; Koumans, Emilia H

    2006-11-01

    The highest rates of sexually transmitted infections in the U.S. occur among adolescent females. One prevention strategy promoted for sexually active adolescents is condom use: therefore, influences on correct and consistent condom use are worth examining. Because interventions and observational research into predicting and increasing condom use have yielded mixed results, we hypothesized that a theoretically driven model incorporating female adolescents' perceptions about partner sentiments along with their own perceptions, intentions, and behaviours would improve condom use predictions. We also measured condom use errors and consistency for a more precise estimate of effective use than is common in the literature. In three structural equation models tested on a sample of 519 female adolescents, we found that intentions were associated with both correct and consistent condom use; that females' expectancy beliefs about condom use were associated with intentions; and that females' expectancy beliefs about partners' sentiments reduced the impact of their expectancy beliefs about condom use. The implications of these relations upon condom use correctness and consistency are discussed with respect to informing interventions, among other future research.

  2. Creating a process for incorporating epidemiological modelling into outbreak management decisions.

    Science.gov (United States)

    Akselrod, Hana; Mercon, Monica; Kirkeby Risoe, Petter; Schlegelmilch, Jeffrey; McGovern, Joanne; Bogucki, Sandy

    2012-01-01

    Modern computational models of infectious diseases greatly enhance our ability to understand new infectious threats and assess the effects of different interventions. The recently-released CDC Framework for Preventing Infectious Diseases calls for increased use of predictive modelling of epidemic emergence for public health preparedness. Currently, the utility of these technologies in preparedness and response to outbreaks is limited by gaps between modelling output and information requirements for incident management. The authors propose an operational structure that will facilitate integration of modelling capabilities into action planning for outbreak management, using the Incident Command System (ICS) and Synchronization Matrix framework. It is designed to be adaptable and scalable for use by state and local planners under the National Response Framework (NRF) and Emergency Support Function #8 (ESF-8). Specific epidemiological modelling requirements are described, and integrated with the core processes for public health emergency decision support. These methods can be used in checklist format to align prospective or real-time modelling output with anticipated decision points, and guide strategic situational assessments at the community level. It is anticipated that formalising these processes will facilitate translation of the CDC's policy guidance from theory to practice during public health emergencies involving infectious outbreaks.

  3. Anion-induced structural transformation of a sulfate-incorporated 2D Cd(II)–organic framework

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Li-Wei [Institute of Chemistry, Academia Sinica, Taipei 115, Taiwan (China); Institute of Materials Science and Engineering, National Central University, Taoyuan 320, Taiwan (China); Luo, Tzuoo-Tsair [Institute of Chemistry, Academia Sinica, Taipei 115, Taiwan (China); Wang, Chih-Min [Department of Bioscience and Biotechnology, National Taiwan Ocean University, Keelung 202, Taiwan (China); Lee, Gene-Hsiang; Peng, Shie-Ming [Department of Chemistry, National Taiwan University, Taipei 107, Taiwan (China); Liu, Yen-Hsiang [Department of Chemistry, Fu Jen Catholic University, New Taipei City 242, Taiwan (China); Lee, Sheng-Long [Institute of Materials Science and Engineering, National Central University, Taoyuan 320, Taiwan (China); Lu, Kuang-Lieh [Institute of Chemistry, Academia Sinica, Taipei 115, Taiwan (China)

    2016-07-15

    A Cd(II)–organic framework {[Cd_2(tpim)_4(SO_4)(H_2O)_2]·(SO_4)·21H_2O}{sub n} (1) was synthesized by reacting CdSO{sub 4}·8/3H{sub 2}O and 2,4,5-tri(4-pyridyl)imidazole (tpim) under hydrothermal conditions. A structural analysis showed that compound 1 adopts a layered structure in which the [Cd(tpim){sub 2}]{sub n} chains are linked by sulfate anions. These 2D layers are further packed into a 3D supramolecular framework via π–π interactions. The structure contains two types of SO{sub 4}{sup 2−} anions, i.e., bridging SO{sub 4}{sup 2−} and free SO{sub 4}{sup 2−} anions, the latter of which are included in the large channels of the framework. Compound 1 exhibits interesting anion exchange behavior. In the presence of SCN{sup −} anions, both the bridging and free SO{sub 4}{sup 2−} anions in 1 were completely exchanged by SCN{sup −} ligands to form a 1D species [Cd(tpim){sub 2}(SCN){sub 2}] (1A), in which the SCN{sup –} moieties function as a monodentate ligand. On the other hand, when compound 1 was ion exchanged with N{sub 3}{sup −} anions in aqueous solution, the bridging SO{sub 4}{sup 2−} moieties remained intact, and only the free guest SO{sub 4}{sup 2−} were replaced by N{sub 3}{sup −} anions. The gas adsorption behavior of the activated compound 1 was also investigated. - Highlights: • An interesting anion-induced structural transformation of a sulfate-incorporated 2D Cd(II)–organic framework is reported. • The sulfate-incorporated 2D layer compound exhibits very different anion exchange behavior with respect to SCN{sup −} and N{sub 3}{sup −}. • Both the bridging and free SO{sub 4}{sup 2−} anions in the 2D structure were completely exchanged by SCN{sup −} ligands, resulting in the formation of a 1D species. However, in the case of N{sub 3}{sup −} anions, only the free guest SO{sub 4}{sup 2−} in the structure was replaced.

  4. Influences of oxygen incorporation on the structural and optoelectronic properties of Cu_2ZnSnS_4 thin films

    International Nuclear Information System (INIS)

    Yu, Ruei-Sung; Hung, Ta-Chun

    2016-01-01

    Highlights: • Oxygen incorporation in Cu_2ZnSnS_4 changes the energy band structure. • The material has a comparatively high-absorptive capacity for short wavelength. • Absorption coefficients of the film increase from 10"4 to 10"5 cm"−"1. • The oxygen-containing CZTS film has a mixture of crystallite and crystalline states. • The material could be a candidate as an absorber layer in multi-junction solar cells. - Abstract: This study used the sol–gel method to prepare Cu_2ZnSnS_4 thin films containing oxygen and explored the composition, structural, and optoelectronic properties of the films. The non-vacuum process enabled the oxygen content of the Cu_2ZnSnS_4 films to be 8.89 at% and 10.30 at% for two different annealing conditions. In the crystal structure, oxygen was substituted at the positions of sulfur and appeared in the interstitial sites of the lattice. The compositions of the thin films deviated from the stoichiometric ratio. Both films had kesterite structures with no secondary phase structure. The kesterite CZTS film possessed a composite microstructure of crystallite and crystalline states. The microstructure of the Cu_2ZnSnS_4 film with higher oxygen content was denser and the average grain size was smaller. Incorporating oxygen atoms into crystalline Cu_2ZnSnS_4 changed the energy band structure: the direct energy band gaps were, respectively, 2.75 eV and 2.84 eV; the thin films mainly adsorbed photons with wavelengths less than 500 nm; and the absorption coefficients increased from 10"4 cm"−"1 to 10"5 cm"−"1. The films had a comparatively high absorptive capacity for photons less than 350 nm. Increasing the oxygen content of the film lowered the resistivity. Thus, the oxygen-containing Cu_2ZnSnS_4 thin film could be a candidate for the p-type absorber layer material required in multi-junction solar cells.

  5. Possible mechanism of structural incorporation of Al into diatomite during the deposition process I. Via a condensation reaction of hydroxyl groups.

    Science.gov (United States)

    Liu, Dong; Yu, Wenbin; Deng, Liangliang; Yuan, Weiwei; Ma, Lingya; Yuan, Peng; Du, Peixin; He, Hongping

    2016-01-01

    The structural incorporation of aluminium (Al) into diatomite is investigated by preparing several Al-diatomite composites by loading an Al precursor, hydroxyl aluminum polymer (Al13), onto the surface of diatomite and heating at various temperatures. The results indicate that Al was incorporated and implanted into the structure of diatomite by the condensation reaction of the hydroxyl groups of Al13 and diatomite, and the Si-O-Al(OH) groups were formed during the condensation reaction. Al incorporation by the condensation reaction of hydroxyl groups of Al13 with single silanols of diatomite occurred more readily than that with geminal silanols. The Al incorporation increased solid acidity of diatomite after Al incorporation. The acidity improvement was various for different types of acid sites, depending on the preparation temperature of the Al-incorporated diatomite. Both Brønsted and Lewis acid sites increased greatly after heating at 250 and 350 °C, but only L acid sites significantly improved after heating at 500 °C. These results demonstrate that the structural incorporation of Al(3+) ions into diatomite can occur by the condensation reaction of the hydroxyl groups of the Al precursors and diatomite. Moreover, the rich solid acid sites of Al-incorporated diatomite show its promising application as a solid acid catalyst. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. Structural and biochemical alterations of human diabetic dermis studied by 3H-lysine incorporation and microscopy

    International Nuclear Information System (INIS)

    Moczar, M.; Allard, R.; Ouzilou, J.; Robert, L.; Pieraggi, M.-T.; Bouissou, H.; Julian, M.

    1976-01-01

    The alteration of the structural organization of dermal connective tissue was studied by light and electron microscopy and by biochemical techniques in normal human and in diabetic patients using skin biopsies. Part of the tissue was used for light and electron microscopy, the rest was incubated in the presence of 3 H-lysine for four hours. The 3 H-lysine labelled biopsies were submitted to a sequential extraction procedure in order to obtain representative macromolecular fractions containing the matrix macromolecules. The extracts were analyzed for their chemical composition and radioactivity. Electron microscopy revealed microstructural modifications of the fibroblasts, of the collagen and elastic fibers in the diabetic dermis. The incorporation pattern of 3 H-lysine into the macromolecular fractions was different in the normal and diabetic skin biopsies. The percentage of total radioactivity incorporated increased significantly in the 1M CaCl 2 extractable fraction and in the 6M urea extractable fraction and decreased significantly in the collagenase and elastase extracts in diabetic skin biopsy. These results demonstrate the existence of morphological and biochemical alterations in diabetic connective tissue (dermis) reflecting alterations in the relative rates of synthesis and/or degradation of the intercellular matrix macromolecules as well as of their microarchitectural arrangement

  7. Influence of oxygen incorporation on the defect structure of GaN microrods and nanowires. An XPS and CL study

    International Nuclear Information System (INIS)

    Guzmán, G; Herrera, M; Silva, R; Vásquez, G C; Maestre, D

    2016-01-01

    We report a cathodoluminescence (CL) and x-ray photoelectron spectroscopy (XPS) study of the influence of oxygen incorporation on the defect structure of GaN microrods and nanowires. The micro- and nanostructures were synthesized by a thermal evaporation method, which enables us to incorporate oxygen at different concentrations by varying the growth temperature. HR-TEM measurements revealed that oxygen generates stacking fault defects and edge dislocations along the GaN nanowires. Amorphous GaO x N y compounds were segregated on the surface of the nanowires. XPS, XRD and CL measurements suggests that the microrods and nanowires were composed of amorphous oxynitride compounds at their surface and GaN at their inner region. CL measurements revealed that the nanostructures generated an emission of 2.68 eV that increased in intensity proportionally to their oxygen content. We have attributed this emission to electronic transitions between donor substitutional-oxygen (O N ) and acceptor interstitial-oxygen (O i ) state levels. (paper)

  8. Global dynamics of a PDE model for aedes aegypti mosquitoe incorporating female sexual preference

    KAUST Repository

    Parshad, Rana; Agusto, Folashade B.

    2011-01-01

    In this paper we study the long time dynamics of a reaction diffusion system, describing the spread of Aedes aegypti mosquitoes, which are the primary cause of dengue infection. The system incorporates a control attempt via the sterile insect

  9. New systematic methodology for incorporating dynamic heat transfer modelling in multi-phase biochemical reactors.

    Science.gov (United States)

    Fernández-Arévalo, T; Lizarralde, I; Grau, P; Ayesa, E

    2014-09-01

    This paper presents a new modelling methodology for dynamically predicting the heat produced or consumed in the transformations of any biological reactor using Hess's law. Starting from a complete description of model components stoichiometry and formation enthalpies, the proposed modelling methodology has integrated successfully the simultaneous calculation of both the conventional mass balances and the enthalpy change of reaction in an expandable multi-phase matrix structure, which facilitates a detailed prediction of the main heat fluxes in the biochemical reactors. The methodology has been implemented in a plant-wide modelling methodology in order to facilitate the dynamic description of mass and heat throughout the plant. After validation with literature data, as illustrative examples of the capability of the methodology, two case studies have been described. In the first one, a predenitrification-nitrification dynamic process has been analysed, with the aim of demonstrating the easy integration of the methodology in any system. In the second case study, the simulation of a thermal model for an ATAD has shown the potential of the proposed methodology for analysing the effect of ventilation and influent characterization. Copyright © 2014 Elsevier Ltd. All rights reserved.

  10. Soil Retaining Structures : Development of models for structural analysis

    NARCIS (Netherlands)

    Bakker, K.J.

    2000-01-01

    The topic of this thesis is the development of models for the structural analysis of soil retaining structures. The soil retaining structures being looked at are; block revetments, flexible retaining walls and bored tunnels in soft soil. Within this context typical structural behavior of these

  11. Structure, electronic properties, and oxygen incorporation/diffusion characteristics of the Σ 5 TiN(310)[001] tilt grain boundary

    Science.gov (United States)

    McKenna, Keith P.

    2018-02-01

    First principles calculations are employed to investigate the structure, electronic properties, and oxygen incorporation/diffusion characteristics of the Σ 5 TiN(310) tilt grain boundary with relevance to applications of polycrystalline TiN in microelectronics and protective coatings. We show that the grain boundary does not significantly modify electronic states near the Fermi energy but does induce an upward shift of up to 0.6 eV in a number of deeper occupied bands. We also show that oxygen is preferentially incorporated into the TiN grain boundary (GB) but must overcome relatively high activation energies for further diffusion. These predictions are consistent with the "stuffed barrier model" proposed to explain the good barrier characteristics of TiN. We also show that while the oxidizing power of TiN GBs is not sufficient to reduce HfO2 (a prototypical gate dielectric material), they can act as a scavenger for interstitial oxygen. Altogether, these results provide the much needed atomistic insights into the properties of a model GB in TiN and suggest a number of directions for future investigation.

  12. The Isinglass Auroral Sounding Rocket Campaign: data synthesis incorporating remote sensing, in situ observations, and modelling

    Science.gov (United States)

    Lynch, K. A.; Clayton, R.; Roberts, T. M.; Hampton, D. L.; Conde, M.; Zettergren, M. D.; Burleigh, M.; Samara, M.; Michell, R.; Grubbs, G. A., II; Lessard, M.; Hysell, D. L.; Varney, R. H.; Reimer, A.

    2017-12-01

    The NASA auroral sounding rocket mission Isinglass was launched from Poker Flat Alaska in winter 2017. This mission consists of two separate multi-payload sounding rockets, over an array of groundbased observations, including radars and filtered cameras. The science goal is to collect two case studies, in two different auroral events, of the gradient scale sizes of auroral disturbances in the ionosphere. Data from the in situ payloads and the groundbased observations will be synthesized and fed into an ionospheric model, and the results will be studied to learn about which scale sizes of ionospheric structuring have significance for magnetosphere-ionosphere auroral coupling. The in situ instrumentation includes thermal ion sensors (at 5 points on the second flight), thermal electron sensors (at 2 points), DC magnetic fields (2 point), DC electric fields (one point, plus the 4 low-resource thermal ion RPA observations of drift on the second flight), and an auroral precipitation sensor (one point). The groundbased array includes filtered auroral imagers, the PFISR and SuperDarn radars, a coherent scatter radar, and a Fabry-Perot interferometer array. The ionospheric model to be used is a 3d electrostatic model including the effects of ionospheric chemistry. One observational and modelling goal for the mission is to move both observations and models of auroral arc systems into the third (along-arc) dimension. Modern assimilative tools combined with multipoint but low-resource observations allow a new view of the auroral ionosphere, that should allow us to learn more about the auroral zone as a coupled system. Conjugate case studies such as the Isinglass rocket flights allow for a test of the models' intepretation by comparing to in situ data. We aim to develop and improve ionospheric models to the point where they can be used to interpret remote sensing data with confidence without the checkpoint of in situ comparison.

  13. Incorporating classic adsorption isotherms into modern surface complexation models: implications for sorption of radionuclides

    International Nuclear Information System (INIS)

    Kulik, D.A.

    2005-01-01

    Full text of publication follows: Computer-aided surface complexation models (SCM) tend to replace the classic adsorption isotherm (AI) analysis in describing mineral-water interface reactions such as radionuclide sorption onto (hydr) oxides and clays. Any site-binding SCM based on the mole balance of surface sites, in fact, reproduces the (competitive) Langmuir isotherm, optionally amended with electrostatic Coulomb's non-ideal term. In most SCM implementations, it is difficult to incorporate real-surface phenomena (site heterogeneity, lateral interactions, surface condensation) described in classic AI approaches other than Langmuir's. Thermodynamic relations between SCMs and AIs that remained obscure in the past have been recently clarified using new definitions of standard and reference states of surface species [1,2]. On this basis, a method for separating the Langmuir AI into ideal (linear) and non-ideal parts [2] was applied to multi-dentate Langmuir, Frumkin, and BET isotherms. The aim of this work was to obtain the surface activity coefficient terms that make the SCM site mole balance constraints obsolete and, in this way, extend thermodynamic SCMs to cover sorption phenomena described by the respective AIs. The multi-dentate Langmuir term accounts for the site saturation with n-dentate surface species, as illustrated on modeling bi-dentate U VI complexes on goethite or SiO 2 surfaces. The Frumkin term corrects for the lateral interactions of the mono-dentate surface species; in particular, it has the same form as the Coulombic term of the constant-capacitance EDL combined with the Langmuir term. The BET term (three parameters) accounts for more than a monolayer adsorption up to the surface condensation; it can potentially describe the surface precipitation of nickel and other cations on hydroxides and clay minerals. All three non-ideal terms (in GEM SCMs implementation [1,2]) by now are used for non-competing surface species only. Upon 'surface dilution

  14. Structural characterization and viscoelastic constitutive modeling of skin.

    Science.gov (United States)

    Sherman, Vincent R; Tang, Yizhe; Zhao, Shiteng; Yang, Wen; Meyers, Marc A

    2017-04-15

    A fascinating material, skin has a tensile response which exhibits an extended toe region of minimal stress up to nominal strains that, in some species, exceed 1, followed by significant stiffening until a roughly linear region. The large toe region has been attributed to its unique structure, consisting of a network of curved collagen fibers. Investigation of the structure of rabbit skin reveals that it consists of layers of wavy fibers, each one with a characteristic orientation. Additionally, the existence of two preferred layer orientations is suggested based on the results of small angle X-ray scattering. These observations are used to construct a viscoelastic model consisting of collagen in two orientations, which leads to an in-plane anisotropic response. The structure-based model presented incorporates the elastic straightening and stretching of fibrils, their rotation towards the tensile axis, and the viscous effects which occur in the matrix of the skin due to interfibrillar and interlamellar sliding. The model is shown to effectively capture key features which dictate the mechanical response of skin. Examination by transmission and scanning electron microscopy of rabbit dermis enabled the identification of the key elements in its structure. The organization of collagen fibrils into flat fibers was identified and incorporated into a constitutive model that reproduces the mechanical response of skin. This enhanced quantitative predictive capability can be used in the design of synthetic skin and skin-like structures. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  15. Structural and degradation characteristics of an innovative porous PLGA/TCP scaffold incorporated with bioactive molecular icaritin

    Energy Technology Data Exchange (ETDEWEB)

    Xie Xinhui; Wang Xinluan; Zhang Ge; He Yixin; Liu Zhong; Peng Jiang; Qin Ling [Department of Orthopaedics and Traumatology, Chinese University of Hong Kong (Hong Kong); Wang Xiaohong; He Kai [Key Laboratory for Advanced Materials Processing Technology, Ministry of Education and Center of Organ Manufacturing, Department of Mechanical Engineering, Tsinghua University, Beijing (China); Leng Yang, E-mail: lingqin@cuhk.edu.h [Department of Mechanical Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)

    2010-10-01

    Phytomolecules may chemically bind to scaffold materials for medical applications. The present study used an osteoconductive porous poly(l-lactide-co-glycolide)/tricalcium phosphate (PLGA/TCP) to incorporate an exogenous phytoestrogenic molecule icaritin to form a PLGA/TCP/icaritin composite scaffold material with potential slow release of icaritin during scaffold degradation. Accordingly, the present study was designed to investigate its in vitro degradation characteristics and the release pattern of icaritin at three different doses (74 mg, 7.4 mg and 0.74 mg per 100 g PLGA/TCP, i.e. in the PLGA/TCP/icaritin-H, -M and -L groups, respectively). A PLGA/TCP/icaritin porous composite scaffold was fabricated using a computer-controlled printing machine. The PLGA/TCP/icaritin scaffolds were incubated in saline at 37 {sup 0}C for 12 weeks and the pure PLGA/TCP scaffold served as a control. During the 12 weeks in vitro degradation, the scaffolds in all four groups showed changes, including a decrease in weight, volume and pore size of the composite scaffold, while there was a decrease in acidity and an increase in Ca and lactic acid concentrations in the degradation medium, especially after 7 weeks. The rate of degradation was explained by the relationship with the content of icaritin incorporated into the scaffolds. The higher the icaritin content in the scaffolds, the slower the degradation could be observed during 12 weeks. After 12 weeks, the SEM showed that the surface of the PLGA/TCP and PLGA/TCP/icaritin-L groups was relatively smooth with a gradual decrease in number and size of the micropores, while the porous morphology on the surface of the PLGA/TCP/icaritin-M and PLGA/TCP/icaritin-H groups was partly maintained, accompanied by a decrease in phosphate (P) and calcium (Ca) contents at the surface. Though the mechanical property of the PLGA/TCP/icaritin scaffold decreased after degradation, its porous structure was maintained, which was essential for cell

  16. Incorporating a prediction of postgrazing herbage mass into a whole-farm model for pasture-based dairy systems.

    Science.gov (United States)

    Gregorini, P; Galli, J; Romera, A J; Levy, G; Macdonald, K A; Fernandez, H H; Beukes, P C

    2014-07-01

    The DairyNZ whole-farm model (WFM; DairyNZ, Hamilton, New Zealand) consists of a framework that links component models for animal, pastures, crops, and soils. The model was developed to assist with analysis and design of pasture-based farm systems. New (this work) and revised (e.g., cow, pasture, crops) component models can be added to the WFM, keeping the model flexible and up to date. Nevertheless, the WFM does not account for plant-animal relationships determining herbage-depletion dynamics. The user has to preset the maximum allowable level of herbage depletion [i.e., postgrazing herbage mass (residuals)] throughout the year. Because residuals have a direct effect on herbage regrowth, the WFM in its current form does not dynamically simulate the effect of grazing pressure on herbage depletion and consequent effect on herbage regrowth. The management of grazing pressure is a key component of pasture-based dairy systems. Thus, the main objective of the present work was to develop a new version of the WFM able to predict residuals, and thereby simulate related effects of grazing pressure dynamically at the farm scale. This objective was accomplished by incorporating a new component model into the WFM. This model represents plant-animal relationships, for example sward structure and herbage intake rate, and resulting level of herbage depletion. The sensitivity of the new version of the WFM was evaluated and then the new WFM was tested against an experimental data set previously used to evaluate the WFM and to illustrate the adequacy and improvement of the model development. Key outputs variables of the new version pertinent to this work (milk production, herbage dry matter intake, intake rate, harvesting efficiency, and residuals) responded acceptably to a range of input variables. The relative prediction errors for monthly and mean annual residual predictions were 20 and 5%, respectively. Monthly predictions of residuals had a line bias (1.5%), with a proportion

  17. Atomistic modelling study of lanthanide incorporation in the crystal lattice of an apatite

    International Nuclear Information System (INIS)

    Louis-Achille, V.

    1999-01-01

    Studies of natural and synthetic apatites allow to propose such crystals as matrix for nuclear waste storage. The neodymium substituted britholite, Ca 9 Nd(PO 4 ) 5 (SiO 4 )F 2 . is a model for the trivalent actinide storage Neodymium can be substituted in two types of sites. The aim of this thesis is to compare the chemical nature of this two sites in fluoro-apatite Ca 9 (PO 4 ) 6 F 2 and then in britholite, using ab initio atomistic modeling. Two approaches are used: one considers the infinite crystals and the second considers clusters. The calculations of the electronic structure for both were performed using Kohn and Sham density functional theory in the local approximation. For solids, pseudopotentials were used, and wave functions are expanded in plane waves. For clusters, a frozen core approximation was used, and the wave functions are expanded in a linear combination of Slater type atomic orbitals. The pseudopotential is semi-relativistic for neodymium, and the Hamiltonian is scalar relativistic for the clusters. The validation of the solid approach is performed using two test cases: YPO 4 and ScPO 4 . Two numerical tools were developed to compute electronic deformation density map, and calculate partial density of stases. A full optimisation of the lattice parameters with a relaxation of the atomic coordinates leads to correct structural and thermodynamic properties for the fluoro-apatite, compared to experience. The electronic deformation density maps do not show any significant differences. between the two calcium sites. but Mulliken analysis on the solid and on the clusters point out the more ionic behavior of the calcium in site 2. A neodymium substituted britholite is then studied. Neodymium location only induces local modifications in; the crystalline structure and few changes in the formation enthalpy. The electronic study points out an increase of the covalent character the bonding involving neodymium compared with the one related to calcium

  18. Incorporating rainfall uncertainty in a SWAT model: the river Zenne basin (Belgium) case study

    Science.gov (United States)

    Tolessa Leta, Olkeba; Nossent, Jiri; van Griensven, Ann; Bauwens, Willy

    2013-04-01

    The European Union Water Framework Directive (EU-WFD) called its member countries to achieve a good ecological status for all inland and coastal water bodies by 2015. According to recent studies, the river Zenne (Belgium) is far from this objective. Therefore, an interuniversity and multidisciplinary project "Towards a Good Ecological Status in the river Zenne (GESZ)" was launched to evaluate the effects of wastewater management plans on the river. In this project, different models have been developed and integrated using the Open Modelling Interface (OpenMI). The hydrologic, semi-distributed Soil and Water Assessment Tool (SWAT) is hereby used as one of the model components in the integrated modelling chain in order to model the upland catchment processes. The assessment of the uncertainty of SWAT is an essential aspect of the decision making process, in order to design robust management strategies that take the predicted uncertainties into account. Model uncertainty stems from the uncertainties on the model parameters, the input data (e.g, rainfall), the calibration data (e.g., stream flows) and on the model structure itself. The objective of this paper is to assess the first three sources of uncertainty in a SWAT model of the river Zenne basin. For the assessment of rainfall measurement uncertainty, first, we identified independent rainfall periods, based on the daily precipitation and stream flow observations and using the Water Engineering Time Series PROcessing tool (WETSPRO). Secondly, we assigned a rainfall multiplier parameter for each of the independent rainfall periods, which serves as a multiplicative input error corruption. Finally, we treated these multipliers as latent parameters in the model optimization and uncertainty analysis (UA). For parameter uncertainty assessment, due to the high number of parameters of the SWAT model, first, we screened out its most sensitive parameters using the Latin Hypercube One-factor-At-a-Time (LH-OAT) technique

  19. Incorporating harvest rates into the sex-age-kill model for white-tailed deer

    Science.gov (United States)

    Norton, Andrew S.; Diefenbach, Duane R.; Rosenberry, Christopher S.; Wallingford, Bret D.

    2013-01-01

    Although monitoring population trends is an essential component of game species management, wildlife managers rarely have complete counts of abundance. Often, they rely on population models to monitor population trends. As imperfect representations of real-world populations, models must be rigorously evaluated to be applied appropriately. Previous research has evaluated population models for white-tailed deer (Odocoileus virginianus); however, the precision and reliability of these models when tested against empirical measures of variability and bias largely is untested. We were able to statistically evaluate the Pennsylvania sex-age-kill (PASAK) population model using realistic error measured using data from 1,131 radiocollared white-tailed deer in Pennsylvania from 2002 to 2008. We used these data and harvest data (number killed, age-sex structure, etc.) to estimate precision of abundance estimates, identify the most efficient harvest data collection with respect to precision of parameter estimates, and evaluate PASAK model robustness to violation of assumptions. Median coefficient of variation (CV) estimates by Wildlife Management Unit, 13.2% in the most recent year, were slightly above benchmarks recommended for managing game species populations. Doubling reporting rates by hunters or doubling the number of deer checked by personnel in the field reduced median CVs to recommended levels. The PASAK model was robust to errors in estimates for adult male harvest rates but was sensitive to errors in subadult male harvest rates, especially in populations with lower harvest rates. In particular, an error in subadult (1.5-yr-old) male harvest rates resulted in the opposite error in subadult male, adult female, and juvenile population estimates. Also, evidence of a greater harvest probability for subadult female deer when compared with adult (≥2.5-yr-old) female deer resulted in a 9.5% underestimate of the population using the PASAK model. Because obtaining

  20. Incorporation of lysosomal sequestration in the mechanistic model for prediction of tissue distribution of basic drugs.

    Science.gov (United States)

    Assmus, Frauke; Houston, J Brian; Galetin, Aleksandra

    2017-11-15

    The prediction of tissue-to-plasma water partition coefficients (Kpu) from in vitro and in silico data using the tissue-composition based model (Rodgers & Rowland, J Pharm Sci. 2005, 94(6):1237-48.) is well established. However, distribution of basic drugs, in particular into lysosome-rich lung tissue, tends to be under-predicted by this approach. The aim of this study was to develop an extended mechanistic model for the prediction of Kpu which accounts for lysosomal sequestration and the contribution of different cell types in the tissue of interest. The extended model is based on compound-specific physicochemical properties and tissue composition data to describe drug ionization, distribution into tissue water and drug binding to neutral lipids, neutral phospholipids and acidic phospholipids in tissues, including lysosomes. Physiological data on the types of cells contributing to lung, kidney and liver, their lysosomal content and lysosomal pH were collated from the literature. The predictive power of the extended mechanistic model was evaluated using a dataset of 28 basic drugs (pK a ≥7.8, 17 β-blockers, 11 structurally diverse drugs) for which experimentally determined Kpu data in rat tissue have been reported. Accounting for the lysosomal sequestration in the extended mechanistic model improved the accuracy of Kpu predictions in lung compared to the original Rodgers model (56% drugs within 2-fold or 88% within 3-fold of observed values). Reduction in the extent of Kpu under-prediction was also evident in liver and kidney. However, consideration of lysosomal sequestration increased the occurrence of over-predictions, yielding overall comparable model performances for kidney and liver, with 68% and 54% of Kpu values within 2-fold error, respectively. High lysosomal concentration ratios relative to cytosol (>1000-fold) were predicted for the drugs investigated; the extent differed depending on the lysosomal pH and concentration of acidic phospholipids among

  1. Models and structures: mathematical physics

    International Nuclear Information System (INIS)

    2003-01-01

    This document gathers research activities along 5 main directions. 1) Quantum chaos and dynamical systems. Recent results concern the extension of the exact WKB method that has led to a host of new results on the spectrum and wave functions. Progress have also been made in the description of the wave functions of chaotic quantum systems. Renormalization has been applied to the analysis of dynamical systems. 2) Combinatorial statistical physics. We see the emergence of new techniques applied to various such combinatorial problems, from random walks to random lattices. 3) Integrability: from structures to applications. Techniques of conformal field theory and integrable model systems have been developed. Progress is still made in particular for open systems with boundary conditions, in connection to strings and branes physics. Noticeable links between integrability and exact WKB quantization to 2-dimensional disordered systems have been highlighted. New correlations of eigenvalues and better connections to integrability have been formulated for random matrices. 4) Gravities and string theories. We have developed aspects of 2-dimensional string theory with a particular emphasis on its connection to matrix models as well as non-perturbative properties of M-theory. We have also followed an alternative path known as loop quantum gravity. 5) Quantum field theory. The results obtained lately concern its foundations, in flat or curved spaces, but also applications to second-order phase transitions in statistical systems

  2. Introducing a model incorporating early integration of specialist palliative care: A qualitative research study of staff's perspectives.

    Science.gov (United States)

    Michael, Natasha; O'Callaghan, Clare; Brooker, Joanne E; Walker, Helen; Hiscock, Richard; Phillips, David

    2016-03-01

    Palliative care has evolved to encompass early integration, with evaluation of patient and organisational outcomes. However, little is known of staff's experiences and adaptations when change occurs within palliative care services. To explore staff experiences of a transition from a service predominantly focused on end-of-life care to a specialist service encompassing early integration. Qualitative research incorporating interviews, focus groups and anonymous semi-structured questionnaires. Data were analysed using a comparative approach. Service activity data were also aggregated. A total of 32 medical, nursing, allied health and administrative staff serving a 22-bed palliative care unit and community palliative service, within a large health service. Patients cared for within the new model were significantly more likely to be discharged home (7.9% increase, p = 0.003) and less likely to die in the inpatient unit (10.4% decrease, p management was considered valuable, nurses particularly found additional skill expectations challenging, and perceived patients' acute care needs as detracting from emotional and end-of-life care demands. Staff views varied on whether they regarded the new model's faster-paced work-life as consistent with fundamental palliative care principles. Less certainty about care goals, needing to prioritise care tasks, reduced shared support rituals and other losses could intensify stress, leading staff to develop personalised coping strategies. Services introducing and researching innovative models of palliative care need to ensure adequate preparation, maintenance of holistic care principles in faster work-paced contexts and assist staff dealing with demands associated with caring for patients at different stages of illness trajectories. © The Author(s) 2015.

  3. A new heat flux model for the Antarctic Peninsula incorporating spatially variable upper crustal radiogenic heat production

    Science.gov (United States)

    Burton-Johnson, A.; Halpin, J.; Whittaker, J. M.; Graham, F. S.; Watson, S. J.

    2017-12-01

    We present recently published findings (Burton-Johnson et al., 2017) on the variability of Antarctic sub-glacial heat flux and the impact from upper crustal geology. Our new method reveals that the upper crust contributes up to 70% of the Antarctic Peninsula's subglacial heat flux, and that heat flux values are more variable at smaller spatial resolutions than geophysical methods can resolve. Results indicate a higher heat flux on the east and south of the Peninsula (mean 81 mWm-2) where silicic rocks predominate, than on the west and north (mean 67 mWm-2) where volcanic arc and quartzose sediments are dominant. Whilst the data supports the contribution of HPE-enriched granitic rocks to high heat flux values, sedimentary rocks can be of comparative importance dependent on their provenance and petrography. Models of subglacial heat flux must utilize a heterogeneous upper crust with variable radioactive heat production if they are to accurately predict basal conditions of the ice sheet. Our new methodology and dataset facilitate improved numerical model simulations of ice sheet dynamics. The most significant challenge faced remains accurate determination of crustal structure, particularly the depths of the HPE-enriched sedimentary basins and the sub-glacial geology away from exposed outcrops. Continuing research (particularly detailed geophysical interpretation) will better constrain these unknowns and the effect of upper crustal geology on the Antarctic ice sheet. Burton-Johnson, A., Halpin, J.A., Whittaker, J.M., Graham, F.S., and Watson, S.J., 2017, A new heat flux model for the Antarctic Peninsula incorporating spatially variable upper crustal radiogenic heat production: Geophysical Research Letters, v. 44, doi: 10.1002/2017GL073596.

  4. Incorporating prior information into differential network analysis using non-paranormal graphical models.

    Science.gov (United States)

    Zhang, Xiao-Fei; Ou-Yang, Le; Yan, Hong

    2017-08-15

    Understanding how gene regulatory networks change under different cellular states is important for revealing insights into network dynamics. Gaussian graphical models, which assume that the data follow a joint normal distribution, have been used recently to infer differential networks. However, the distributions of the omics data are non-normal in general. Furthermore, although much biological knowledge (or prior information) has been accumulated, most existing methods ignore the valuable prior information. Therefore, new statistical methods are needed to relax the normality assumption and make full use of prior information. We propose a new differential network analysis method to address the above challenges. Instead of using Gaussian graphical models, we employ a non-paranormal graphical model that can relax the normality assumption. We develop a principled model to take into account the following prior information: (i) a differential edge less likely exists between two genes that do not participate together in the same pathway; (ii) changes in the networks are driven by certain regulator genes that are perturbed across different cellular states and (iii) the differential networks estimated from multi-view gene expression data likely share common structures. Simulation studies demonstrate that our method outperforms other graphical model-based algorithms. We apply our method to identify the differential networks between platinum-sensitive and platinum-resistant ovarian tumors, and the differential networks between the proneural and mesenchymal subtypes of glioblastoma. Hub nodes in the estimated differential networks rediscover known cancer-related regulator genes and contain interesting predictions. The source code is at https://github.com/Zhangxf-ccnu/pDNA. szuouyl@gmail.com. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

  5. Decision model incorporating utility theory and measurement of social values applied to nuclear waste management

    International Nuclear Information System (INIS)

    Litchfield, J.W.; Hansen, J.V.; Beck, L.C.

    1975-07-01

    A generalized computer-based decision analysis model was developed and tested. Several alternative concepts for ultimate disposal have already been developed; however, significant research is still required before any of these can be implemented. To make a choice based on technical estimates of the costs, short-term safety, long-term safety, and accident detection and recovery requires estimating the relative importance of each of these factors or attributes. These relative importance estimates primarily involve social values and therefore vary from one individual to the next. The approach used was to sample various public groups to determine the relative importance of each of the factors to the public. These estimates of importance weights were combined in a decision analysis model with estimates, furnished by technical experts, of the degree to which each alternative concept achieves each of the criteria. This model then integrates the two separate and unique sources of information and provides the decision maker with information as to the preferences and concerns of the public as well as the technical areas within each concept which need further research. The model can rank the alternatives using sampled public opinion and techno-economic data. This model provides a decision maker with a structured approach to subdividing complex alternatives into a set of more easily considered attributes, measuring the technical performance of each alternative relative to each attribute, estimating relevant social values, and assimilating quantitative information in a rational manner to estimate total value for each alternative. Because of the explicit nature of this decision analysis, the decision maker can select a specific alternative supported by clear documentation and justification for his assumptions and estimates. (U.S.)

  6. Hybrid modelling of soil-structure interaction for embedded structures

    International Nuclear Information System (INIS)

    Gupta, S.; Penzien, J.

    1981-01-01

    The basic methods currently being used for the analysis of soil-structure interaction fail to properly model three-dimensional embedded structures with flexible foundations. A hybrid model for the analysis of soil-structure interaction is developed in this investigation which takes advantage of the desirable features of both the finite element and substructure methods and which minimizes their undesirable features. The hybrid model is obtained by partitioning the total soil-structure system into a nearfield and a far-field with a smooth hemispherical interface. The near-field consists of the structure and a finite region of soil immediately surrounding its base. The entire near-field may be modelled in three-dimensional form using the finite element method; thus, taking advantage of its ability to model irregular geometries, and the non-linear soil behavior in the immediate vicinity of the structure. (orig./WL)

  7. Incorporating institutions and collective action into a sociohydrological model of flood resilience

    Science.gov (United States)

    Yu, David J.; Sangwan, Nikhil; Sung, Kyungmin; Chen, Xi; Merwade, Venkatesh

    2017-02-01

    Stylized sociohydrological models have mainly used social memory aspects such as community awareness or sensitivity to connect hydrologic change and social response. However, social memory alone does not satisfactorily capture the details of how human behavior is translated into collective action for water resources governance. Nor is it the only social mechanism by which the two-way feedbacks of sociohydrology can be operationalized. This study contributes toward bridging of this gap by developing a sociohydrological model of a flood resilience that includes two additional components: (1) institutions for collective action, and (2) connections to an external economic system. Motivated by the case of community-managed flood protection systems (polders) in coastal Bangladesh, we use the model to understand critical general features that affect long-term resilience of human-flood systems. Our findings suggest that occasional adversity can enhance long-term resilience. Allowing some hydrological variability to enter into the polder can increase its adaptive capacity for resilience through the preservation of social norm for collective action. Further, there are potential trade-offs associated with optimization of flood resistance through structural measures. By reducing sensitivity to floods, the system may become more fragile under the double impact of floods and economic change.

  8. Incorporation of β-glucans in meat emulsions through an optimal mixture modeling systems.

    Science.gov (United States)

    Vasquez Mejia, Sandra M; de Francisco, Alicia; Manique Barreto, Pedro L; Damian, César; Zibetti, Andre Wüst; Mahecha, Hector Suárez; Bohrer, Benjamin M

    2018-05-22

    The effects of β-glucans (βG) in beef emulsions with carrageenan and starch were evaluated using an optimal mixture modeling system. The best mathematical models to describe the cooking loss, color, and textural profile analysis (TPA) were selected and optimized. The cubic models were better to describe the cooking loss, color, and TPA parameters, with the exception of springiness. Emulsions with greater levels of βG and starch had less cooking loss (54 and <62), and greater hardness, cohesiveness and springiness values. Subsequently, during the optimization phase, the use of carrageenan was eliminated. The optimized emulsion contained 3.13 ± 0.11% βG, which could cover the intake daily of βG recommendations. However, the hardness of the optimized emulsion was greater (60,224 ± 1025 N) than expected. The optimized emulsion had a homogeneous structure and normal thermal behavior by DSC and allowed for the manufacture of products with high amounts of βG and desired functional attributes. Copyright © 2018 Elsevier Ltd. All rights reserved.

  9. A Better Understanding of Protein Structure and Function by the Synthesis and Incorporation of Selenium- and Tellurium Containing Tryptophan Analogs

    Energy Technology Data Exchange (ETDEWEB)

    Helmey, Sherif Samir [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Bioscience Division; Belmont Univ., Nashville, TN (United States). Dept. of Chemistry and Physics; Rice, Ambrose Eugene [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Bioscience Division; Belmont Univ., Nashville, TN (United States). Dept. of Chemistry and Physics; Hatch, Duane Michael [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Bioscience Division; Belmont Univ., Nashville, TN (United States). Dept. of Chemistry and Physics; Silks, Louis A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Bioscience Division; Marti-Arbona, Ricardo [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Bioscience Division

    2016-08-17

    Unnatural heavy metal-containing amino acid analogs have shown to be very important in the analysis of protein structure, using methods such as X-ray crystallography, mass spectroscopy, and NMR spectroscopy. Synthesis and incorporation of selenium-containing methionine analogs has already been shown in the literature however with some drawbacks due to toxicity to host organisms. Thus synthesis of heavy metal tryptophan analogs should prove to be more effective since the amino acid tryptophan is naturally less abundant in many proteins. For example, bioincorporation of β-seleno[3,2-b]pyrrolyl-L-alanine ([4,5]SeTrp) and β-selenolo[2,3-b]pyrrolyl-L-alanine ([6,7]SeTrp) has been shown in the following proteins without structural or catalytic perturbations: human annexin V, barstar, and dihydrofolate reductase. The reported synthesis of these Se-containing analogs is currently not efficient for commercial purposes. Thus a more efficient, concise, high-yield synthesis of selenotryptophan, as well as the corresponding, tellurotryptophan, will be necessary for wide spread use of these unnatural amino acid analogs. This research will highlight our progress towards a synthetic route of both [6,7]SeTrp and [6,7]TeTrp, which ultimately will be used to study the effect on the catalytic activity of Lignin Peroxidase (LiP).

  10. The effects of oat β-glucan incorporation on the quality, structure, consumer acceptance and glycaemic response of steamed bread.

    Science.gov (United States)

    Wang, Lei; Ye, Fayin; Feng, Liyuan; Wei, Fubin; Zhao, Guohua

    2017-12-01

    The objective of this study was to evaluate the effects of the incorporation of oat β-glucan (OβG) on the sensory and nutritional quality of steamed bread. Wheat flour was substituted with OβG at levels varying from 0 g/100 g to 5 g/100 g. The results showed that the products containing 1 g/100 g and 3 g/100 g OβG produced a comparable overall consumer acceptance while a significantly lower score was given to the product with 5 g/100 g. Nutritionally, the presence of OβG impeded in vitro starch hydrolysis by amylolytic enzymes. More importantly, the addition of OβG up to 5 g/100 g did bring about a lower in vitro predicted glycaemic index to steamed bread, but it generated insignificant effects on the in vivo glycaemic response. The current work first demonstrated the feasibility of fabricating OβG-enriched steamed bread and its nutritional superiority compared to the corresponding normal product. Modern methods of food elaboration and processing frequently reduce the content of dietary fiber (DF). Despite the well-known health benefits of DF consumption, average intake levels still fall far below recommended ones. Oat β-glucan (OβG) is a kind of indigestible polysaccharide with diverse bioactivity. This article evaluated the effects of OβG incorporation on quality, structure, consumer acceptance, and glycaemic response of steamed bread. The addition of less than 3 g/100 g of OβG had negligible effects on the consumer acceptance of steamed bread. The enrichment at 5 g/100 g indeed deteriorated the consumer acceptance. Moreover, OβG highly lowered the glycaemic response of steamed bread. The current work first demonstrated the feasibility of fabricating OβG-enriched steamed bread and its nutritional superiority compared to the corresponding normal product. OβG enriched steamed bread may offer an alternative to improve DF intake of residents. © 2017 Wiley Periodicals, Inc.

  11. Structured Statistical Models of Inductive Reasoning

    Science.gov (United States)

    Kemp, Charles; Tenenbaum, Joshua B.

    2009-01-01

    Everyday inductive inferences are often guided by rich background knowledge. Formal models of induction should aim to incorporate this knowledge and should explain how different kinds of knowledge lead to the distinctive patterns of reasoning found in different inductive contexts. This article presents a Bayesian framework that attempts to meet…

  12. Incorporating a Time Horizon in Rate-of-Return Estimations: Discounted Cash Flow Model in Electric Transmission Rate Cases

    International Nuclear Information System (INIS)

    Chatterjee, Bishu; Sharp, Peter A.

    2006-01-01

    Electric transmission and other rate cases use a form of the discounted cash flow model with a single long-term growth rate to estimate rates of return on equity. It cannot incorporate information about the appropriate time horizon for which analysts' estimates of earnings growth have predictive powers. Only a non-constant growth model can explicitly recognize the importance of the time horizon in an ROE calculation. (author)

  13. Development of Advanced Continuum Models that Incorporate Nanomechanical Deformation into Engineering Analysis.

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan; McDowell, David L.; Mayeur, Jason R.; Tucker, Garritt J.; Bammann, Douglas J.; Gao, Huajian

    2008-09-01

    Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscale materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J

  14. Strategies for Incorporating Women-Specific Sexuality Education into Addiction Treatment Models

    Science.gov (United States)

    James, Raven

    2007-01-01

    This paper advocates for the incorporation of a women-specific sexuality curriculum in the addiction treatment process to aid in sexual healing and provide for aftercare issues. Sexuality in addiction treatment modalities is often approached from a sex-negative stance, or that of sexual victimization. Sexual issues are viewed as addictive in and…

  15. Parametric structural modeling of insect wings

    International Nuclear Information System (INIS)

    Mengesha, T E; Vallance, R R; Barraja, M; Mittal, R

    2009-01-01

    Insects produce thrust and lift forces via coupled fluid-structure interactions that bend and twist their compliant wings during flapping cycles. Insight into this fluid-structure interaction is achieved with numerical modeling techniques such as coupled finite element analysis and computational fluid dynamics, but these methods require accurate and validated structural models of insect wings. Structural models of insect wings depend principally on the shape, dimensions and material properties of the veins and membrane cells. This paper describes a method for parametric modeling of wing geometry using digital images and demonstrates the use of the geometric models in constructing three-dimensional finite element (FE) models and simple reduced-order models. The FE models are more complete and accurate than previously reported models since they accurately represent the topology of the vein network, as well as the shape and dimensions of the veins and membrane cells. The methods are demonstrated by developing a parametric structural model of a cicada forewing.

  16. Structure functions from chiral soliton models

    International Nuclear Information System (INIS)

    Weigel, H.; Reinhardt, H.; Gamberg, L.

    1997-01-01

    We study nucleon structure functions within the bosonized Nambu-Jona-Lasinio (NJL) model where the nucleon emerges as a chiral soliton. We discuss the model predictions on the Gottfried sum rule for electron-nucleon scattering. A comparison with a low-scale parametrization shows that the model reproduces the gross features of the empirical structure functions. We also compute the leading twist contributions of the polarized structure functions g 1 and g 2 in this model. We compare the model predictions on these structure functions with data from the E143 experiment by GLAP evolving them from the scale characteristic for the NJL-model to the scale of the data

  17. Incorporation of oxygen contribution by plant roots into classical dissolved oxygen deficit model for a subsurface flow treatment wetland.

    Science.gov (United States)

    Bezbaruah, Achintya N; Zhang, Tian C

    2009-01-01

    It has been long established that plants play major roles in a treatment wetland. However, the role of plants has not been incorporated into wetland models. This study tries to incorporate wetland plants into a biochemical oxygen demand (BOD) model so that the relative contributions of the aerobic and anaerobic processes to meeting BOD can be quantitatively determined. The classical dissolved oxygen (DO) deficit model has been modified to simulate the DO curve for a field subsurface flow constructed wetland (SFCW) treating municipal wastewater. Sensitivities of model parameters have been analyzed. Based on the model it is predicted that in the SFCW under study about 64% BOD are degraded through aerobic routes and 36% is degraded anaerobically. While not exhaustive, this preliminary work should serve as a pointer for further research in wetland model development and to determine the values of some of the parameters used in the modified DO deficit and associated BOD model. It should be noted that nitrogen cycle and effects of temperature have not been addressed in these models for simplicity of model formulation. This paper should be read with this caveat in mind.

  18. Integrative structure modeling with the Integrative Modeling Platform.

    Science.gov (United States)

    Webb, Benjamin; Viswanath, Shruthi; Bonomi, Massimiliano; Pellarin, Riccardo; Greenberg, Charles H; Saltzberg, Daniel; Sali, Andrej

    2018-01-01

    Building models of a biological system that are consistent with the myriad data available is one of the key challenges in biology. Modeling the structure and dynamics of macromolecular assemblies, for example, can give insights into how biological systems work, evolved, might be controlled, and even designed. Integrative structure modeling casts the building of structural models as a computational optimization problem, for which information about the assembly is encoded into a scoring function that evaluates candidate models. Here, we describe our open source software suite for integrative structure modeling, Integrative Modeling Platform (https://integrativemodeling.org), and demonstrate its use. © 2017 The Protein Society.

  19. Hydrogen incorporation and radiation induced dynamics in metal-oxide-silicon structures. A study using nuclear reaction analysis

    International Nuclear Information System (INIS)

    Briere, M.A.

    1993-07-01

    Resonant nuclear reaction analysis, using the 1 H( 15 N, αγ) 12 C reaction at 6.4 MeV, has been successfully applied to the investigation of hydrogen incorporation and radiation induced migration in metal-oxide-silicon structures. A preliminary study of the influence of processing parameters on the H content of thermal oxides, with and without gate material present, has been performed. It is found that the dominant source of hydrogen in Al gate devices and dry oxides is often contamination, likely in the form of adsorbed water vapor, formed upon exposure to room air after removal from the oxidation furnace. Concentrations of hydrogen in the bulk oxide as high as 3 10 20 cm -3 (Al gate), and as low as 1 10 18 cm -3 (poly Si-gate) have been observed. Hydrogen accumulation at the Si-SiO 2 interface has been reproducibly demonstrated for as-oxidized samples, as well as for oxides exposed to H 2 containing atmospheres during subsequent thermal processing. The migration of hydrogen, from the bulk oxide to the silicon-oxide interface during NRA, has been observed and intensively investigated. A direct correlation between the hydrogen content of the bulk oxide and the radiation generated oxide charges and interface states is presented. These data provide strong support for the important role of hydrogen in determining the radiation sensitivity of electronic devices. (orig.)

  20. Structural and optical changes induced by incorporation of antimony into InAs/GaAs(001) quantum dots

    International Nuclear Information System (INIS)

    Taboada, A. G.; Alonso-Alvarez, D.; Alen, B.; Rivera, A.; Ripalda, J. M.; Llorens, J. M.; Martin-Sanchez, J.; Gonzalez, Y.; Sanchez, A. M.; Beltran, A. M.; Molina, S. I.; Bozkurt, M.; Ulloa, J. M.; Koenraad, P. M.; Garcia, J. M.

    2010-01-01

    We present experimental evidence of Sb incorporation inside InAs/GaAs(001) quantum dots exposed to an antimony flux immediately before capping with GaAs. The Sb composition profile inside the nanostructures as measured by cross-sectional scanning tunneling and electron transmission microscopies show two differentiated regions within the quantum dots, with an Sb rich alloy at the tip of the quantum dots. Atomic force microscopy and transmission electron microscopy micrographs show increased quantum-dot height with Sb flux exposure. The evolution of the reflection high-energy electron-diffraction pattern suggests that the increased height is due to changes in the quantum-dot capping process related to the presence of segregated Sb atoms. These structural and compositional changes result in a shift of the room-temperature photoluminescence emission from 1.26 to 1.36 μm accompanied by an order of magnitude increase in the room-temperature quantum-dot luminescence intensity.

  1. An evaluation of a paediatric radiation oncology teaching programme incorporating a SCORPIO teaching model

    International Nuclear Information System (INIS)

    Ahern, Verity

    2011-01-01

    Full text: Many radiation oncology registrars have no exposure to paedi atrics during their training, To address this, the Paediatric Special Interest Group of the Royal Australian and New Zealand College of Radiologists has convened a biennial teaching course since 1997. The 2009 course incorpo rated the use of a Structured, Clinical, Objective-Referenced, Problem orientated, Integrated and Organized (SCORPIO) teaching model for small group tutorials. This study evaluates whether the paediatric radiation oncol ogy curriculum can be adapted to the SCORPIO teaching model and to evaluate the revised course from the registrars' perspective. Methods: Teaching and learning resources included a pre-course reading list, a lecture series programme and a SCORPIO workshop. Three evaluation instruments were developed: an overall Course Evaluation Survey for all participants, a SCORPIO Workshop Survey for registrars and a Teacher's SCORPIO Workshop Survey. Results: Forty-five radiation oncology registrars, 14 radiation therapists and five paediatric oncology registrars attended. Seventy-three per cent (47/64) of all participants completed the Course Evaluation Survey and 95% (38/40) of registrars completed the SCORPIO Workshop Survey. All teachers com pleted the Teacher's SCORPIO Survey (10/10). The overall educational expe rience was rated as good or excellent by 93% (43/47) of respondents. Ratings of satisfaction with lecture sessions were predominantly good or excellent. Registrars gave the SCORPIO workshop high ratings on each of 10 aspects of quality, with 82% allocating an excellent rating overall for the SCORPIO activity. Both registrars and teachers recommended more time for the SCORPIO stations. Conclusions: The 2009 course met the educational needs of the radiation oncology registrars and the SCORPIO workshop was a highly valued educa tional component.

  2. Relating structure and dynamics in organisation models

    NARCIS (Netherlands)

    Jonkers, C.M.; Treur, J.

    2002-01-01

    To understand how an organisational structure relates to dynamics is an interesting fundamental challenge in the area of social modelling. Specifications of organisational structure usually have a diagrammatic form that abstracts from more detailed dynamics. Dynamic properties of agent systems,

  3. A mathematical model to determine incorporated quantities of radioactivity from the measured photometric values of tritium-autoradiographs in neuroanatomy

    International Nuclear Information System (INIS)

    Jennissen, J.J.

    1981-01-01

    The mathematical/empirical model developed in this paper helps to determine the incorporated radioactivity from the measured photometric values and the exposure time T. Possible errors of autoradiography due to the exposure time or the preparation are taken into consideration by the empirical model. It is shown that the error of appr. 400% appearing in the sole comparison of the measured photometric values can be corrected. The model is valid for neuroanatomy as optical nerves, i.e. neuroanatomical material, were used to develop it. Its application also to the other sections of the central nervous system seems to be justified due to the reduction of errors thus achieved. (orig.) [de

  4. A computational model incorporating neural stem cell dynamics reproduces glioma incidence across the lifespan in the human population.

    Directory of Open Access Journals (Sweden)

    Roman Bauer

    Full Text Available Glioma is the most common form of primary brain tumor. Demographically, the risk of occurrence increases until old age. Here we present a novel computational model to reproduce the probability of glioma incidence across the lifespan. Previous mathematical models explaining glioma incidence are framed in a rather abstract way, and do not directly relate to empirical findings. To decrease this gap between theory and experimental observations, we incorporate recent data on cellular and molecular factors underlying gliomagenesis. Since evidence implicates the adult neural stem cell as the likely cell-of-origin of glioma, we have incorporated empirically-determined estimates of neural stem cell number, cell division rate, mutation rate and oncogenic potential into our model. We demonstrate that our model yields results which match actual demographic data in the human population. In particular, this model accounts for the observed peak incidence of glioma at approximately 80 years of age, without the need to assert differential susceptibility throughout the population. Overall, our model supports the hypothesis that glioma is caused by randomly-occurring oncogenic mutations within the neural stem cell population. Based on this model, we assess the influence of the (experimentally indicated decrease in the number of neural stem cells and increase of cell division rate during aging. Our model provides multiple testable predictions, and suggests that different temporal sequences of oncogenic mutations can lead to tumorigenesis. Finally, we conclude that four or five oncogenic mutations are sufficient for the formation of glioma.

  5. Incorporating wind availability into land use regression modelling of air quality in mountainous high-density urban environment.

    Science.gov (United States)

    Shi, Yuan; Lau, Kevin Ka-Lun; Ng, Edward

    2017-08-01

    Urban air quality serves as an important function of the quality of urban life. Land use regression (LUR) modelling of air quality is essential for conducting health impacts assessment but more challenging in mountainous high-density urban scenario due to the complexities of the urban environment. In this study, a total of 21 LUR models are developed for seven kinds of air pollutants (gaseous air pollutants CO, NO 2 , NO x , O 3 , SO 2 and particulate air pollutants PM 2.5 , PM 10 ) with reference to three different time periods (summertime, wintertime and annual average of 5-year long-term hourly monitoring data from local air quality monitoring network) in Hong Kong. Under the mountainous high-density urban scenario, we improved the traditional LUR modelling method by incorporating wind availability information into LUR modelling based on surface geomorphometrical analysis. As a result, 269 independent variables were examined to develop the LUR models by using the "ADDRESS" independent variable selection method and stepwise multiple linear regression (MLR). Cross validation has been performed for each resultant model. The results show that wind-related variables are included in most of the resultant models as statistically significant independent variables. Compared with the traditional method, a maximum increase of 20% was achieved in the prediction performance of annual averaged NO 2 concentration level by incorporating wind-related variables into LUR model development. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. Lipid structure does not modify incorporation of EPA and DHA into blood lipids in healthy adults: a randomised-controlled trial.

    Science.gov (United States)

    West, Annette L; Burdge, Graham C; Calder, Philip C

    2016-09-01

    Dietary supplementation is an effective means to improve EPA and DHA status. However, it is unclear whether lipid structure affects EPA+DHA bioavailability. We determined the effect of consuming different EPA and DHA lipid structures on their concentrations in blood during the postprandial period and during dietary supplementation compared with unmodified fish oil TAG (uTAG). In a postprandial cross-over study, healthy men (n 9) consumed in random order test meals containing 1·1 g EPA+0·37 g DHA as either uTAG, re-esterified TAG, free fatty acids (FFA) or ethyl esters (EE). In a parallel design supplementation study, healthy men and women (n 10/sex per supplement) consumed one supplement type for 12 weeks. Fatty acid composition was determined by GC. EPA incorporation over 6 h into TAG or phosphatidylcholine (PC) did not differ between lipid structures. EPA enrichment in NEFA was lower from EE than from uTAG (P=0·01). Plasma TAG, PC or NEFA DHA incorporation did not differ between lipid structures. Lipid structure did not affect TAG or NEFA EPA incorporation and PC or NEFA DHA incorporation following dietary supplementation. Plasma TAG peak DHA incorporation was greater (P=0·02) and time to peak shorter (P=0·02) from FFA than from uTAG in men. In both studies, the order of EPA and DHA incorporation was PC>TAG>NEFA. In conclusion, EPA and DHA lipid structure may not be an important consideration in dietary interventions.

  7. Modeling and identification in structural dynamics

    OpenAIRE

    Jayakumar, Paramsothy

    1987-01-01

    Analytical modeling of structures subjected to ground motions is an important aspect of fully dynamic earthquake-resistant design. In general, linear models are only sufficient to represent structural responses resulting from earthquake motions of small amplitudes. However, the response of structures during strong ground motions is highly nonlinear and hysteretic. System identification is an effective tool for developing analytical models from experimental data. Testing of full-scale prot...

  8. A mechano-regulatory bone-healing model incorporating cell-phenotype specific activity

    NARCIS (Netherlands)

    Isaksson, H.E.; Donkelaar, van C.C.; Huiskes, R.; Ito, K.

    2008-01-01

    Phenomenological computational models of tissue regeneration and bone healing have been only partially successful in predicting experimental observations. This may be a result of simplistic modeling of cellular activity. Furthermore, phenomenological models are limited when considering the effects

  9. Modeling, Analysis, and Optimization Issues for Large Space Structures

    Science.gov (United States)

    Pinson, L. D. (Compiler); Amos, A. K. (Compiler); Venkayya, V. B. (Compiler)

    1983-01-01

    Topics concerning the modeling, analysis, and optimization of large space structures are discussed including structure-control interaction, structural and structural dynamics modeling, thermal analysis, testing, and design.

  10. Structured spatio-temporal shot-noise Cox point process models, with a view to modelling forest fires

    DEFF Research Database (Denmark)

    Møller, Jesper; Diaz-Avalos, Carlos

    Spatio-temporal Cox point process models with a multiplicative structure for the driving random intensity, incorporating covariate information into temporal and spatial components, and with a residual term modelled by a shot-noise process, are considered. Such models are flexible and tractable fo...... dataset consisting of 2796 days and 5834 spatial locations of fires. The model is compared with a spatio-temporal log-Gaussian Cox point process model, and likelihood-based methods are discussed to some extent....

  11. [Incorporation of an organic MAGIC (Model of Acidification of Groundwater in Catchments) and testing of the revised model using independent data sources]. [MAGIC Model

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, T.J.

    1992-09-01

    A project was initiated in March, 1992 to (1) incorporate a rigorous organic acid representation, based on empirical data and geochemical considerations, into the MAGIC model of acidification response, and (2) test the revised model using three sets of independent data. After six months of performance, the project is on schedule and the majority of the tasks outlined for Year 1 have been successfully completed. Major accomplishments to data include development of the organic acid modeling approach, using data from the Adirondack Lakes Survey Corporation (ALSC), and coupling the organic acid model with MAGIC for chemical hindcast comparisons. The incorporation of an organic acid representation into MAGIC can account for much of the discrepancy earlier observed between MAGIC hindcasts and paleolimnological reconstructions of preindustrial pH and alkalinity for 33 statistically-selected Adirondack lakes. Additional work is on-going for model calibration and testing with data from two whole-catchment artificial acidification projects. Results obtained thus far are being prepared as manuscripts for submission to the peer-reviewed scientific literature.

  12. Perturbation of N-linked oligosaccharide structure results in an altered incorporation of [3H]palmitate into specific proteins in Chinese hamster ovary cells

    International Nuclear Information System (INIS)

    Wellner, R.B.; Ghosh, P.C.; Roecklein, B.; Wu, H.C.

    1987-01-01

    Increased [ 3 H]palmitate incorporation into specific cellular proteins has been reported to occur in Chinese hamster ovary and yeast mutant cells. In this paper we report studies concerning the relationship between N-linked oligosaccharide structure and [ 3 H]palmitate incorporation into proteins of Chinese hamster ovary (CHO) cells. We have compared the incorporation of [ 3 H]palmitate into proteins of wild-type and four different mutant CHO cell lines defective in various steps of N-linked protein glycosylation. Sodium dodecyl sulfate-gel electrophoretic analysis showed that three of the mutants exhibited increased [ 3 H]palmitate incorporation into several CHO cellular proteins (approximately 30,000-38,000 molecular weight) as compared to the wild-type cells. One of the affected mutants which accumulates the Man5Gn2Asn intermediate structure was examined in detail. In agreement with earlier reports, virtually all of the [ 3 H] palmitate-labeled proteins of both wild-type and mutant cell lines are membrane-bound. Pretreatment of the mutant cell line with tunicamycin blocked the increased [ 3 H]palmitate incorporation into the two specific proteins (both of approximately 30,000 molecular weight) observed in untreated cells; the decreased incorporation of [ 3 H]palmitate into the 30,000 molecular weight species was accompanied by a concomitant increase in the incorporation of [ 3 H]palmitate into two proteins of approximately 20,000 molecular weight. Pretreatment of wild-type cells with tunicamycin also caused increased [ 3 H]palmitate incorporation into the 20,000 molecular weight species

  13. Glucose oxidase incorporated collagen matrices for dermal wound repair in diabetic rat models: a biochemical study.

    Science.gov (United States)

    Arul, V; Masilamoni, J G; Jesudason, E P; Jaji, P J; Inayathullah, M; Dicky John, D G; Vignesh, S; Jayakumar, R

    2012-05-01

    Impaired wound healing in diabetes is a well-documented phenomenon. Emerging data favor the involvement of free radicals in the pathogenesis of diabetic wound healing. We investigated the beneficial role of the sustained release of reactive oxygen species (ROS) in diabetic dermal wound healing. In order to achieve the sustained delivery of ROS in the wound bed, we have incorporated glucose oxidase in the collagen matrix (GOIC), which is applied to the healing diabetic wound. Our in vitro proteolysis studies on incorporated GOIC show increased stability against the proteases in the collagen matrix. In this study, GOIC film and collagen film (CF) are used as dressing material on the wound of streptozotocin-induced diabetic rats. A significant increase in ROS (p < 0.05) was observed in the fibroblast of GOIC group during the inflammation period compared to the CF and control groups. This elevated level up regulated the antioxidant status in the granulation tissue and improved cellular proliferation in the GOIC group. Interestingly, our biochemical parameters nitric oxide, hydroxyproline, uronic acid, protein, and DNA content in the healing wound showed that there is an increase in proliferation of cells in GOIC when compared to the control and CF groups. In addition, evidence from wound contraction and histology reveals faster healing in the GOIC group. Our observations document that GOIC matrices could be effectively used for diabetic wound healing therapy.

  14. Antibody structural modeling with prediction of immunoglobulin structure (PIGS)

    KAUST Repository

    Marcatili, Paolo; Olimpieri, Pier Paolo; Chailyan, Anna; Tramontano, Anna

    2014-01-01

    of antibodies with a very satisfactory accuracy. The strategy is completely automated and extremely fast, requiring only a few minutes (~10 min on average) to build a structural model of an antibody. It is based on the concept of canonical structures of antibody

  15. What Factors Constitute Structures of Clustering Creative Industries? Incorporating New Institutional Economics and New Economic Sociology into A Conceptual Framework

    Directory of Open Access Journals (Sweden)

    Poppy Ismalina

    2012-11-01

    Full Text Available Creative industries tend to cluster in specific places and the reasons for this phenomenon can be a multiplicity of elements linked mainly to culture, creativity, innovation and local development. In the international literature, it is pretty well recognized that creativity is frequently characterized by the agglomeration of firms so that creative industries are not homogeneously distributed across the territory but they are concentrated in the space. Three theories are becoming the dominant theoretical perspectives in agglomeration economies theory and they are increasingly being applied in industrial clusters analysis to study the effect of clustering industries. The theories are Marshall’s theoretical principles of localization economies, Schmitz’s collective efficiency and Porter’s five-diamond approach. However, those have adequately theorized neither the institutionalization process through which change takes place nor the socio-economic context of the institutional formations of clustering creative industries. This text begins by reviewing three main theories to more fully articulate institutionalization processes of an economic institution. Specifically, this paper incorporates new institutional economics (NIE and new economic sociology (NES to explain the processes associated with creating institutional practices within clustering creative industries. Both streams of institutional theory constitute that economic organizations are socially constructed. Next, this text proposes the framework that depicts the socio-economic context better and more directly addresses the dynamics of enacting, embedding and changing organizational features and processes within clustering creative industries. Some pertinent definitions are offered to be used in a conceptual framework of research about how economic institutions like clustering creative industries constitute their structures.

  16. Incorporating population viability models into species status assessment and listing decisions under the U.S. Endangered Species Act

    Directory of Open Access Journals (Sweden)

    Conor P. McGowan

    2017-10-01

    Full Text Available Assessment of a species' status is a key part of management decision making for endangered and threatened species under the U.S. Endangered Species Act. Predicting the future state of the species is an essential part of species status assessment, and projection models can play an important role in developing predictions. We built a stochastic simulation model that incorporated parametric and environmental uncertainty to predict the probable future status of the Sonoran desert tortoise in the southwestern United States and North Central Mexico. Sonoran desert tortoise was a Candidate species for listing under the Endangered Species Act, and decision makers wanted to use model predictions in their decision making process. The model accounted for future habitat loss and possible effects of climate change induced droughts to predict future population growth rates, abundances, and quasi-extinction probabilities. Our model predicts that the population will likely decline over the next few decades, but there is very low probability of quasi-extinction less than 75 years into the future. Increases in drought frequency and intensity may increase extinction risk for the species. Our model helped decision makers predict and characterize uncertainty about the future status of the species in their listing decision. We incorporated complex ecological processes (e.g., climate change effects on tortoises in transparent and explicit ways tailored to support decision making processes related to endangered species.

  17. Incorporating population viability models into species status assessment and listing decisions under the U.S. Endangered Species Act

    Science.gov (United States)

    McGowan, Conor P.; Allan, Nathan; Servoss, Jeff; Hedwall, Shaula J.; Wooldridge, Brian

    2017-01-01

    Assessment of a species' status is a key part of management decision making for endangered and threatened species under the U.S. Endangered Species Act. Predicting the future state of the species is an essential part of species status assessment, and projection models can play an important role in developing predictions. We built a stochastic simulation model that incorporated parametric and environmental uncertainty to predict the probable future status of the Sonoran desert tortoise in the southwestern United States and North Central Mexico. Sonoran desert tortoise was a Candidate species for listing under the Endangered Species Act, and decision makers wanted to use model predictions in their decision making process. The model accounted for future habitat loss and possible effects of climate change induced droughts to predict future population growth rates, abundances, and quasi-extinction probabilities. Our model predicts that the population will likely decline over the next few decades, but there is very low probability of quasi-extinction less than 75 years into the future. Increases in drought frequency and intensity may increase extinction risk for the species. Our model helped decision makers predict and characterize uncertainty about the future status of the species in their listing decision. We incorporated complex ecological processes (e.g., climate change effects on tortoises) in transparent and explicit ways tailored to support decision making processes related to endangered species.

  18. Mathematical Modeling: A Structured Process

    Science.gov (United States)

    Anhalt, Cynthia Oropesa; Cortez, Ricardo

    2015-01-01

    Mathematical modeling, in which students use mathematics to explain or interpret physical, social, or scientific phenomena, is an essential component of the high school curriculum. The Common Core State Standards for Mathematics (CCSSM) classify modeling as a K-12 standard for mathematical practice and as a conceptual category for high school…

  19. Relativistic models of nuclear structure

    International Nuclear Information System (INIS)

    Gillet, V.; Kim, E.J.; Cauvin, M.; Kohmura, T.; Ohnaka, S.

    1991-01-01

    The introduction of the relativistic field formalism for the description of nuclear structure has improved our understanding of fundamental nuclear mechanisms such as saturation or many body forces. We discuss some of these progresses, both in the semi-classical mean field approximation and in a quantized meson field approach. (author)

  20. Probabilistic models for structured sparsity

    DEFF Research Database (Denmark)

    Andersen, Michael Riis

    sparse solutions to linear inverse problems. In this part, the sparsity promoting prior known as the spike-and-slab prior (Mitchell and Beauchamp, 1988) is generalized to the structured sparsity setting. An expectation propagation algorithm is derived for approximate posterior inference. The proposed...

  1. A new general methodology for incorporating physico-chemical transformations into multi-phase wastewater treatment process models.

    Science.gov (United States)

    Lizarralde, I; Fernández-Arévalo, T; Brouckaert, C; Vanrolleghem, P; Ikumi, D S; Ekama, G A; Ayesa, E; Grau, P

    2015-05-01

    This paper introduces a new general methodology for incorporating physico-chemical and chemical transformations into multi-phase wastewater treatment process models in a systematic and rigorous way under a Plant-Wide modelling (PWM) framework. The methodology presented in this paper requires the selection of the relevant biochemical, chemical and physico-chemical transformations taking place and the definition of the mass transport for the co-existing phases. As an example a mathematical model has been constructed to describe a system for biological COD, nitrogen and phosphorus removal, liquid-gas transfer, precipitation processes, and chemical reactions. The capability of the model has been tested by comparing simulated and experimental results for a nutrient removal system with sludge digestion. Finally, a scenario analysis has been undertaken to show the potential of the obtained mathematical model to study phosphorus recovery. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. Modelling the harmonized tertiary Institutions Salary Structure ...

    African Journals Online (AJOL)

    This paper analyses the Harmonized Tertiary Institution Salary Structure (HATISS IV) used in Nigeria. The irregularities in the structure are highlighted. A model that assumes a polynomial trend for the zero step salary, and exponential trend for the incremental rates, is suggested for the regularization of the structure.

  3. Structural Equation Modeling of Multivariate Time Series

    Science.gov (United States)

    du Toit, Stephen H. C.; Browne, Michael W.

    2007-01-01

    The covariance structure of a vector autoregressive process with moving average residuals (VARMA) is derived. It differs from other available expressions for the covariance function of a stationary VARMA process and is compatible with current structural equation methodology. Structural equation modeling programs, such as LISREL, may therefore be…

  4. Structural modeling techniques by finite element method

    International Nuclear Information System (INIS)

    Kang, Yeong Jin; Kim, Geung Hwan; Ju, Gwan Jeong

    1991-01-01

    This book includes introduction table of contents chapter 1 finite element idealization introduction summary of the finite element method equilibrium and compatibility in the finite element solution degrees of freedom symmetry and anti symmetry modeling guidelines local analysis example references chapter 2 static analysis structural geometry finite element models analysis procedure modeling guidelines references chapter 3 dynamic analysis models for dynamic analysis dynamic analysis procedures modeling guidelines and modeling guidelines.

  5. Residual Structures in Latent Growth Curve Modeling

    Science.gov (United States)

    Grimm, Kevin J.; Widaman, Keith F.

    2010-01-01

    Several alternatives are available for specifying the residual structure in latent growth curve modeling. Two specifications involve uncorrelated residuals and represent the most commonly used residual structures. The first, building on repeated measures analysis of variance and common specifications in multilevel models, forces residual variances…

  6. A Teaching Model for Truss Structures

    Science.gov (United States)

    Bigoni, Davide; Dal Corso, Francesco; Misseroni, Diego; Tommasini, Mirko

    2012-01-01

    A classroom demonstration model has been designed, machined and successfully tested in different learning environments to facilitate understanding of the mechanics of truss structures, in which struts are subject to purely axial load and deformation. Gaining confidence with these structures is crucial for the development of lattice models, which…

  7. Exploring RNA structure by integrative molecular modelling

    DEFF Research Database (Denmark)

    Masquida, Benoît; Beckert, Bertrand; Jossinet, Fabrice

    2010-01-01

    RNA molecular modelling is adequate to rapidly tackle the structure of RNA molecules. With new structured RNAs constituting a central class of cellular regulators discovered every year, the need for swift and reliable modelling methods is more crucial than ever. The pragmatic method based...... on interactive all-atom molecular modelling relies on the observation that specific structural motifs are recurrently found in RNA sequences. Once identified by a combination of comparative sequence analysis and biochemical data, the motifs composing the secondary structure of a given RNA can be extruded...

  8. Using stochastic models to incorporate spatial and temporal variability [Exercise 14

    Science.gov (United States)

    Carolyn Hull Sieg; Rudy M. King; Fred Van Dyke

    2003-01-01

    To this point, our analysis of population processes and viability in the western prairie fringed orchid has used only deterministic models. In this exercise, we conduct a similar analysis, using a stochastic model instead. This distinction is of great importance to population biology in general and to conservation biology in particular. In deterministic models,...

  9. A Mass Balance Model for Designing Green Roof Systems that Incorporate a Cistern for Re-Use

    Directory of Open Access Journals (Sweden)

    Manoj Chopra

    2012-11-01

    Full Text Available Green roofs, which have been used for several decades in many parts of the world, offer a unique and sustainable approach to stormwater management. Within this paper, evidence is presented on water retention for an irrigated green roof system. The presented green roof design results in a water retention volume on site. A first principle mass balance computer model is introduced to assist with the design of these green roof systems which incorporate a cistern to capture and reuse runoff waters for irrigation of the green roof. The model is used to estimate yearly stormwater retention volume for different cistern storage volumes. Additionally, the Blaney and Criddle equation is evaluated for estimation of monthly evapotranspiration rates for irrigated systems and incorporated into the model. This is done so evapotranspiration rates can be calculated for regions where historical data does not exist, allowing the model to be used anywhere historical weather data are available. This model is developed and discussed within this paper as well as compared to experimental results.

  10. A constitutive mechanical model for gas hydrate bearing sediments incorporating inelastic mechanisms

    KAUST Repository

    Sá nchez, Marcelo; Gai, Xuerui; Santamarina, Carlos

    2016-01-01

    , hydrates dissociate and move from the solid to the gas phase. Hydrate dissociation is accompanied by significant changes in sediment structure and strongly affects its mechanical behavior (e.g., sediment stiffenss, strength and dilatancy). The mechanical

  11. Structural equation modeling methods and applications

    CERN Document Server

    Wang, Jichuan

    2012-01-01

    A reference guide for applications of SEM using Mplus Structural Equation Modeling: Applications Using Mplus is intended as both a teaching resource and a reference guide. Written in non-mathematical terms, this book focuses on the conceptual and practical aspects of Structural Equation Modeling (SEM). Basic concepts and examples of various SEM models are demonstrated along with recently developed advanced methods, such as mixture modeling and model-based power analysis and sample size estimate for SEM. The statistical modeling program, Mplus, is also featured and provides researchers with a

  12. Incorporating Cold Cap Behavior in a Joule-heated Waste Glass Melter Model

    Energy Technology Data Exchange (ETDEWEB)

    Varija Agarwal; Donna Post Guillen

    2013-08-01

    In this paper, an overview of Joule-heated waste glass melters used in the vitrification of high level waste (HLW) is presented, with a focus on the cold cap region. This region, in which feed-to-glass conversion reactions occur, is critical in determining the melting properties of any given glass melter. An existing 1D computer model of the cold cap, implemented in MATLAB, is described in detail. This model is a standalone model that calculates cold cap properties based on boundary conditions at the top and bottom of the cold cap. Efforts to couple this cold cap model with a 3D STAR-CCM+ model of a Joule-heated melter are then described. The coupling is being implemented in ModelCenter, a software integration tool. The ultimate goal of this model is to guide the specification of melter parameters that optimize glass quality and production rate.

  13. A hybrid health service accreditation program model incorporating mandated standards and continuous improvement: interview study of multiple stakeholders in Australian health care.

    Science.gov (United States)

    Greenfield, David; Hinchcliff, Reece; Hogden, Anne; Mumford, Virginia; Debono, Deborah; Pawsey, Marjorie; Westbrook, Johanna; Braithwaite, Jeffrey

    2016-07-01

    The study aim was to investigate the understandings and concerns of stakeholders regarding the evolution of health service accreditation programs in Australia. Stakeholder representatives from programs in the primary, acute and aged care sectors participated in semi-structured interviews. Across 2011-12 there were 47 group and individual interviews involving 258 participants. Interviews lasted, on average, 1 h, and were digitally recorded and transcribed. Transcriptions were analysed using textual referencing software. Four significant issues were considered to have directed the evolution of accreditation programs: altering underlying program philosophies; shifting of program content focus and details; different surveying expectations and experiences and the influence of external contextual factors upon accreditation programs. Three accreditation program models were noted by participants: regulatory compliance; continuous quality improvement and a hybrid model, incorporating elements of these two. Respondents noted the compatibility or incommensurability of the first two models. Participation in a program was reportedly experienced as ranging on a survey continuum from "malicious compliance" to "performance audits" to "quality improvement journeys". Wider contextual factors, in particular, political and community expectations, and associated media reporting, were considered significant influences on the operation and evolution of programs. A hybrid accreditation model was noted to have evolved. The hybrid model promotes minimum standards and continuous quality improvement, through examining the structure and processes of organisations and the outcomes of care. The hybrid model appears to be directing organisational and professional attention to enhance their safety cultures. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  14. An evolving network model with community structure

    International Nuclear Information System (INIS)

    Li Chunguang; Maini, Philip K

    2005-01-01

    Many social and biological networks consist of communities-groups of nodes within which connections are dense, but between which connections are sparser. Recently, there has been considerable interest in designing algorithms for detecting community structures in real-world complex networks. In this paper, we propose an evolving network model which exhibits community structure. The network model is based on the inner-community preferential attachment and inter-community preferential attachment mechanisms. The degree distributions of this network model are analysed based on a mean-field method. Theoretical results and numerical simulations indicate that this network model has community structure and scale-free properties

  15. Modeling process-structure-property relationships for additive manufacturing

    Science.gov (United States)

    Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Yu, Cheng; Liu, Zeliang; Lian, Yanping; Wolff, Sarah; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

    2018-02-01

    This paper presents our latest work on comprehensive modeling of process-structure-property relationships for additive manufacturing (AM) materials, including using data-mining techniques to close the cycle of design-predict-optimize. To illustrate the processstructure relationship, the multi-scale multi-physics process modeling starts from the micro-scale to establish a mechanistic heat source model, to the meso-scale models of individual powder particle evolution, and finally to the macro-scale model to simulate the fabrication process of a complex product. To link structure and properties, a highefficiency mechanistic model, self-consistent clustering analyses, is developed to capture a variety of material response. The model incorporates factors such as voids, phase composition, inclusions, and grain structures, which are the differentiating features of AM metals. Furthermore, we propose data-mining as an effective solution for novel rapid design and optimization, which is motivated by the numerous influencing factors in the AM process. We believe this paper will provide a roadmap to advance AM fundamental understanding and guide the monitoring and advanced diagnostics of AM processing.

  16. Network structure exploration via Bayesian nonparametric models

    International Nuclear Information System (INIS)

    Chen, Y; Wang, X L; Xiang, X; Tang, B Z; Bu, J Z

    2015-01-01

    Complex networks provide a powerful mathematical representation of complex systems in nature and society. To understand complex networks, it is crucial to explore their internal structures, also called structural regularities. The task of network structure exploration is to determine how many groups there are in a complex network and how to group the nodes of the network. Most existing structure exploration methods need to specify either a group number or a certain type of structure when they are applied to a network. In the real world, however, the group number and also the certain type of structure that a network has are usually unknown in advance. To explore structural regularities in complex networks automatically, without any prior knowledge of the group number or the certain type of structure, we extend a probabilistic mixture model that can handle networks with any type of structure but needs to specify a group number using Bayesian nonparametric theory. We also propose a novel Bayesian nonparametric model, called the Bayesian nonparametric mixture (BNPM) model. Experiments conducted on a large number of networks with different structures show that the BNPM model is able to explore structural regularities in networks automatically with a stable, state-of-the-art performance. (paper)

  17. A selenium-deficient Caco-2 cell model for assessing differential incorporation of chemical or food selenium into glutathione peroxidase.

    Science.gov (United States)

    Zeng, Huawei; Botnen, James H; Johnson, Luann K

    2008-01-01

    Assessing the ability of a selenium (Se) sample to induce cellular glutathione peroxidase (GPx) activity in Se-deficient animals is the most commonly used method to determine Se bioavailability. Our goal is to establish a Se-deficient cell culture model with differential incorporation of Se chemical forms into GPx, which may complement the in vivo studies. In the present study, we developed a Se-deficient Caco-2 cell model with a serum gradual reduction method. It is well recognized that selenomethionine (SeMet) is the major nutritional source of Se; therefore, SeMet, selenite, or methylselenocysteine (SeMSC) was added to cell culture media with different concentrations and treatment time points. We found that selenite and SeMSC induced GPx more rapidly than SeMet. However, SeMet was better retained as it is incorporated into proteins in place of methionine; compared with 8-, 24-, or 48-h treatment, 72-h Se treatment was a more sensitive time point to measure the potential of GPx induction in all tested concentrations. Based on induction of GPx activity, the cellular bioavailability of Se from an extract of selenobroccoli after a simulated gastrointestinal digestion was comparable with that of SeMSC and SeMet. These in vitro data are, for the first time, consistent with previous published data regarding selenite and SeMet bioavailability in animal models and Se chemical speciation studies with broccoli. Thus, Se-deficient Caco-2 cell model with differential incorporation of chemical or food forms of Se into GPx provides a new tool to study the cellular mechanisms of Se bioavailability.

  18. Structural Modeling Using "Scanning and Mapping" Technique

    Science.gov (United States)

    Amos, Courtney L.; Dash, Gerald S.; Shen, J. Y.; Ferguson, Frederick; Noga, Donald F. (Technical Monitor)

    2000-01-01

    Supported by NASA Glenn Center, we are in the process developing a structural damage diagnostic and monitoring system for rocket engines, which consists of five modules: Structural Modeling, Measurement Data Pre-Processor, Structural System Identification, Damage Detection Criterion, and Computer Visualization. The function of the system is to detect damage as it is incurred by the engine structures. The scientific principle to identify damage is to utilize the changes in the vibrational properties between the pre-damaged and post-damaged structures. The vibrational properties of the pre-damaged structure can be obtained based on an analytic computer model of the structure. Thus, as the first stage of the whole research plan, we currently focus on the first module - Structural Modeling. Three computer software packages are selected, and will be integrated for this purpose. They are PhotoModeler-Pro, AutoCAD-R14, and MSC/NASTRAN. AutoCAD is the most popular PC-CAD system currently available in the market. For our purpose, it plays like an interface to generate structural models of any particular engine parts or assembly, which is then passed to MSC/NASTRAN for extracting structural dynamic properties. Although AutoCAD is a powerful structural modeling tool, the complexity of engine components requires a further improvement in structural modeling techniques. We are working on a so-called "scanning and mapping" technique, which is a relatively new technique. The basic idea is to producing a full and accurate 3D structural model by tracing on multiple overlapping photographs taken from different angles. There is no need to input point positions, angles, distances or axes. Photographs can be taken by any types of cameras with different lenses. With the integration of such a modeling technique, the capability of structural modeling will be enhanced. The prototypes of any complex structural components will be produced by PhotoModeler first based on existing similar

  19. Integrative modelling of animal movement: incorporating in situ habitat and behavioural information for a migratory marine predator.

    Science.gov (United States)

    Bestley, Sophie; Jonsen, Ian D; Hindell, Mark A; Guinet, Christophe; Charrassin, Jean-Benoît

    2013-01-07

    A fundamental goal in animal ecology is to quantify how environmental (and other) factors influence individual movement, as this is key to understanding responsiveness of populations to future change. However, quantitative interpretation of individual-based telemetry data is hampered by the complexity of, and error within, these multi-dimensional data. Here, we present an integrative hierarchical Bayesian state-space modelling approach where, for the first time, the mechanistic process model for the movement state of animals directly incorporates both environmental and other behavioural information, and observation and process model parameters are estimated within a single model. When applied to a migratory marine predator, the southern elephant seal (Mirounga leonina), we find the switch from directed to resident movement state was associated with colder water temperatures, relatively short dive bottom time and rapid descent rates. The approach presented here can have widespread utility for quantifying movement-behaviour (diving or other)-environment relationships across species and systems.

  20. Incorporating Protein Biosynthesis into the Saccharomyces cerevisiae Genome-scale Metabolic Model

    DEFF Research Database (Denmark)

    Olivares Hernandez, Roberto

    Based on stoichiometric biochemical equations that occur into the cell, the genome-scale metabolic models can quantify the metabolic fluxes, which are regarded as the final representation of the physiological state of the cell. For Saccharomyces Cerevisiae the genome scale model has been construc......Based on stoichiometric biochemical equations that occur into the cell, the genome-scale metabolic models can quantify the metabolic fluxes, which are regarded as the final representation of the physiological state of the cell. For Saccharomyces Cerevisiae the genome scale model has been...

  1. Quantitative analysis of CT brain images: a statistical model incorporating partial volume and beam hardening effects

    International Nuclear Information System (INIS)

    McLoughlin, R.F.; Ryan, M.V.; Heuston, P.M.; McCoy, C.T.; Masterson, J.B.

    1992-01-01

    The purpose of this study was to construct and evaluate a statistical model for the quantitative analysis of computed tomographic brain images. Data were derived from standard sections in 34 normal studies. A model representing the intercranial pure tissue and partial volume areas, with allowance for beam hardening, was developed. The average percentage error in estimation of areas, derived from phantom tests using the model, was 28.47%. We conclude that our model is not sufficiently accurate to be of clinical use, even though allowance was made for partial volume and beam hardening effects. (author)

  2. Incorporation of Satellite Data and Uncertainty in a Nationwide Groundwater Recharge Model in New Zealand

    Directory of Open Access Journals (Sweden)

    Rogier Westerhoff

    2018-01-01

    Full Text Available A nationwide model of groundwater recharge for New Zealand (NGRM, as described in this paper, demonstrated the benefits of satellite data and global models to improve the spatial definition of recharge and the estimation of recharge uncertainty. NGRM was inspired by the global-scale WaterGAP model but with the key development of rainfall recharge calculation on scales relevant to national- and catchment-scale studies (i.e., a 1 km × 1 km cell size and a monthly timestep in the period 2000–2014 provided by satellite data (i.e., MODIS-derived evapotranspiration, AET and vegetation in combination with national datasets of rainfall, elevation, soil and geology. The resulting nationwide model calculates groundwater recharge estimates, including their uncertainty, consistent across the country, which makes the model unique compared to all other New Zealand estimates targeted towards groundwater recharge. At the national scale, NGRM estimated an average recharge of 2500 m 3 /s, or 298 mm/year, with a model uncertainty of 17%. Those results were similar to the WaterGAP model, but the improved input data resulted in better spatial characteristics of recharge estimates. Multiple uncertainty analyses led to these main conclusions: the NGRM model could give valuable initial estimates in data-sparse areas, since it compared well to most ground-observed lysimeter data and local recharge models; and the nationwide input data of rainfall and geology caused the largest uncertainty in the model equation, which revealed that the satellite data could improve spatial characteristics without significantly increasing the uncertainty. Clearly the increasing volume and availability of large-scale satellite data is creating more opportunities for the application of national-scale models at the catchment, and smaller, scales. This should result in improved utility of these models including provision of initial estimates in data-sparse areas. Topics for future

  3. A mathematical model for maximizing the value of phase 3 drug development portfolios incorporating budget constraints and risk.

    Science.gov (United States)

    Patel, Nitin R; Ankolekar, Suresh; Antonijevic, Zoran; Rajicic, Natasa

    2013-05-10

    We describe a value-driven approach to optimizing pharmaceutical portfolios. Our approach incorporates inputs from research and development and commercial functions by simultaneously addressing internal and external factors. This approach differentiates itself from current practices in that it recognizes the impact of study design parameters, sample size in particular, on the portfolio value. We develop an integer programming (IP) model as the basis for Bayesian decision analysis to optimize phase 3 development portfolios using expected net present value as the criterion. We show how this framework can be used to determine optimal sample sizes and trial schedules to maximize the value of a portfolio under budget constraints. We then illustrate the remarkable flexibility of the IP model to answer a variety of 'what-if' questions that reflect situations that arise in practice. We extend the IP model to a stochastic IP model to incorporate uncertainty in the availability of drugs from earlier development phases for phase 3 development in the future. We show how to use stochastic IP to re-optimize the portfolio development strategy over time as new information accumulates and budget changes occur. Copyright © 2013 John Wiley & Sons, Ltd.

  4. Quantitative structure - mesothelioma potency model ...

    Science.gov (United States)

    Cancer potencies of mineral and synthetic elongated particle (EP) mixtures, including asbestos fibers, are influenced by changes in fiber dose composition, bioavailability, and biodurability in combination with relevant cytotoxic dose-response relationships. A unique and comprehensive rat intra-pleural (IP) dose characterization data set with a wide variety of EP size, shape, crystallographic, chemical, and bio-durability properties facilitated extensive statistical analyses of 50 rat IP exposure test results for evaluation of alternative dose pleural mesothelioma response models. Utilizing logistic regression, maximum likelihood evaluations of thousands of alternative dose metrics based on hundreds of individual EP dimensional variations within each test sample, four major findings emerged: (1) data for simulations of short-term EP dose changes in vivo (mild acid leaching) provide superior predictions of tumor incidence compared to non-acid leached data; (2) sum of the EP surface areas (ÓSA) from these mildly acid-leached samples provides the optimum holistic dose response model; (3) progressive removal of dose associated with very short and/or thin EPs significantly degrades resultant ÓEP or ÓSA dose-based predictive model fits, as judged by Akaike’s Information Criterion (AIC); and (4) alternative, biologically plausible model adjustments provide evidence for reduced potency of EPs with length/width (aspect) ratios 80 µm. Regar

  5. Tree-Structured Digital Organisms Model

    Science.gov (United States)

    Suzuki, Teruhiko; Nobesawa, Shiho; Tahara, Ikuo

    Tierra and Avida are well-known models of digital organisms. They describe a life process as a sequence of computation codes. A linear sequence model may not be the only way to describe a digital organism, though it is very simple for a computer-based model. Thus we propose a new digital organism model based on a tree structure, which is rather similar to the generic programming. With our model, a life process is a combination of various functions, as if life in the real world is. This implies that our model can easily describe the hierarchical structure of life, and it can simulate evolutionary computation through mutual interaction of functions. We verified our model by simulations that our model can be regarded as a digital organism model according to its definitions. Our model even succeeded in creating species such as viruses and parasites.

  6. A Bayesian Double Fusion Model for Resting-State Brain Connectivity Using Joint Functional and Structural Data

    KAUST Repository

    Kang, Hakmook; Ombao, Hernando; Fonnesbeck, Christopher; Ding, Zhaohua; Morgan, Victoria L.

    2017-01-01

    DTI that could potentially enhance estimation of resting-state functional connectivity (FC) between brain regions. To overcome this limitation, we develop a Bayesian hierarchical spatiotemporal model that incorporates structural connectivity (SC

  7. Aerofoil broadband and tonal noise modelling using stochastic sound sources and incorporated large scale fluctuations

    Science.gov (United States)

    Proskurov, S.; Darbyshire, O. R.; Karabasov, S. A.

    2017-12-01

    The present work discusses modifications to the stochastic Fast Random Particle Mesh (FRPM) method featuring both tonal and broadband noise sources. The technique relies on the combination of incorporated vortex-shedding resolved flow available from Unsteady Reynolds-Averaged Navier-Stokes (URANS) simulation with the fine-scale turbulence FRPM solution generated via the stochastic velocity fluctuations in the context of vortex sound theory. In contrast to the existing literature, our method encompasses a unified treatment for broadband and tonal acoustic noise sources at the source level, thus, accounting for linear source interference as well as possible non-linear source interaction effects. When sound sources are determined, for the sound propagation, Acoustic Perturbation Equations (APE-4) are solved in the time-domain. Results of the method's application for two aerofoil benchmark cases, with both sharp and blunt trailing edges are presented. In each case, the importance of individual linear and non-linear noise sources was investigated. Several new key features related to the unsteady implementation of the method were tested and brought into the equation. Encouraging results have been obtained for benchmark test cases using the new technique which is believed to be potentially applicable to other airframe noise problems where both tonal and broadband parts are important.

  8. Towards a Predictive Thermodynamic Model of Oxidation States of Uranium Incorporated in Fe (hydr) oxides

    Energy Technology Data Exchange (ETDEWEB)

    Bagus, Paul S. [Univ. of North Texas, Denton, TX (United States)

    2013-01-01

    The theoretical research in this project has been directed toward the interpretation of core-level spectroscopies for systems relevant to the project. For the initial efforts, the focus of our theoretical simulations has been the interpretation of laboratory and synchrotron X-Ray Photoemission Spectra, XPS. In more recent efforts, an increasing emphasis has been placed on developing transparent understandings of X-Ray Adsorption Spectra, XAS . For the XAS, the principal concern is for the near-edge features, either just below or just above, an ionization limit or edge, which are described as Near-Edge X-Ray Adsorption Fine Structure, NEXAFS. In particular, a priority has involved the analysis and interpretation of XPS and NEXAFS spectra, especially of Fe and U systems, as measured by our PNNL collaborators. The overall objective of our theoretical studies is to establish connections between features of the spectra and their origin in the electronic structure of the materials. The efforts for the analysis of XPS have been reviewed in a paper by the PI, C. J. Nelin, and E. S. Ilton from PNNL on “The interpretation of XPS spectra: Insights into materials properties”, Surf. Sci. Reports, 68, 273 (2013). Two materials properties of special interest have been the degree of ionicity and the character of the covalent bonding in a range of oxides formed with transition metal, lanthanide, and actinide cations. Since the systems treated have electrons in open shells, it has been necessary to determine the energetics and the character of the angular momentum coupling of the open shell electrons. In particular, we have established methods for the treatment of the “intermediate coupling” which arises when the system is between the limit of Russell-Saunders multiplets, and the limit of j-j coupling where the spin-orbit splittings of single electrons dominate. A recent paper by the PI, and M. J. Sassi, and K. M. Rosso, (both at PNNL) “Intermediate Coupling For Core

  9. Incorporating technology buying behaviour into UK-based long term domestic stock energy models to provide improved policy analysis

    International Nuclear Information System (INIS)

    Lee, Timothy; Yao, Runming

    2013-01-01

    The UK has a target for an 80% reduction in CO 2 emissions by 2050 from a 1990 base. Domestic energy use accounts for around 30% of total emissions. This paper presents a comprehensive review of existing models and modelling techniques and indicates how they might be improved by considering individual buying behaviour. Macro (top-down) and micro (bottom-up) models have been reviewed and analysed. It is found that bottom-up models can project technology diffusion due to their higher resolution. The weakness of existing bottom-up models at capturing individual green technology buying behaviour has been identified. Consequently, Markov chains, neural networks and agent-based modelling are proposed as possible methods to incorporate buying behaviour within a domestic energy forecast model. Among the three methods, agent-based models are found to be the most promising, although a successful agent approach requires large amounts of input data. A prototype agent-based model has been developed and tested, which demonstrates the feasibility of an agent approach. This model shows that an agent-based approach is promising as a means to predict the effectiveness of various policy measures. - Highlights: ► Long term energy models are reviewed with a focus on UK domestic stock models. ► Existing models are found weak in modelling green technology buying behaviour. ► Agent models, Markov chains and neural networks are considered as solutions. ► Agent-based modelling (ABM) is found to be the most promising approach. ► A prototype ABM is developed and testing indicates a lot of potential.

  10. Using expert knowledge to incorporate uncertainty in cause-of-death assignments for modeling of cause-specific mortality

    Science.gov (United States)

    Walsh, Daniel P.; Norton, Andrew S.; Storm, Daniel J.; Van Deelen, Timothy R.; Heisy, Dennis M.

    2018-01-01

    Implicit and explicit use of expert knowledge to inform ecological analyses is becoming increasingly common because it often represents the sole source of information in many circumstances. Thus, there is a need to develop statistical methods that explicitly incorporate expert knowledge, and can successfully leverage this information while properly accounting for associated uncertainty during analysis. Studies of cause-specific mortality provide an example of implicit use of expert knowledge when causes-of-death are uncertain and assigned based on the observer's knowledge of the most likely cause. To explicitly incorporate this use of expert knowledge and the associated uncertainty, we developed a statistical model for estimating cause-specific mortality using a data augmentation approach within a Bayesian hierarchical framework. Specifically, for each mortality event, we elicited the observer's belief of cause-of-death by having them specify the probability that the death was due to each potential cause. These probabilities were then used as prior predictive values within our framework. This hierarchical framework permitted a simple and rigorous estimation method that was easily modified to include covariate effects and regularizing terms. Although applied to survival analysis, this method can be extended to any event-time analysis with multiple event types, for which there is uncertainty regarding the true outcome. We conducted simulations to determine how our framework compared to traditional approaches that use expert knowledge implicitly and assume that cause-of-death is specified accurately. Simulation results supported the inclusion of observer uncertainty in cause-of-death assignment in modeling of cause-specific mortality to improve model performance and inference. Finally, we applied the statistical model we developed and a traditional method to cause-specific survival data for white-tailed deer, and compared results. We demonstrate that model selection

  11. Incorporating NDVI in a gravity model setting to describe spatio-temporal patterns of Lyme borreliosis incidence

    Science.gov (United States)

    Barrios, J. M.; Verstraeten, W. W.; Farifteh, J.; Maes, P.; Aerts, J. M.; Coppin, P.

    2012-04-01

    Lyme borreliosis (LB) is the most common tick-borne disease in Europe and incidence growth has been reported in several European countries during the last decade. LB is caused by the bacterium Borrelia burgdorferi and the main vector of this pathogen in Europe is the tick Ixodes ricinus. LB incidence and spatial spread is greatly dependent on environmental conditions impacting habitat, demography and trophic interactions of ticks and the wide range of organisms ticks parasite. The landscape configuration is also a major determinant of tick habitat conditions and -very important- of the fashion and intensity of human interaction with vegetated areas, i.e. human exposure to the pathogen. Hence, spatial notions as distance and adjacency between urban and vegetated environments are related to human exposure to tick bites and, thus, to risk. This work tested the adequacy of a gravity model setting to model the observed spatio-temporal pattern of LB as a function of location and size of urban and vegetated areas and the seasonal and annual change in the vegetation dynamics as expressed by MODIS NDVI. Opting for this approach implies an analogy with Newton's law of universal gravitation in which the attraction forces between two bodies are directly proportional to the bodies mass and inversely proportional to distance. Similar implementations have proven useful in fields like trade modeling, health care service planning, disease mapping among other. In our implementation, the size of human settlements and vegetated systems and the distance separating these landscape elements are considered the 'bodies'; and the 'attraction' between them is an indicator of exposure to pathogen. A novel element of this implementation is the incorporation of NDVI to account for the seasonal and annual variation in risk. The importance of incorporating this indicator of vegetation activity resides in the fact that alterations of LB incidence pattern observed the last decade have been ascribed

  12. Incorporation of Islamic Institutions into Political Structure of the Golden Horde and post-Golden Horde States »

    Directory of Open Access Journals (Sweden)

    Roman Pochekaev

    2016-01-01

    Full Text Available The article is dedicated to basic directions and mechanisms of incorporation of Islamic administrative and legal institutions into the Jochid Ulus. As this state included regions with well developed Islamic traditions, individual manifestations of influence of Islam on political and legal realities of the Golden Horde took place since the first stage of existing of this state. However, only after official conversion of the Jochid ulus to Islam during the reign of Uzbek Khan (in the 1320s Islamic political and juridical institutions became an integral part of state and legal structure of the Golden Horde. Their role substantially increased in the time of crisis of imperial state and legal system after disintegration of the Mongol Empire and then of its successors, the Chinggisid states. Influence of Islamic institutions on political and legal relations of the Golden Horde and post-Golden Horde states became apparent in different aspects. At first, it was participation of representatives of Islamic administration in executive power including tax collection: such functions of them are confirmed by yarliks of khans of the Golden Horde, as well as of the Crimean and Kazan khanates. Secondly, Islamic judges, the qadis were integrated into court system of the Golden Horde and later, within the post-Golden Horde states, they even ousted imperial judges, the jarguchis. Third, powerful representatives of Islamic clergy became participants of qurultays, where the khans were elected, and the ceremony of enthronement was supplemented by the oath of a new khan on Koran under their influence. At last, Islamic clergymen participated actively in diplomatic activity of the post-Golden Horde states and acted as mediators between rivals who pretended for the throne in the Jochid states. No doubts, the rise of influence of Islam and Islamic clergy in political and legal life of the later Golden Horde and post-Golden Horde states could be explained, from one side, by

  13. On Rationality of Decision Models Incorporating Emotion-Related Valuing and Hebbian Learning

    NARCIS (Netherlands)

    Treur, J.; Umair, M.

    2011-01-01

    In this paper an adaptive decision model based on predictive loops through feeling states is analysed from the perspective of rationality. Four different variations of Hebbian learning are considered for different types of connections in the decision model. To assess the extent of rationality, a

  14. Approaches to incorporating climate change effects in state and transition simulation models of vegetation

    Science.gov (United States)

    Becky K. Kerns; Miles A. Hemstrom; David Conklin; Gabriel I. Yospin; Bart Johnson; Dominique Bachelet; Scott Bridgham

    2012-01-01

    Understanding landscape vegetation dynamics often involves the use of scientifically-based modeling tools that are capable of testing alternative management scenarios given complex ecological, management, and social conditions. State-and-transition simulation model (STSM) frameworks and software such as PATH and VDDT are commonly used tools that simulate how landscapes...

  15. Incorporating additional tree and environmental variables in a lodgepole pine stem profile model

    Science.gov (United States)

    John C. Byrne

    1993-01-01

    A new variable-form segmented stem profile model is developed for lodgepole pine (Pinus contorta) trees from the northern Rocky Mountains of the United States. I improved estimates of stem diameter by predicting two of the model coefficients with linear equations using a measure of tree form, defined as a ratio of dbh and total height. Additional improvements were...

  16. Mathematical Modelling in the Junior Secondary Years: An Approach Incorporating Mathematical Technology

    Science.gov (United States)

    Lowe, James; Carter, Merilyn; Cooper, Tom

    2018-01-01

    Mathematical models are conceptual processes that use mathematics to describe, explain, and/or predict the behaviour of complex systems. This article is written for teachers of mathematics in the junior secondary years (including out-of-field teachers of mathematics) who may be unfamiliar with mathematical modelling, to explain the steps involved…

  17. Incorporating Response Times in Item Response Theory Models of Reading Comprehension Fluency

    Science.gov (United States)

    Su, Shiyang

    2017-01-01

    With the online assessment becoming mainstream and the recording of response times becoming straightforward, the importance of response times as a measure of psychological constructs has been recognized and the literature of modeling times has been growing during the last few decades. Previous studies have tried to formulate models and theories to…

  18. Incorporating Video Modeling into a School-Based Intervention for Students with Autism Spectrum Disorders

    Science.gov (United States)

    Wilson, Kaitlyn P.

    2013-01-01

    Purpose: Video modeling is an intervention strategy that has been shown to be effective in improving the social and communication skills of students with autism spectrum disorders, or ASDs. The purpose of this tutorial is to outline empirically supported, step-by-step instructions for the use of video modeling by school-based speech-language…

  19. LINKING MICROBES TO CLIMATE: INCORPORATING MICROBIAL ACTIVITY INTO CLIMATE MODELS COLLOQUIUM

    Energy Technology Data Exchange (ETDEWEB)

    DeLong, Edward; Harwood, Caroline; Reid, Ann

    2011-01-01

    This report explains the connection between microbes and climate, discusses in general terms what modeling is and how it applied to climate, and discusses the need for knowledge in microbial physiology, evolution, and ecology to contribute to the determination of fluxes and rates in climate models. It recommends with a multi-pronged approach to address the gaps.

  20. A Transient 3D-CFD Model Incorporating Biological Processes for Use in Tissue Engineering

    DEFF Research Database (Denmark)

    Krühne, Ulrich; Wendt, D.; Martin, I.

    2010-01-01

    after 2, 8 and 13 days. The development of the cells is compared to the simulated growth of cells and it is attempted to draw a conclusion about the impact of the shear stress on the cell growth. Keyword: Computational fluid dynamics (CFD),Micro pores,Scaffold,Bioreactor,Fluid structure interaction,Tissue...... engineering...

  1. Modeling protein structures: construction and their applications.

    Science.gov (United States)

    Ring, C S; Cohen, F E

    1993-06-01

    Although no general solution to the protein folding problem exists, the three-dimensional structures of proteins are being successfully predicted when experimentally derived constraints are used in conjunction with heuristic methods. In the case of interleukin-4, mutagenesis data and CD spectroscopy were instrumental in the accurate assignment of secondary structure. In addition, the tertiary structure was highly constrained by six cysteines separated by many residues that formed three disulfide bridges. Although the correct structure was a member of a short list of plausible structures, the "best" structure was the topological enantiomer of the experimentally determined conformation. For many proteases, other experimentally derived structures can be used as templates to identify the secondary structure elements. In a procedure called modeling by homology, the structure of a known protein is used as a scaffold to predict the structure of another related protein. This method has been used to model a serine and a cysteine protease that are important in the schistosome and malarial life cycles, respectively. The model structures were then used to identify putative small molecule enzyme inhibitors computationally. Experiments confirm that some of these nonpeptidic compounds are active at concentrations of less than 10 microM.

  2. A model for arsenic anti-site incorporation in GaAs grown by hydride vapor phase epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Schulte, K. L.; Kuech, T. F. [Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States)

    2014-12-28

    GaAs growth by hydride vapor phase epitaxy (HVPE) has regained interest as a potential route to low cost, high efficiency thin film photovoltaics. In order to attain the highest efficiencies, deep level defect incorporation in these materials must be understood and controlled. The arsenic anti-site defect, As{sub Ga} or EL2, is the predominant deep level defect in HVPE-grown GaAs. In the present study, the relationships between HVPE growth conditions and incorporation of EL2 in GaAs epilayers were determined. Epitaxial n-GaAs layers were grown under a wide range of deposition temperatures (T{sub D}) and gallium chloride partial pressures (P{sub GaCl}), and the EL2 concentration, [EL2], was determined by deep level transient spectroscopy. [EL2] agreed with equilibrium thermodynamic predictions in layers grown under conditions in which the growth rate, R{sub G}, was controlled by conditions near thermodynamic equilibrium. [EL2] fell below equilibrium levels when R{sub G} was controlled by surface kinetic processes, with the disparity increasing as R{sub G} decreased. The surface chemical composition during growth was determined to have a strong influence on EL2 incorporation. Under thermodynamically limited growth conditions, e.g., high T{sub D} and/or low P{sub GaCl}, the surface vacancy concentration was high and the bulk crystal was close to equilibrium with the vapor phase. Under kinetically limited growth conditions, e.g., low T{sub D} and/or high P{sub GaCl}, the surface attained a high GaCl coverage, blocking As adsorption. This competitive adsorption process reduced the growth rate and also limited the amount of arsenic that incorporated as As{sub Ga}. A defect incorporation model which accounted for the surface concentration of arsenic as a function of the growth conditions, was developed. This model was used to identify optimal growth parameters for the growth of thin films for photovoltaics, conditions in which a high growth rate and low [EL2] could be

  3. A first course in structural equation modeling

    CERN Document Server

    Raykov, Tenko

    2012-01-01

    In this book, authors Tenko Raykov and George A. Marcoulides introduce students to the basics of structural equation modeling (SEM) through a conceptual, nonmathematical approach. For ease of understanding, the few mathematical formulas presented are used in a conceptual or illustrative nature, rather than a computational one.Featuring examples from EQS, LISREL, and Mplus, A First Course in Structural Equation Modeling is an excellent beginner's guide to learning how to set up input files to fit the most commonly used types of structural equation models with these programs. The basic ideas and methods for conducting SEM are independent of any particular software.Highlights of the Second Edition include: Review of latent change (growth) analysis models at an introductory level Coverage of the popular Mplus program Updated examples of LISREL and EQS A CD that contains all of the text's LISREL, EQS, and Mplus examples.A First Course in Structural Equation Modeling is intended as an introductory book for students...

  4. Capital Structure: Target Adjustment Model and a Mediation Moderation Model with Capital Structure as Mediator

    OpenAIRE

    Abedmajid, Mohammed

    2015-01-01

    This study consists of two models. Model one is conducted to check if there is a target adjustment toward optimal capital structure, in the context of Turkish firm listed on the stock market, over the period 2003-2014. Model 2 captures the interaction between firm size, profitability, market value and capital structure using the moderation mediation model. The results of model 1 have shown that there is a partial adjustment of the capital structure to reach target levels. The results of...

  5. Modeling of soil-water-structure interaction

    DEFF Research Database (Denmark)

    Tang, Tian

    as the developed nonlinear soil displacements and stresses under monotonic and cyclic loading. With the FVM nonlinear coupled soil models as a basis, multiphysics modeling of wave-seabed-structure interaction is carried out. The computations are done in an open source code environment, OpenFOAM, where FVM models...

  6. Multiplicity Control in Structural Equation Modeling

    Science.gov (United States)

    Cribbie, Robert A.

    2007-01-01

    Researchers conducting structural equation modeling analyses rarely, if ever, control for the inflated probability of Type I errors when evaluating the statistical significance of multiple parameters in a model. In this study, the Type I error control, power and true model rates of famsilywise and false discovery rate controlling procedures were…

  7. Model techniques for testing heated concrete structures

    International Nuclear Information System (INIS)

    Stefanou, G.D.

    1983-01-01

    Experimental techniques are described which may be used in the laboratory to measure strains of model concrete structures representing to scale actual structures of any shape or geometry, operating at elevated temperatures, for which time-dependent creep and shrinkage strains are dominant. These strains could be used to assess the distribution of stress in the scaled structure and hence to predict the actual behaviour of concrete structures used in nuclear power stations. Similar techniques have been employed in an investigation to measure elastic, thermal, creep and shrinkage strains in heated concrete models representing to scale parts of prestressed concrete pressure vessels for nuclear reactors. (author)

  8. A LabVIEW model incorporating an open-loop arterial impedance and a closed-loop circulatory system.

    Science.gov (United States)

    Cole, R T; Lucas, C L; Cascio, W E; Johnson, T A

    2005-11-01

    While numerous computer models exist for the circulatory system, many are limited in scope, contain unwanted features or incorporate complex components specific to unique experimental situations. Our purpose was to develop a basic, yet multifaceted, computer model of the left heart and systemic circulation in LabVIEW having universal appeal without sacrificing crucial physiologic features. The program we developed employs Windkessel-type impedance models in several open-loop configurations and a closed-loop model coupling a lumped impedance and ventricular pressure source. The open-loop impedance models demonstrate afterload effects on arbitrary aortic pressure/flow inputs. The closed-loop model catalogs the major circulatory waveforms with changes in afterload, preload, and left heart properties. Our model provides an avenue for expanding the use of the ventricular equations through closed-loop coupling that includes a basic coronary circuit. Tested values used for the afterload components and the effects of afterload parameter changes on various waveforms are consistent with published data. We conclude that this model offers the ability to alter several circulatory factors and digitally catalog the most salient features of the pressure/flow waveforms employing a user-friendly platform. These features make the model a useful instructional tool for students as well as a simple experimental tool for cardiovascular research.

  9. Intelligent-based Structural Damage Detection Model

    International Nuclear Information System (INIS)

    Lee, Eric Wai Ming; Yu, K.F.

    2010-01-01

    This paper presents the application of a novel Artificial Neural Network (ANN) model for the diagnosis of structural damage. The ANN model, denoted as the GRNNFA, is a hybrid model combining the General Regression Neural Network Model (GRNN) and the Fuzzy ART (FA) model. It not only retains the important features of the GRNN and FA models (i.e. fast and stable network training and incremental growth of network structure) but also facilitates the removal of the noise embedded in the training samples. Structural damage alters the stiffness distribution of the structure and so as to change the natural frequencies and mode shapes of the system. The measured modal parameter changes due to a particular damage are treated as patterns for that damage. The proposed GRNNFA model was trained to learn those patterns in order to detect the possible damage location of the structure. Simulated data is employed to verify and illustrate the procedures of the proposed ANN-based damage diagnosis methodology. The results of this study have demonstrated the feasibility of applying the GRNNFA model to structural damage diagnosis even when the training samples were noise contaminated.

  10. Intelligent-based Structural Damage Detection Model

    Science.gov (United States)

    Lee, Eric Wai Ming; Yu, Kin Fung

    2010-05-01

    This paper presents the application of a novel Artificial Neural Network (ANN) model for the diagnosis of structural damage. The ANN model, denoted as the GRNNFA, is a hybrid model combining the General Regression Neural Network Model (GRNN) and the Fuzzy ART (FA) model. It not only retains the important features of the GRNN and FA models (i.e. fast and stable network training and incremental growth of network structure) but also facilitates the removal of the noise embedded in the training samples. Structural damage alters the stiffness distribution of the structure and so as to change the natural frequencies and mode shapes of the system. The measured modal parameter changes due to a particular damage are treated as patterns for that damage. The proposed GRNNFA model was trained to learn those patterns in order to detect the possible damage location of the structure. Simulated data is employed to verify and illustrate the procedures of the proposed ANN-based damage diagnosis methodology. The results of this study have demonstrated the feasibility of applying the GRNNFA model to structural damage diagnosis even when the training samples were noise contaminated.

  11. Incorporating Daily Flood Control Objectives Into a Monthly Stochastic Dynamic Programing Model for a Hydroelectric Complex

    Science.gov (United States)

    Druce, Donald J.

    1990-01-01

    A monthly stochastic dynamic programing model was recently developed and implemented at British Columbia (B.C.) Hydro to provide decision support for short-term energy exports and, if necessary, for flood control on the Peace River in northern British Columbia. The model establishes the marginal cost of supplying energy from the B.C. Hydro system, as well as a monthly operating policy for the G.M. Shrum and Peace Canyon hydroelectric plants and the Williston Lake storage reservoir. A simulation model capable of following the operating policy then determines the probability of refilling Williston Lake and possible spill rates and volumes. Reservoir inflows are input to both models in daily and monthly formats. The results indicate that flood control can be accommodated without sacrificing significant export revenue.

  12. Incorporating daily flood control objectives into a monthly stochastic dynamic programming model for a hydroelectric complex

    Energy Technology Data Exchange (ETDEWEB)

    Druce, D.J. (British Columbia Hydro and Power Authority, Vancouver, British Columbia (Canada))

    1990-01-01

    A monthly stochastic dynamic programing model was recently developed and implemented at British Columbia (B.C.) Hydro to provide decision support for short-term energy exports and, if necessary, for flood control on the Peace River in northern British Columbia. The model established the marginal cost of supplying energy from the B.C. Hydro system, as well as a monthly operating policy for the G.M. Shrum and Peace Canyon hydroelectric plants and the Williston Lake storage reservoir. A simulation model capable of following the operating policy then determines the probability of refilling Williston Lake and possible spill rates and volumes. Reservoir inflows are input to both models in daily and monthly formats. The results indicate that flood control can be accommodated without sacrificing significant export revenue.

  13. Incorporating Pass-Phrase Dependent Background Models for Text-Dependent Speaker verification

    DEFF Research Database (Denmark)

    Sarkar, Achintya Kumar; Tan, Zheng-Hua

    2018-01-01

    -dependent. We show that the proposed method significantly reduces the error rates of text-dependent speaker verification for the non-target types: target-wrong and impostor-wrong while it maintains comparable TD-SV performance when impostors speak a correct utterance with respect to the conventional system......In this paper, we propose pass-phrase dependent background models (PBMs) for text-dependent (TD) speaker verification (SV) to integrate the pass-phrase identification process into the conventional TD-SV system, where a PBM is derived from a text-independent background model through adaptation using...... the utterances of a particular pass-phrase. During training, pass-phrase specific target speaker models are derived from the particular PBM using the training data for the respective target model. While testing, the best PBM is first selected for the test utterance in the maximum likelihood (ML) sense...

  14. Incorporation of sedimentological data into a calibrated groundwater flow and transport model

    International Nuclear Information System (INIS)

    Williams, N.J.; Young, S.C.; Barton, D.H.; Hurst, B.T.

    1997-01-01

    Analysis suggests that a high hydraulic conductivity (K) zone is associated with a former river channel at the Portsmouth Gaseous Diffusion Plant (PORTS). A two-dimensional (2-D) and three-dimensional (3-D) groundwater flow model was developed base on a sedimentological model to demonstrate the performance of a horizontal well for plume capture. The model produced a flow field with magnitudes and directions consistent with flow paths inferred from historical trichloroethylene (TCE) plume data. The most dominant feature affecting the well's performance was preferential high- and low-K zones. Based on results from the calibrated flow and transport model, a passive groundwater collection system was designed and built. Initial flow rates and concentrations measured from a gravity-drained horizontal well agree closely to predicted values

  15. Improving the phenotype predictions of a yeast genome-scale metabolic model by incorporating enzymatic constraints

    DEFF Research Database (Denmark)

    Sanchez, Benjamin J.; Zhang, Xi-Cheng; Nilsson, Avlant

    2017-01-01

    , which act as limitations on metabolic fluxes, are not taken into account. Here, we present GECKO, a method that enhances a GEM to account for enzymes as part of reactions, thereby ensuring that each metabolic flux does not exceed its maximum capacity, equal to the product of the enzyme's abundance...... and turnover number. We applied GECKO to a Saccharomyces cerevisiae GEM and demonstrated that the new model could correctly describe phenotypes that the previous model could not, particularly under high enzymatic pressure conditions, such as yeast growing on different carbon sources in excess, coping...... with stress, or overexpressing a specific pathway. GECKO also allows to directly integrate quantitative proteomics data; by doing so, we significantly reduced flux variability of the model, in over 60% of metabolic reactions. Additionally, the model gives insight into the distribution of enzyme usage between...

  16. Radmap: ''as-built'' cad models incorporating geometrical, radiological and material information

    International Nuclear Information System (INIS)

    Piotrowski, L.; Lubawy, J.L.

    2001-01-01

    EDF intends to achieve successful and cost-effective dismantling of its obsolete nuclear plants. To reach this goal, EDF is currently extending its ''as-built'' 3-D modelling system to also include the location and characteristics of gamma sources in the geometrical models of its nuclear installations. The resulting system (called RADMAP) is a complete CAD chain covering 3-D and gamma data acquisitions, CAD modelling and exploitation of the final model. Its aim is to describe completely the geometrical and radiological state of a particular nuclear environment. This paper presents an overall view of RADMAP. The technical and functional characteristics of each element of the chain are indicated and illustrated using real (EDF) environments/applications. (author)

  17. Incorporation of the time aspect into the liability-threshold model for case-control-family data

    DEFF Research Database (Denmark)

    Cederkvist, Luise; Holst, Klaus K.; Andersen, Klaus K.

    2017-01-01

    to estimates that are difficult to interpret and are potentially biased. We incorporate the time aspect into the liability-threshold model for case-control-family data following the same approach that has been applied in the twin setting. Thus, the data are considered as arising from a competing risks setting...... approach using simulation studies and apply it in the analysis of two Danish register-based case-control-family studies: one on cancer diagnosed in childhood and adolescence, and one on early-onset breast cancer....

  18. On Optimizing H. 264/AVC Rate Control by Improving R-D Model and Incorporating HVS Characteristics

    Directory of Open Access Journals (Sweden)

    Jiang Gangyi

    2010-01-01

    Full Text Available The state-of-the-art JVT-G012 rate control algorithm of H.264 is improved from two aspects. First, the quadratic rate-distortion (R-D model is modified based on both empirical observations and theoretical analysis. Second, based on the existing physiological and psychological research findings of human vision, the rate control algorithm is optimized by incorporating the main characteristics of the human visual system (HVS such as contrast sensitivity, multichannel theory, and masking effect. Experiments are conducted, and experimental results show that the improved algorithm can simultaneously enhance the overall subjective visual quality and improve the rate control precision effectively.

  19. A qualitative comparison of fire spread models incorporating wind and slope effects

    Science.gov (United States)

    David R. Weise; Gregory S. Biging

    1997-01-01

    Wind velocity and slope are two critical variables that affect wildland fire rate of spread. The effects of these variables on rate of spread are often combined in rate-of-spread models using vector addition. The various methods used to combine wind and slope effects have seldom been validated or compared due to differences in the models or to lack of data. In this...

  20. Simulation of a severe convective storm using a numerical model with explicitly incorporated aerosols

    Science.gov (United States)

    Lompar, Miloš; Ćurić, Mladjen; Romanic, Djordje

    2017-09-01

    Despite an important role the aerosols play in all stages of cloud lifecycle, their representation in numerical weather prediction models is often rather crude. This paper investigates the effects the explicit versus implicit inclusion of aerosols in a microphysics parameterization scheme in Weather Research and Forecasting (WRF) - Advanced Research WRF (WRF-ARW) model has on cloud dynamics and microphysics. The testbed selected for this study is a severe mesoscale convective system with supercells that struck west and central parts of Serbia in the afternoon of July 21, 2014. Numerical products of two model runs, i.e. one with aerosols explicitly (WRF-AE) included and another with aerosols implicitly (WRF-AI) assumed, are compared against precipitation measurements from surface network of rain gauges, as well as against radar and satellite observations. The WRF-AE model accurately captured the transportation of dust from the north Africa over the Mediterranean and to the Balkan region. On smaller scales, both models displaced the locations of clouds situated above west and central Serbia towards southeast and under-predicted the maximum values of composite radar reflectivity. Similar to satellite images, WRF-AE shows the mesoscale convective system as a merged cluster of cumulonimbus clouds. Both models over-predicted the precipitation amounts; WRF-AE over-predictions are particularly pronounced in the zones of light rain, while WRF-AI gave larger outliers. Unlike WRF-AI, the WRF-AE approach enables the modelling of time evolution and influx of aerosols into the cloud which could be of practical importance in weather forecasting and weather modification. Several likely causes for discrepancies between models and observations are discussed and prospects for further research in this field are outlined.

  1. Debris flow analysis with a one dimensional dynamic run-out model that incorporates entrained material

    Science.gov (United States)

    Luna, Byron Quan; Remaître, Alexandre; van Asch, Theo; Malet, Jean-Philippe; van Westen, Cees

    2010-05-01

    Estimating the magnitude and the intensity of rapid landslides like debris flows is fundamental to evaluate quantitatively the hazard in a specific location. Intensity varies through the travelled course of the flow and can be described by physical features such as deposited volume, velocities, height of the flow, impact forces and pressures. Dynamic run-out models are able to characterize the distribution of the material, its intensity and define the zone where the elements will experience an impact. These models can provide valuable inputs for vulnerability and risk calculations. However, most dynamic run-out models assume a constant volume during the motion of the flow, ignoring the important role of material entrained along its path. Consequently, they neglect that the increase of volume enhances the mobility of the flow and can significantly influence the size of the potential impact area. An appropriate erosion mechanism needs to be established in the analyses of debris flows that will improve the results of dynamic modeling and consequently the quantitative evaluation of risk. The objective is to present and test a simple 1D debris flow model with a material entrainment concept based on limit equilibrium considerations and the generation of excess pore water pressure through undrained loading of the in situ bed material. The debris flow propagation model is based on a one dimensional finite difference solution of a depth-averaged form of the Navier-Stokes equations of fluid motions. The flow is treated as a laminar one phase material, which behavior is controlled by a visco-plastic Coulomb-Bingham rheology. The model parameters are evaluated and the model performance is tested on a debris flow event that occurred in 2003 in the Faucon torrent (Southern French Alps).

  2. A new mathematical model of gastrointestinal transit incorporating age- and gender-dependent physiological parameters

    International Nuclear Information System (INIS)

    Stubbs, J.B.

    1992-01-01

    As part of the revision by the International Commission on Radiological Protection (ICRP) of its report on Reference Man, an extensive review of the literature regarding anatomy and morphology of the gastrointestinal (GI) tract has been completed. Data on age- and gender-dependent GI physiology and motility may be included in the proposed ICRP report. A new mathematical model describing the transit of substances through the GI tract as well as the absorption and secretion of material in the GI tract has been developed. This mathematical description of GI tract kinetics utilizes more physiologically accurate transit processes than the mathematically simple, but nonphysiological, GI tract model that was used in ICRP Report 30. The proposed model uses a combination of zero- and first-order kinetics to describe motility. Some of the physiological parameters that the new model accounts for include sex, age, pathophysiological condition and meal phase (solid versus liquid). A computer algorithm, written in BASIC, based on this new model has been derived and results are compared to those of the ICRP-30 model

  3. Enhanced stability of car-following model upon incorporation of short-term driving memory

    Science.gov (United States)

    Liu, Da-Wei; Shi, Zhong-Ke; Ai, Wen-Huan

    2017-06-01

    Based on the full velocity difference model, a new car-following model is developed to investigate the effect of short-term driving memory on traffic flow in this paper. Short-term driving memory is introduced as the influence factor of driver's anticipation behavior. The stability condition of the newly developed model is derived and the modified Korteweg-de Vries (mKdV) equation is constructed to describe the traffic behavior near the critical point. Via numerical method, evolution of a small perturbation is investigated firstly. The results show that the improvement of this new car-following model over the previous ones lies in the fact that the new model can improve the traffic stability. Starting and breaking processes of vehicles in the signalized intersection are also investigated. The numerical simulations illustrate that the new model can successfully describe the driver's anticipation behavior, and that the efficiency and safety of the vehicles passing through the signalized intersection are improved by considering short-term driving memory.

  4. Soil Structure - A Neglected Component of Land-Surface Models

    Science.gov (United States)

    Fatichi, S.; Or, D.; Walko, R. L.; Vereecken, H.; Kollet, S. J.; Young, M.; Ghezzehei, T. A.; Hengl, T.; Agam, N.; Avissar, R.

    2017-12-01

    Soil structure is largely absent in most standard sampling and measurements and in the subsequent parameterization of soil hydraulic properties deduced from soil maps and used in Earth System Models. The apparent omission propagates into the pedotransfer functions that deduce parameters of soil hydraulic properties primarily from soil textural information. Such simple parameterization is an essential ingredient in the practical application of any land surface model. Despite the critical role of soil structure (biopores formed by decaying roots, aggregates, etc.) in defining soil hydraulic functions, only a few studies have attempted to incorporate soil structure into models. They mostly looked at the effects on preferential flow and solute transport pathways at the soil profile scale; yet, the role of soil structure in mediating large-scale fluxes remains understudied. Here, we focus on rectifying this gap and demonstrating potential impacts on surface and subsurface fluxes and system wide eco-hydrologic responses. The study proposes a systematic way for correcting the soil water retention and hydraulic conductivity functions—accounting for soil-structure—with major implications for near saturated hydraulic conductivity. Modification to the basic soil hydraulic parameterization is assumed as a function of biological activity summarized by Gross Primary Production. A land-surface model with dynamic vegetation is used to carry out numerical simulations with and without the role of soil-structure for 20 locations characterized by different climates and biomes across the globe. Including soil structure affects considerably the partition between infiltration and runoff and consequently leakage at the base of the soil profile (recharge). In several locations characterized by wet climates, a few hundreds of mm per year of surface runoff become deep-recharge accounting for soil-structure. Changes in energy fluxes, total evapotranspiration and vegetation productivity

  5. A model for determination of human foetus irradiation during intrauterine development when the mother incorporates iodine 131

    International Nuclear Information System (INIS)

    Vasilev, V.; Doncheva, B.

    1989-01-01

    A model is presented for irradiation calculation of human foetus during weeks 8-15 of the intrauterine development, when the mother chronically incorporates iodine 131. This period is critical for the nervous system of the foetus. Compared to some other author's models, the method proposed eliminates some uncertainties and takes into account the changes in the activity of mother's thyroid in time. The model is built on the base of data from 131 I-kinetics of pregnant women and experimental mice. A formula is proposed for total foetus irradiation calculation including: the internal γ and β irradiation; the external γ and β irradiation from the mother as a whole; and the external γ irradiation from the mother's thyroid

  6. Structural classification and a binary structure model for superconductors

    Institute of Scientific and Technical Information of China (English)

    Dong Cheng

    2006-01-01

    Based on structural and bonding features, a new classification scheme of superconductors is proposed to classify conductors can be partitioned into two parts, a superconducting active component and a supplementary component.Partially metallic covalent bonding is found to be a common feature in all superconducting active components, and the electron states of the atoms in the active components usually make a dominant contribution to the energy band near the Fermi surface. Possible directions to explore new superconductors are discussed based on the structural classification and the binary structure model.

  7. A Hydrogel Model Incorporating 3D-Plotted Hydroxyapatite for Osteochondral Tissue Engineering

    Directory of Open Access Journals (Sweden)

    Michal Bartnikowski

    2016-04-01

    Full Text Available The concept of biphasic or multi-layered compound scaffolds has been explored within numerous studies in the context of cartilage and osteochondral regeneration. To date, no system has been identified that stands out in terms of superior chondrogenesis, osteogenesis or the formation of a zone of calcified cartilage (ZCC. Herein we present a 3D plotted scaffold, comprising an alginate and hydroxyapatite paste, cast within a photocrosslinkable hydrogel made of gelatin methacrylamide (GelMA, or GelMA with hyaluronic acid methacrylate (HAMA. We hypothesized that this combination of 3D plotting and hydrogel crosslinking would form a high fidelity, cell supporting structure that would allow localization of hydroxyapatite to the deepest regions of the structure whilst taking advantage of hydrogel photocrosslinking. We assessed this preliminary design in terms of chondrogenesis in culture with human articular chondrocytes, and verified whether the inclusion of hydroxyapatite in the form presented had any influence on the formation of the ZCC. Whilst the inclusion of HAMA resulted in a better chondrogenic outcome, the effect of HAP was limited. We overall demonstrated that formation of such compound structures is possible, providing a foundation for future work. The development of cohesive biphasic systems is highly relevant for current and future cartilage tissue engineering.

  8. Automated Protein Structure Modeling with SWISS-MODEL Workspace and the Protein Model Portal

    OpenAIRE

    Bordoli, Lorenza; Schwede, Torsten

    2012-01-01

    Comparative protein structure modeling is a computational approach to build three-dimensional structural models for proteins using experimental structures of related protein family members as templates. Regular blind assessments of modeling accuracy have demonstrated that comparative protein structure modeling is currently the most reliable technique to model protein structures. Homology models are often sufficiently accurate to substitute for experimental structures in a wide variety of appl...

  9. Pulsatile drug delivery to ileo-colonic segments by structured incorporation of disintegrants in pH-responsive polymer coatings

    NARCIS (Netherlands)

    Schellekens, R.C.A.; Stellaard, F.; Mitrovic, D.; Stuurman, F.E.; Kosterink, J.G.W.; Frijlink, H.W.

    2008-01-01

    Conventional pH-responsive coatings used for oral drug delivery to the lower parts of the gastro-intestinal tract often show a poor performance. A new system for site-specific pulsatile delivery in the ileo-colonic regions is described. The system is based on the non-percolating incorporation of

  10. A kinematic wave model in Lagrangian coordinates incorporating capacity drop: Application to homogeneous road stretches and discontinuities

    Science.gov (United States)

    Yuan, Kai; Knoop, Victor L.; Hoogendoorn, Serge P.

    2017-01-01

    On freeways, congestion always leads to capacity drop. This means the queue discharge rate is lower than the pre-queue capacity. Our recent research findings indicate that the queue discharge rate increases with the speed in congestion, that is the capacity drop is strongly correlated with the congestion state. Incorporating this varying capacity drop into a kinematic wave model is essential for assessing consequences of control strategies. However, to the best of authors' knowledge, no such a model exists. This paper fills the research gap by presenting a Lagrangian kinematic wave model. "Lagrangian" denotes that the new model is solved in Lagrangian coordinates. The new model can give capacity drops accompanying both of stop-and-go waves (on homogeneous freeway section) and standing queues (at nodes) in a network. The new model can be applied in a network operation. In this Lagrangian kinematic wave model, the queue discharge rate (or the capacity drop) is a function of vehicular speed in traffic jams. Four case studies on links as well as at lane-drop and on-ramp nodes show that the Lagrangian kinematic wave model can give capacity drops well, consistent with empirical observations.

  11. Ultrasonically assisted drilling: A finite-element model incorporating acoustic softening effects

    International Nuclear Information System (INIS)

    Phadnis, V A; Roy, A; Silberschmidt, V V

    2013-01-01

    Ultrasonically assisted drilling (UAD) is a novel machining technique suitable for drilling in hard-to-machine quasi-brittle materials such as carbon fibre reinforced polymer composites (CFRP). UAD has been shown to possess several advantages compared to conventional drilling (CD), including reduced thrust forces, diminished burr formation at drill exit and an overall improvement in roundness and surface finish of the drilled hole. Recently, our in-house experiments of UAD in CFRP composites demonstrated remarkable reductions in thrust-force and torque measurements (average force reductions in excess of 80%) when compared to CD with the same machining parameters. In this study, a 3D finite-element model of drilling in CFRP is developed. In order to model acoustic (ultrasonic) softening effects, a phenomenological model, which accounts for ultrasonically induced plastic strain, was implemented in ABAQUS/Explicit. The model also accounts for dynamic frictional effects, which also contribute to the overall improved machining characteristics in UAD. The model is validated with experimental findings, where an excellent correlation between the reduced thrust force and torque magnitude was achieved

  12. High-resolution Continental Scale Land Surface Model incorporating Land-water Management in United States

    Science.gov (United States)

    Shin, S.; Pokhrel, Y. N.

    2016-12-01

    Land surface models have been used to assess water resources sustainability under changing Earth environment and increasing human water needs. Overwhelming observational records indicate that human activities have ubiquitous and pertinent effects on the hydrologic cycle; however, they have been crudely represented in large scale land surface models. In this study, we enhance an integrated continental-scale land hydrology model named Leaf-Hydro-Flood to better represent land-water management. The model is implemented at high resolution (5km grids) over the continental US. Surface water and groundwater are withdrawn based on actual practices. Newly added irrigation, water diversion, and dam operation schemes allow better simulations of stream flows, evapotranspiration, and infiltration. Results of various hydrologic fluxes and stores from two sets of simulation (one with and the other without human activities) are compared over a range of river basin and aquifer scales. The improved simulations of land hydrology have potential to build consistent modeling framework for human-water-climate interactions.

  13. Development of a prototype mesoscale computer model incorporating treatment of topography

    International Nuclear Information System (INIS)

    Apsimon, H.; Kitson, K.; Fawcett, M.; Goddard, A.J.H.

    1984-01-01

    Models are available for simulating dispersal of accidental releases, using mass-consistent wind-fields and accounting for site-specific topography. These techniques were examined critically to see if they might be improved, and to assess their limitations. An improved model, windfield adjusted for topography (WAFT), was developed (with advantages over MATHEW used in the Atmospheric Release Advisory Capability - ARAC system). To simulate dispersion in the windfields produced by WAFT and calculate time integrated air concentrations and dry and wet deposition the TOMCATS model was developed. It treats the release as an assembly of pseudo-particles using Monte Carlo techniques to simulate turbulent displacements. It allows for larger eddy effects in the horizontal turbulence spectrum. Wet deposition is calculated using inhomogeneous rainfields evolving in time and space. The models were assessed, applying them to hypothetical releases in complex terrain, using typical data applicable in accident conditions, and undertaking sensitivity studies. One finds considerable uncertainty in results produced by these models. Although useful for post-facto analysis, such limitations cast doubt on their advantages, relative to simpler techniques, during an actual emergency

  14. MMM: A toolbox for integrative structure modeling.

    Science.gov (United States)

    Jeschke, Gunnar

    2018-01-01

    Structural characterization of proteins and their complexes may require integration of restraints from various experimental techniques. MMM (Multiscale Modeling of Macromolecules) is a Matlab-based open-source modeling toolbox for this purpose with a particular emphasis on distance distribution restraints obtained from electron paramagnetic resonance experiments on spin-labelled proteins and nucleic acids and their combination with atomistic structures of domains or whole protomers, small-angle scattering data, secondary structure information, homology information, and elastic network models. MMM does not only integrate various types of restraints, but also various existing modeling tools by providing a common graphical user interface to them. The types of restraints that can support such modeling and the available model types are illustrated by recent application examples. © 2017 The Protein Society.

  15. Radiation fields, dosimetry, biokinetics and biophysical models for cancer induction by ionising radiation 1996-1999. Biokinetics and dosimetry of incorporated radionuclides. Final report

    International Nuclear Information System (INIS)

    Roth, P.; Aubineau-Laniece, I.; Bailly-Despiney, I.

    2000-01-01

    The final report 'Biokinetics and Dosimetry of Incorporated Radionuclides' presented here is one part of the 5 individual reports. The work to be carried out within this project is structured into four Work Packages: Workpackage 1 concentrates on ingested radionuclides, considering doses to the GI tract and radionuclide absorption. A major objective is the development of a new dosimetric model of the GI tract, taking account of most recent data on gut transit and dose to sensitive cells. Workpackage 2 seeks to improve and extend biokinetic and dosimetric models for systemic radionuclides. Existing models for adults and children will be extended to other elements and new models will be developed for the embryo and fetus. Workpackage 3 is to improve assessment of localised distribution of dose within tissues at the cellular level for specific examples of Auger emitters and alpha emitting isotopes, in relation to observed effects. The work will include experimental studies of dose/effect relationship and the development of localisation methods. Workpackage 4 concerns the development of computer codes for the new dosimetric models, quality assurance of the models and the calculation of dose coefficients. Formal sensitivity analysis will be used to identify critical areas of model development and to investigate the effects of variability and incertainty in biokinetic parameters. (orig.)

  16. Incorporating microbial dormancy dynamics into soil decomposition models to improve quantification of soil carbon dynamics of northern temperate forests

    Energy Technology Data Exchange (ETDEWEB)

    He, Yujie [Purdue Univ., West Lafayette, IN (United States). Dept. of Earth, Atmospheric, and Planetary Sciences; Yang, Jinyan [Univ. of Georgia, Athens, GA (United States). Warnell School of Forestry and Natural Resources; Northeast Forestry Univ., Harbin (China). Center for Ecological Research; Zhuang, Qianlai [Purdue Univ., West Lafayette, IN (United States). Dept. of Earth, Atmospheric, and Planetary Sciences; Purdue Univ., West Lafayette, IN (United States). Dept. of Agronomy; Harden, Jennifer W. [U.S. Geological Survey, Menlo Park, CA (United States); McGuire, Anthony D. [Alaska Cooperative Fish and Wildlife Research Unit, U.S. Geological Survey, Univ. of Alaska, Fairbanks, AK (United States). U.S. Geological Survey, Alaska Cooperative Fish and Wildlife Research Unit; Liu, Yaling [Purdue Univ., West Lafayette, IN (United States). Dept. of Earth, Atmospheric, and Planetary Sciences; Wang, Gangsheng [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Climate Change Science Inst. and Environmental Sciences Division; Gu, Lianhong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Environmental Sciences Division

    2015-11-20

    Soil carbon dynamics of terrestrial ecosystems play a significant role in the global carbon cycle. Microbial-based decomposition models have seen much growth recently for quantifying this role, yet dormancy as a common strategy used by microorganisms has not usually been represented and tested in these models against field observations. Here in this study we developed an explicit microbial-enzyme decomposition model and examined model performance with and without representation of microbial dormancy at six temperate forest sites of different forest types. We then extrapolated the model to global temperate forest ecosystems to investigate biogeochemical controls on soil heterotrophic respiration and microbial dormancy dynamics at different temporal-spatial scales. The dormancy model consistently produced better match with field-observed heterotrophic soil CO2 efflux (RH) than the no dormancy model. Our regional modeling results further indicated that models with dormancy were able to produce more realistic magnitude of microbial biomass (<2% of soil organic carbon) and soil RH (7.5 ± 2.4 PgCyr-1). Spatial correlation analysis showed that soil organic carbon content was the dominating factor (correlation coefficient = 0.4-0.6) in the simulated spatial pattern of soil RH with both models. In contrast to strong temporal and local controls of soil temperature and moisture on microbial dormancy, our modeling results showed that soil carbon-to-nitrogen ratio (C:N) was a major regulating factor at regional scales (correlation coefficient = -0.43 to -0.58), indicating scale-dependent biogeochemical controls on microbial dynamics. Our findings suggest that incorporating microbial dormancy could improve the realism of microbial-based decomposition models and enhance the integration of soil experiments and mechanistically based modeling.

  17. Incorporating microbial dormancy dynamics into soil decomposition models to improve quantification of soil carbon dynamics of northern temperate forests

    Science.gov (United States)

    He, Yujie; Yang, Jinyan; Zhuang, Qianlai; Harden, Jennifer W.; McGuire, A. David; Liu, Yaling; Wang, Gangsheng; Gu, Lianhong

    2015-01-01

    Soil carbon dynamics of terrestrial ecosystems play a significant role in the global carbon cycle. Microbial-based decomposition models have seen much growth recently for quantifying this role, yet dormancy as a common strategy used by microorganisms has not usually been represented and tested in these models against field observations. Here we developed an explicit microbial-enzyme decomposition model and examined model performance with and without representation of microbial dormancy at six temperate forest sites of different forest types. We then extrapolated the model to global temperate forest ecosystems to investigate biogeochemical controls on soil heterotrophic respiration and microbial dormancy dynamics at different temporal-spatial scales. The dormancy model consistently produced better match with field-observed heterotrophic soil CO2 efflux (RH) than the no dormancy model. Our regional modeling results further indicated that models with dormancy were able to produce more realistic magnitude of microbial biomass (analysis showed that soil organic carbon content was the dominating factor (correlation coefficient = 0.4–0.6) in the simulated spatial pattern of soil RHwith both models. In contrast to strong temporal and local controls of soil temperature and moisture on microbial dormancy, our modeling results showed that soil carbon-to-nitrogen ratio (C:N) was a major regulating factor at regional scales (correlation coefficient = −0.43 to −0.58), indicating scale-dependent biogeochemical controls on microbial dynamics. Our findings suggest that incorporating microbial dormancy could improve the realism of microbial-based decomposition models and enhance the integration of soil experiments and mechanistically based modeling.

  18. Periglacial processes incorporated into a long-term landscape evolution model

    DEFF Research Database (Denmark)

    Andersen, Jane Lund; Egholm, D.L.; Knudsen, Mads Faurschou

    Little is known about the long-term influence of periglacial processes on landscape evolution in cold areas, even though the efficiency of frost cracking on the breakdown of rocks has been documented by observations and experiments. Cold-room laboratory experiments show that a continuous water...... supply and sustained sub- zero temperatures are essential to develop fractures in porous rocks (e.g. Murton, 2006), but the cracking efficiency for harder rock types under natural conditions is less clear. However, based on experimental results for porous rocks, Hales and Roering (2007) proposed a model...... by their model and the elevation of scree deposits in the Southern Alps, New Zealand. This result suggests a link between frost-cracking efficiency and long-term landscape evolution and thus merits further investigations. Anderson et al. (2012) expanded this early model by including the effects of latent heat...

  19. Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact.

    Science.gov (United States)

    McGaughey, Georgia; Patrick Walters, W

    2017-03-01

    Molecular modelers and informaticians have the unique opportunity to integrate cross-functional data using a myriad of tools, methods and visuals to generate information. Using their drug discovery expertise, information is transformed to knowledge that impacts drug discovery. These insights are often times formulated locally and then applied more broadly, which influence the discovery of new medicines. This is particularly true in an organization where the members are exposed to projects throughout an organization, such as in the case of the global Modeling & Informatics group at Vertex Pharmaceuticals. From its inception, Vertex has been a leader in the development and use of computational methods for drug discovery. In this paper, we describe the Modeling & Informatics group at Vertex and the underlying philosophy, which has driven this team to sustain impact on the discovery of first-in-class transformative medicines.

  20. ISG hybrid powertrain: a rule-based driver model incorporating look-ahead information

    Science.gov (United States)

    Shen, Shuiwen; Zhang, Junzhi; Chen, Xiaojiang; Zhong, Qing-Chang; Thornton, Roger

    2010-03-01

    According to European regulations, if the amount of regenerative braking is determined by the travel of the brake pedal, more stringent standards must be applied, otherwise it may adversely affect the existing vehicle safety system. The use of engine or vehicle speed to derive regenerative braking is one way to avoid strict design standards, but this introduces discontinuity in powertrain torque when the driver releases the acceleration pedal or applies the brake pedal. This is shown to cause oscillations in the pedal input and powertrain torque when a conventional driver model is adopted. Look-ahead information, together with other predicted vehicle states, are adopted to control the vehicle speed, in particular, during deceleration, and to improve the driver model so that oscillations can be avoided. The improved driver model makes analysis and validation of the control strategy for an integrated starter generator (ISG) hybrid powertrain possible.

  1. The design of a wind tunnel VSTOL fighter model incorporating turbine powered engine simulators

    Science.gov (United States)

    Bailey, R. O.; Maraz, M. R.; Hiley, P. E.

    1981-01-01

    A wind-tunnel model of a supersonic VSTOL fighter aircraft configuration has been developed for use in the evaluation of airframe-propulsion system aerodynamic interactions. The model may be employed with conventional test techniques, where configuration aerodynamics are measured in a flow-through mode and incremental nozzle-airframe interactions are measured in a jet-effects mode, and with the Compact Multimission Aircraft Propulsion Simulator which is capable of the simultaneous simulation of inlet and exhaust nozzle flow fields so as to allow the evaluation of the extent of inlet and nozzle flow field coupling. The basic configuration of the twin-engine model has a geometrically close-coupled canard and wing, and a moderately short nacelle with nonaxisymmetric vectorable exhaust nozzles near the wing trailing edge, and may be converted to a canardless configuration with an extremely short nacelle. Testing is planned to begin in the summer of 1982.

  2. Effect of Rubidium Incorporation on the Structural, Electrical, and Photovoltaic Properties of Methylammonium Lead Iodide-Based Perovskite Solar Cells.

    Science.gov (United States)

    Park, Ik Jae; Seo, Seongrok; Park, Min Ah; Lee, Sangwook; Kim, Dong Hoe; Zhu, Kai; Shin, Hyunjung; Kim, Jin Young

    2017-12-06

    We report the electrical properties of rubidium-incorporated methylammonium lead iodide ((Rb x MA 1-x )PbI 3 ) films and the photovoltaic performance of (Rb x MA 1-x )PbI 3 film-based p-i-n-type perovskite solar cells (PSCs). The incorporation of a small amount of Rb + (x = 0.05) increases both the open circuit voltage (V oc ) and the short circuit photocurrent density (J sc ) of the PSCs, leading to an improved power conversion efficiency (PCE). However, a high fraction of Rb + incorporation (x = 0.1 and 0.2) decreases the J sc and thus the PCE, which is attributed to the phase segregation of the single tetragonal perovskite phase to a MA-rich tetragonal perovskite phase and a RbPbI 3 orthorhombic phase at high Rb fractions. Conductive atomic force microscopic and admittance spectroscopic analyses reveal that the single-phase (Rb 0.05 MA 0.95 )PbI 3 film has a high electrical conductivity because of a reduced deep-level trap density. We also found that Rb substitution enhances the diode characteristics of the PSC, as evidenced by the reduced reverse saturation current (J 0 ). The optimized (Rb x MA 1-x )PbI 3 PSCs exhibited a PCE of 18.8% with negligible hysteresis in the photocurrent-voltage curve. The results from this work enhance the understanding of the effect of Rb incorporation into organic-inorganic hybrid halide perovskites and enable the exploration of Rb-incorporated mixed perovskites for various applications, such as solar cells, photodetectors, and light-emitting diodes.

  3. Structural modeling for multicell composite rotor blades

    Science.gov (United States)

    Rehfield, Lawrence W.; Atilgan, Ali R.

    1987-01-01

    Composite material systems are currently good candidates for aerospace structures, primarily for the design flexibility they offer, i.e., it is possible to tailor the material and manufacturing approach to the application. A working definition of elastic or structural tailoring is the use of structural concept, fiber orientation, ply stacking sequence, and a blend of materials to achieve specific performance goals. In the design process, choices of materials and dimensions are made which produce specific response characteristics, and which permit the selected goals to be achieved. Common choices for tailoring goals are preventing instabilities or vibration resonances or enhancing damage tolerance. An essential, enabling factor in the design of tailored composite structures is structural modeling that accurately, but simply, characterizes response. The objective of this paper is to present a new multicell beam model for composite rotor blades and to validate predictions based on the new model by comparison with a finite element simulation in three benchmark static load cases.

  4. Incorporating photon recycling into the analytical drift-diffusion model of high efficiency solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Lumb, Matthew P. [The George Washington University, 2121 I Street NW, Washington, DC 20037 (United States); Naval Research Laboratory, Washington, DC 20375 (United States); Steiner, Myles A.; Geisz, John F. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Walters, Robert J. [Naval Research Laboratory, Washington, DC 20375 (United States)

    2014-11-21

    The analytical drift-diffusion formalism is able to accurately simulate a wide range of solar cell architectures and was recently extended to include those with back surface reflectors. However, as solar cells approach the limits of material quality, photon recycling effects become increasingly important in predicting the behavior of these cells. In particular, the minority carrier diffusion length is significantly affected by the photon recycling, with consequences for the solar cell performance. In this paper, we outline an approach to account for photon recycling in the analytical Hovel model and compare analytical model predictions to GaAs-based experimental devices operating close to the fundamental efficiency limit.

  5. Observations and Modeling of Atmospheric Radiance Structure

    National Research Council Canada - National Science Library

    Wintersteiner, Peter

    2001-01-01

    The overall purpose of the work that we have undertaken is to provide new capabilities for observing and modeling structured radiance in the atmosphere, particularly the non-LTE regions of the atmosphere...

  6. Experimental validation of a Monte Carlo proton therapy nozzle model incorporating magnetically steered protons

    International Nuclear Information System (INIS)

    Peterson, S W; Polf, J; Archambault, L; Beddar, S; Bues, M; Ciangaru, G; Smith, A

    2009-01-01

    The purpose of this study is to validate the accuracy of a Monte Carlo calculation model of a proton magnetic beam scanning delivery nozzle developed using the Geant4 toolkit. The Monte Carlo model was used to produce depth dose and lateral profiles, which were compared to data measured in the clinical scanning treatment nozzle at several energies. Comparisons were also made between measured and simulated off-axis profiles to test the accuracy of the model's magnetic steering. Comparison of the 80% distal dose fall-off values for the measured and simulated depth dose profiles agreed to within 1 mm for the beam energies evaluated. Agreement of the full width at half maximum values for the measured and simulated lateral fluence profiles was within 1.3 mm for all energies. The position of measured and simulated spot positions for the magnetically steered beams agreed to within 0.7 mm of each other. Based on these results, we found that the Geant4 Monte Carlo model of the beam scanning nozzle has the ability to accurately predict depth dose profiles, lateral profiles perpendicular to the beam axis and magnetic steering of a proton beam during beam scanning proton therapy.

  7. Incorporating implementation overheads in the analysis for the flexible spin-lock model

    NARCIS (Netherlands)

    Balasubramanian, S.M.N.; Afshar, S.; Gai, P.; Behnam, M.; Bril, R.J.

    2017-01-01

    The flexible spin-lock model (FSLM) unifies suspension-based and spin-based resource sharing protocols for partitioned fixed-priority preemptive scheduling based real-time multiprocessor platforms. Recent work has been done in defining the protocol for FSLM and providing a schedulability analysis

  8. Incorporating Parameter Uncertainty in Bayesian Segmentation Models: Application to Hippocampal Subfield Volumetry

    DEFF Research Database (Denmark)

    Iglesias, J. E.; Sabuncu, M. R.; Van Leemput, Koen

    2012-01-01

    Many successful segmentation algorithms are based on Bayesian models in which prior anatomical knowledge is combined with the available image information. However, these methods typically have many free parameters that are estimated to obtain point estimates only, whereas a faithful Bayesian anal...

  9. Incorporation of leaf nitrogen observations for biochemical and environmental modeling of photosynthesis and evapotranspiration

    DEFF Research Database (Denmark)

    Bøgh, E.; Gjettermann, Birgitte; Abrahamsen, Per

    2007-01-01

    . While most canopy photosynthesis models assume an exponential vertical profile of leaf N contents in the canopy, the field measurements showed that well-fertilized fields may have a uniform or exponential profile, and senescent canopies have reduced levels of N contents in upper leaves. The sensitivity...

  10. Improved Path Loss Simulation Incorporating Three-Dimensional Terrain Model Using Parallel Coprocessors

    Directory of Open Access Journals (Sweden)

    Zhang Bin Loo

    2017-01-01

    Full Text Available Current network simulators abstract out wireless propagation models due to the high computation requirements for realistic modeling. As such, there is still a large gap between the results obtained from simulators and real world scenario. In this paper, we present a framework for improved path loss simulation built on top of an existing network simulation software, NS-3. Different from the conventional disk model, the proposed simulation also considers the diffraction loss computed using Epstein and Peterson’s model through the use of actual terrain elevation data to give an accurate estimate of path loss between a transmitter and a receiver. The drawback of high computation requirements is relaxed by offloading the computationally intensive components onto an inexpensive off-the-shelf parallel coprocessor, which is a NVIDIA GPU. Experiments are performed using actual terrain elevation data provided from United States Geological Survey. As compared to the conventional CPU architecture, the experimental result shows that a speedup of 20x to 42x is achieved by exploiting the parallel processing of GPU to compute the path loss between two nodes using terrain elevation data. The result shows that the path losses between two nodes are greatly affected by the terrain profile between these two nodes. Besides this, the result also suggests that the common strategy to place the transmitter in the highest position may not always work.

  11. A quantitative model of the cardiac ventricular cell incorporating the transverse-axial tubular system

    Czech Academy of Sciences Publication Activity Database

    Pásek, Michal; Christé, G.; Šimurda, J.

    2003-01-01

    Roč. 22, č. 3 (2003), s. 355-368 ISSN 0231-5882 R&D Projects: GA ČR GP204/02/D129 Institutional research plan: CEZ:AV0Z2076919 Keywords : cardiac cell * tubular system * quantitative modelling Subject RIV: BO - Biophysics Impact factor: 0.794, year: 2003

  12. Development of a prototype mesoscale computer model incorporating treatment of topography

    International Nuclear Information System (INIS)

    Apsimon, H.M.; Goddard, A.J.H.; Kitson, K.; Fawcett, M.

    1985-01-01

    More sophisticated models are now available to simulate dispersal of accidental radioactive releases to the atmosphere; these use mass-consistent windfields and attempt allowance for site-specific topographical features. Our aim has been to examine these techniques critically, develop where possible, and assess limitations and accuracy. The resulting windfield model WAFT uses efficient numerical techniques with improved orographic resolution and treatment of meteorological conditions. Time integrated air concentrations, dry and wet deposition are derived from TOMCATS, which applies Monte-Carlo techniques to an assembly of pseudo-particles representing the release, with specific attention to the role of large eddies and evolving inhomogeneous rainfields. These models have been assessed by application to hypothetical releases in complex terrain using data which would have been available in the event of an accident, and undertaking sensitivity studies. It is concluded that there is considerable uncertainty in results produced by such models; although they may be useful in post-facto analysis, such limitations cast doubt on their advantages relative to simpler techniques, with more modest requirements, during an actual emergency. (author)

  13. Teaching for Art Criticism: Incorporating Feldman's Critical Analysis Learning Model in Students' Studio Practice

    Science.gov (United States)

    Subramaniam, Maithreyi; Hanafi, Jaffri; Putih, Abu Talib

    2016-01-01

    This study adopted 30 first year graphic design students' artwork, with critical analysis using Feldman's model of art criticism. Data were analyzed quantitatively; descriptive statistical techniques were employed. The scores were viewed in the form of mean score and frequencies to determine students' performances in their critical ability.…

  14. Incorporating stakeholder perspectives into model-based scenarios : Exploring the futures of the Dutch gas sector

    NARCIS (Netherlands)

    Eker, S.; van Daalen, C.; Thissen, W.A.H.

    2017-01-01

    Several model-based, analytical approaches have been developed recently to deal with the deep uncertainty present in situations for which futures studies are conducted. These approaches focus on covering a wide variety of scenarios and searching for robust strategies. However, they generally do

  15. A Probabilistic Model of Visual Working Memory: Incorporating Higher Order Regularities into Working Memory Capacity Estimates

    Science.gov (United States)

    Brady, Timothy F.; Tenenbaum, Joshua B.

    2013-01-01

    When remembering a real-world scene, people encode both detailed information about specific objects and higher order information like the overall gist of the scene. However, formal models of change detection, like those used to estimate visual working memory capacity, assume observers encode only a simple memory representation that includes no…

  16. Process model for ammonia volatilization from anaerobic swine lagoons incorporating varying wind speeds and biogas bubbling

    Science.gov (United States)

    Ammonia volatilization from treatment lagoons varies widely with the total ammonia concentration, pH, temperature, suspended solids, atmospheric ammonia concentration above the water surface, and wind speed. Ammonia emissions were estimated with a process-based mechanistic model integrating ammonia ...

  17. Development of a mission-based funding model for undergraduate medical education: incorporation of quality.

    Science.gov (United States)

    Stagnaro-Green, Alex; Roe, David; Soto-Greene, Maria; Joffe, Russell

    2008-01-01

    Increasing financial pressures, along with a desire to realign resources with institutional priorities, has resulted in the adoption of mission-based funding (MBF) at many medical schools. The lack of inclusion of quality and the time and expense in developing and implementing mission based funding are major deficiencies in the models reported to date. In academic year 2002-2003 New Jersey Medical School developed a model that included both quantity and quality in the education metric and that was departmentally based. Eighty percent of the undergraduate medical education allocation was based on the quantity of undergraduate medical education taught by the department ($7.35 million), and 20% ($1.89 million) was allocated based on the quality of the education delivered. Quality determinations were made by the educational leadership based on student evaluations and departmental compliance with educational administrative requirements. Evolution of the model has included the development of a faculty oversight committee and the integration of peer evaluation in the determination of educational quality. Six departments had a documented increase in quality over time, and one department had a transient decrease in quality. The MBF model has been well accepted by chairs, educational leaders, and faculty and has been instrumental in enhancing the stature of education at our institution.

  18. D1.4 -- Short Report on Models That Incorporate Non-stationary Time Variant Effects

    DEFF Research Database (Denmark)

    Lostanlen, Yves; Pedersen, Troels; Steinboeck, Gerhard

    -to-indoor environments are presented. Furthermore, the impact of human activity on the time variation of the radio channel is investigated and first simulation results are presented. Movement models, which include realistic interaction between nodes, are part of current research activities....

  19. Incorporating Solid Modeling and Team-Based Design into Freshman Engineering Graphics.

    Science.gov (United States)

    Buchal, Ralph O.

    2001-01-01

    Describes the integration of these topics through a major team-based design and computer aided design (CAD) modeling project in freshman engineering graphics at the University of Western Ontario. Involves n=250 students working in teams of four to design and document an original Lego toy. Includes 12 references. (Author/YDS)

  20. Incorporating unreliability of transit in transport demand models: theoretical and practical approach

    NARCIS (Netherlands)

    van Oort, N.; Brands, Ties; de Romph, E.; Aceves Flores, J.

    2014-01-01

    Nowadays, transport demand models do not explicitly evaluate the impacts of service reliability of transit. Service reliability of transit systems is adversely experienced by users, as it causes additional travel time and unsecure arrival times. Because of this, travelers are likely to perceive a

  1. Incorporating Lightning Flash Data into the WRF-CMAQ Modeling System: Algorithms and Evaluations

    Science.gov (United States)

    We describe the use of lightning flash data from the National Lightning Detection Network (NLDN) to constrain and improve the performance of coupled meteorology-chemistry models. We recently implemented a scheme in which lightning data is used to control the triggering of conve...

  2. Incorporating Logistics in Freight Transport Demand Models: State-of-the-Art and Research Opportunities

    NARCIS (Netherlands)

    Tavasszy, L.A.; Ruijgrok, K.; Davydenko, I.

    2012-01-01

    Freight transport demand is a demand derived from all the activities needed to move goods between locations of production to locations of consumption, including trade, logistics and transportation. A good representation of logistics in freight transport demand models allows us to predict the effects

  3. VISCOELASTIC STRUCTURAL MODEL OF ASPHALT CONCRETE

    Directory of Open Access Journals (Sweden)

    V. Bogomolov

    2016-06-01

    Full Text Available The viscoelastic rheological model of asphalt concrete based on the generalized Kelvin model is offered. The mathematical model of asphalt concrete viscoelastic behavior that can be used for calculation of asphalt concrete upper layers of non-rigid pavements for strength and rutting has been developed. It has been proved that the structural model of Burgers does not fully meet all the requirements of the asphalt-concrete.

  4. Global model structures for ∗-modules

    DEFF Research Database (Denmark)

    Böhme, Benjamin

    2018-01-01

    We extend Schwede's work on the unstable global homotopy theory of orthogonal spaces and L-spaces to the category of ∗-modules (i.e., unstable S-modules). We prove a theorem which transports model structures and their properties from L-spaces to ∗-modules and show that the resulting global model...... structure for ∗-modules is monoidally Quillen equivalent to that of orthogonal spaces. As a consequence, there are induced Quillen equivalences between the associated model categories of monoids, which identify equivalent models for the global homotopy theory of A∞-spaces....

  5. Linear causal modeling with structural equations

    CERN Document Server

    Mulaik, Stanley A

    2009-01-01

    Emphasizing causation as a functional relationship between variables that describe objects, Linear Causal Modeling with Structural Equations integrates a general philosophical theory of causation with structural equation modeling (SEM) that concerns the special case of linear causal relations. In addition to describing how the functional relation concept may be generalized to treat probabilistic causation, the book reviews historical treatments of causation and explores recent developments in experimental psychology on studies of the perception of causation. It looks at how to perceive causal

  6. Relating structure and dynamics in organisation models

    NARCIS (Netherlands)

    Jonker, C.M.; Treur, J.

    2003-01-01

    To understand how an organisational structure relates to dynamics is an interesting fundamental challenge in the area of social modelling. Specifications of organisational structure usually have a diagrammatic form that abstracts from more detailed dynamics. Dynamic properties of agent systems, on

  7. Modelling point patterns with linear structures

    DEFF Research Database (Denmark)

    Møller, Jesper; Rasmussen, Jakob Gulddahl

    2009-01-01

    processes whose realizations contain such linear structures. Such a point process is constructed sequentially by placing one point at a time. The points are placed in such a way that new points are often placed close to previously placed points, and the points form roughly line shaped structures. We...... consider simulations of this model and compare with real data....

  8. Modelling point patterns with linear structures

    DEFF Research Database (Denmark)

    Møller, Jesper; Rasmussen, Jakob Gulddahl

    processes whose realizations contain such linear structures. Such a point process is constructed sequentially by placing one point at a time. The points are placed in such a way that new points are often placed close to previously placed points, and the points form roughly line shaped structures. We...... consider simulations of this model and compare with real data....

  9. Incorporating Ecosystem Processes Controlling Carbon Balance Into Models of Coupled Human-Natural Systems

    Science.gov (United States)

    Currie, W.; Brown, D. G.; Brunner, A.; Fouladbash, L.; Hadzick, Z.; Hutchins, M.; Kiger, S. E.; Makino, Y.; Nassauer, J. I.; Robinson, D. T.; Riolo, R. L.; Sun, S.

    2012-12-01

    A key element in the study of coupled human-natural systems is the interactions of human populations with vegetation and soils. In human-dominated landscapes, vegetation production and change results from a combination of ecological processes and human decision-making and behavior. Vegetation is often dramatically altered, whether to produce food for humans and livestock, to harvest fiber for construction and other materials, to harvest fuel wood or feedstock for biofuels, or simply for cultural preferences as in the case of residential lawns with sparse trees in the exurban landscape. This alteration of vegetation and its management has a substantial impact on the landscape carbon balance. Models can be used to simulate scenarios in human-natural systems and to examine the integration of processes that determine future trajectories of carbon balance. However, most models of human-natural systems include little integration of the human alteration of vegetation with the ecosystem processes that regulate carbon balance. Here we illustrate a few case studies of pilot-study models that strive for this integration from our research across various types of landscapes. We focus greater detail on a fully developed research model linked to a field study of vegetation and soils in the exurban residential landscape of Southeastern Michigan, USA. The field study characterized vegetation and soil carbon storage in 5 types of ecological zones. Field-observed carbon storage in the vegetation in these zones ranged widely, from 150 g C/m2 in turfgrass zones, to 6,000 g C/m2 in zones defined as turfgrass with sparse woody vegetation, to 16,000 g C/m2 in a zone defined as dense trees and shrubs. Use of these zones facilitated the scaling of carbon pools to the landscape, where the areal mixtures of zone types had a significant impact on landscape C storage. Use of these zones also facilitated the use of the ecosystem process model Biome-BGC to simulate C trajectories and also

  10. Representation and Incorporation of Close Others' Responses: The RICOR Model of Social Influence.

    Science.gov (United States)

    Smith, Eliot R; Mackie, Diane M

    2015-08-03

    We propose a new model of social influence, which can occur spontaneously and in the absence of typically assumed motives. We assume that perceivers routinely construct representations of other people's experiences and responses (beliefs, attitudes, emotions, and behaviors), when observing others' responses or simulating the responses of unobserved others. Like representations made accessible by priming, these representations may then influence the process that generates perceivers' own responses, without intention or awareness, especially when there is a strong social connection to the other. We describe evidence for the basic properties and important moderators of this process, which distinguish it from other mechanisms such as informational, normative, or social identity influence. The model offers new perspectives on the role of others' values in producing cultural differences, the persistence and power of stereotypes, the adaptive reasons for being influenced by others' responses, and the impact of others' views about the self. © 2015 by the Society for Personality and Social Psychology, Inc.

  11. Incorporating imperfect detection into joint models of communites: A response to Warton et al.

    Science.gov (United States)

    Beissinger, Steven R.; Iknayan, Kelly J.; Guillera-Arroita, Gurutzeta; Zipkin, Elise; Dorazio, Robert; Royle, Andy; Kery, Marc

    2016-01-01

    Warton et al. [1] advance community ecology by describing a statistical framework that can jointly model abundances (or distributions) across many taxa to quantify how community properties respond to environmental variables. This framework specifies the effects of both measured and unmeasured (latent) variables on the abundance (or occurrence) of each species. Latent variables are random effects that capture the effects of both missing environmental predictors and correlations in parameter values among different species. As presented in Warton et al., however, the joint modeling framework fails to account for the common problem of detection or measurement errors that always accompany field sampling of abundance or occupancy, and are well known to obscure species- and community-level inferences.

  12. Incorporating Floating Surface Objects into a Fully Dispersive Surface Wave Model

    Science.gov (United States)

    2016-04-19

    Bateman c , Joseph Calantoni c , James T. Kirby b a NRL Code 7320, 1009 Balch Blvd, Stennis Space Center, MS 39529 USA b Center for Applied Coastal...wave prop- agation. J. Waterway Port Coast. Ocean Eng. 119, 618–638 . rzech, M., Shi, F., Calantoni, J., Bateman , S., Veeramony, J., 2014. Small-scale...F., Bateman , S., Calantoni, J., 2016. Modeling small- scale physics of waves and ice in the MIZ. AGU 2016 Ocean Sciences Meeting, Session 9483

  13. Teaching For Art Criticism: Incorporating Feldman’s Critical Analysis Learning Model In Students’ Studio Practice

    OpenAIRE

    Maithreyi Subramaniam; Jaffri Hanafi; Abu Talib Putih

    2016-01-01

    This study adopted 30 first year graphic design students’ artwork, with critical analysis using Feldman’s model of art criticism. Data were analyzed quantitatively; descriptive statistical techniques were employed. The scores were viewed in the form of mean score and frequencies to determine students’ performances in their critical ability. Pearson Correlation Coefficient was used to find out the correlation between students’ studio practice and art critical ability scores. The...

  14. Incorporating social anxiety into a model of college student problematic drinking

    OpenAIRE

    Ham, Lindsay S.; Hope, Debra A.

    2005-01-01

    College problem drinking and social anxiety are significant public health concerns with highly negative consequences. College students are faced with a variety of novel social situations and situations encouraging alcohol consumption. The current study involved developing a path model of college problem drinking, including social anxiety, in 316 college students referred to an alcohol intervention due to a campus alcohol violation. Contrary to hypotheses, social anxiety generally had an inver...

  15. Incorporating driver distraction in car-following models: Applying the TCI to the IDM

    OpenAIRE

    Hoogendoorn, R.G.; van Arem, B.; Hoogendoorn, S.P.

    2013-01-01

    ITS can play a significant role in the improvement of traffic flow, traffic safety and greenhouse gas emissions. However, the implementation of Advanced Driver Assistance Systems may lead to adaptation effects in longitudinal driving behavior following driver distraction. It was however not yet clear how to model these adaptation effects in driving behavior mathematically and on which theoretical framework this should be grounded. To this end in this contribution we introduce a theoretical fr...

  16. Reliability constrained decision model for energy service provider incorporating demand response programs

    International Nuclear Information System (INIS)

    Mahboubi-Moghaddam, Esmaeil; Nayeripour, Majid; Aghaei, Jamshid

    2016-01-01

    Highlights: • The operation of Energy Service Providers (ESPs) in electricity markets is modeled. • Demand response as the cost-effective solution is used for energy service provider. • The market price uncertainty is modeled using the robust optimization technique. • The reliability of the distribution network is embedded into the framework. • The simulation results demonstrate the benefits of robust framework for ESPs. - Abstract: Demand response (DR) programs are becoming a critical concept for the efficiency of current electric power industries. Therefore, its various capabilities and barriers have to be investigated. In this paper, an effective decision model is presented for the strategic behavior of energy service providers (ESPs) to demonstrate how to participate in the day-ahead electricity market and how to allocate demand in the smart distribution network. Since market price affects DR and vice versa, a new two-step sequential framework is proposed, in which unit commitment problem (UC) is solved to forecast the expected locational marginal prices (LMPs), and successively DR program is applied to optimize the total cost of providing energy for the distribution network customers. This total cost includes the cost of purchased power from the market and distributed generation (DG) units, incentive cost paid to the customers, and compensation cost of power interruptions. To obtain compensation cost, the reliability evaluation of the distribution network is embedded into the framework using some innovative constraints. Furthermore, to consider the unexpected behaviors of the other market participants, the LMP prices are modeled as the uncertainty parameters using the robust optimization technique, which is more practical compared to the conventional stochastic approach. The simulation results demonstrate the significant benefits of the presented framework for the strategic performance of ESPs.

  17. A Compliant Bistable Mechanism Design Incorporating Elastica Buckling Beam Theory and Pseudo-Rigid-Body Model

    DEFF Research Database (Denmark)

    Sönmez, Ümit; Tutum, Cem Celal

    2008-01-01

    In this work, a new compliant bistable mechanism design is introduced. The combined use of pseudo-rigid-body model (PRBM) and the Elastica buckling theory is presented for the first time to analyze the new design. This mechanism consists of the large deflecting straight beams, buckling beams...... and the buckling Elastica solution for an original compliant mechanism kinematic analysis. New compliant mechanism designs are presented to highlight where such combined kinematic analysis is required....

  18. Terrestrial Feedbacks Incorporated in Global Vegetation Models through Observed Trait-Environment Responses

    Science.gov (United States)

    Bodegom, P. V.

    2015-12-01

    Most global vegetation models used to evaluate climate change impacts rely on plant functional types to describe vegetation responses to environmental stresses. In a traditional set-up in which vegetation characteristics are considered constant within a vegetation type, the possibility to implement and infer feedback mechanisms are limited as feedback mechanisms will likely involve a changing expression of community trait values. Based on community assembly concepts, we implemented functional trait-environment relationships into a global dynamic vegetation model to quantitatively assess this feature. For the current climate, a different global vegetation distribution was calculated with and without the inclusion of trait variation, emphasizing the importance of feedbacks -in interaction with competitive processes- for the prevailing global patterns. These trait-environmental responses do, however, not necessarily imply adaptive responses of vegetation to changing conditions and may locally lead to a faster turnover in vegetation upon climate change. Indeed, when running climate projections, simulations with trait variation did not yield a more stable or resilient vegetation than those without. Through the different feedback expressions, global and regional carbon and water fluxes were -however- strongly altered. At a global scale, model projections suggest an increased productivity and hence an increased carbon sink in the next decades to come, when including trait variation. However, by the end of the century, a reduced carbon sink is projected. This effect is due to a downregulation of photosynthesis rates, particularly in the tropical regions, even when accounting for CO2-fertilization effects. Altogether, the various global model simulations suggest the critical importance of including vegetation functional responses to changing environmental conditions to grasp terrestrial feedback mechanisms at global scales in the light of climate change.

  19. Power Supply Interruption Costs: Models and Methods Incorporating Time Dependent Patterns

    International Nuclear Information System (INIS)

    Kjoelle, G.H.

    1996-12-01

    This doctoral thesis develops models and methods for estimation of annual interruption costs for delivery points, emphasizing the handling of time dependent patterns and uncertainties in the variables determining the annual costs. It presents an analytical method for calculation of annual expected interruption costs for delivery points in radial systems, based on a radial reliability model, with time dependent variables. And a similar method for meshed systems, based on a list of outage events, assuming that these events are found in advance from load flow and contingency analyses. A Monte Carlo simulation model is given which handles both time variations and stochastic variations in the input variables and is based on the same list of outage events. This general procedure for radial and meshed systems provides expectation values and probability distributions for interruption costs from delivery points. There is also a procedure for handling uncertainties in input variables by a fuzzy description, giving annual interruption costs as a fuzzy membership function. The methods are developed for practical applications in radial and meshed systems, based on available data from failure statistics, load registrations and customer surveys. Traditional reliability indices such as annual interruption time, power- and energy not supplied, are calculated as by-products. The methods are presented as algorithms and/or procedures which are available as prototypes. 97 refs., 114 figs., 62 tabs

  20. Incorporating Neighborhood Choice in a Model of Neighborhood Effects on Income.

    Science.gov (United States)

    van Ham, Maarten; Boschman, Sanne; Vogel, Matt

    2018-05-09

    Studies of neighborhood effects often attempt to identify causal effects of neighborhood characteristics on individual outcomes, such as income, education, employment, and health. However, selection looms large in this line of research, and it has been argued that estimates of neighborhood effects are biased because people nonrandomly select into neighborhoods based on their preferences, income, and the availability of alternative housing. We propose a two-step framework to disentangle selection processes in the relationship between neighborhood deprivation and earnings. We model neighborhood selection using a conditional logit model, from which we derive correction terms. Driven by the recognition that most households prefer certain types of neighborhoods rather than specific areas, we employ a principle components analysis to reduce these terms into eight correction components. We use these to adjust parameter estimates from a model of subsequent neighborhood effects on individual income for the unequal probability that a household chooses to live in a particular type of neighborhood. We apply this technique to administrative data from the Netherlands. After we adjust for the differential sorting of households into certain types of neighborhoods, the effect of neighborhood income on individual income diminishes but remains significant. These results further emphasize that researchers need to be attuned to the role of selection bias when assessing the role of neighborhood effects on individual outcomes. Perhaps more importantly, the persistent effect of neighborhood deprivation on subsequent earnings suggests that neighborhood effects reflect more than the shared characteristics of neighborhood residents: place of residence partially determines economic well-being.

  1. Power Supply Interruption Costs: Models and Methods Incorporating Time Dependent Patterns

    Energy Technology Data Exchange (ETDEWEB)

    Kjoelle, G.H.

    1996-12-01

    This doctoral thesis develops models and methods for estimation of annual interruption costs for delivery points, emphasizing the handling of time dependent patterns and uncertainties in the variables determining the annual costs. It presents an analytical method for calculation of annual expected interruption costs for delivery points in radial systems, based on a radial reliability model, with time dependent variables. And a similar method for meshed systems, based on a list of outage events, assuming that these events are found in advance from load flow and contingency analyses. A Monte Carlo simulation model is given which handles both time variations and stochastic variations in the input variables and is based on the same list of outage events. This general procedure for radial and meshed systems provides expectation values and probability distributions for interruption costs from delivery points. There is also a procedure for handling uncertainties in input variables by a fuzzy description, giving annual interruption costs as a fuzzy membership function. The methods are developed for practical applications in radial and meshed systems, based on available data from failure statistics, load registrations and customer surveys. Traditional reliability indices such as annual interruption time, power- and energy not supplied, are calculated as by-products. The methods are presented as algorithms and/or procedures which are available as prototypes. 97 refs., 114 figs., 62 tabs.

  2. Incorporation of cesium into phosphates of apatitic and rhabdophane lattices. Application to the conditioning of separated radionuclides; Incorporation du cesium dans des phosphates de structure apatitique et rhabdophane. Application au conditionnement des radionucleides separes

    Energy Technology Data Exchange (ETDEWEB)

    Campayo, L

    2003-04-01

    Two phosphate-based materials were investigated for cesium immobilization after its partitioning from spent nuclear fuel: apatites and rhabdophanes. The incorporation of cesium into the apatitic lattice creates steric stresses. These stresses induce the formation of secondary phases which are rapidly leached. The effectiveness of the cesium immobilization in this material is not therefore validated. A second phosphate CsCaNd(PO{sub 4}){sub 2} was consistently found at the end of the leach test and its properties were further characterized. The structure of CsCaNd(PO{sub 4}){sub 2}, which is rhabdophane-like, is made of large channels which enable the incorporation of the largest alkaline cations. The synthesis involves two intermediates: the monazite, NdPO{sub 4}, and a soluble phosphate, CsCaPO{sub 4}. The study of a rhabdophane with 10 wt.% of cesium reveals satisfactory intrinsic properties: a thermal stability up to 1100 C and a leach rate of 10{sup -2} g/(m{sup 2}.d). The next step will be to improve the reaction yield. (author)

  3. Structured population models in biology and epidemiology

    CERN Document Server

    Ruan, Shigui

    2008-01-01

    This book consists of six chapters written by leading researchers in mathematical biology. These chapters present recent and important developments in the study of structured population models in biology and epidemiology. Topics include population models structured by age, size, and spatial position; size-structured models for metapopulations, macroparasitc diseases, and prion proliferation; models for transmission of microparasites between host populations living on non-coincident spatial domains; spatiotemporal patterns of disease spread; method of aggregation of variables in population dynamics; and biofilm models. It is suitable as a textbook for a mathematical biology course or a summer school at the advanced undergraduate and graduate level. It can also serve as a reference book for researchers looking for either interesting and specific problems to work on or useful techniques and discussions of some particular problems.

  4. Biotransformation model of neutral and weakly polar organic compounds in fish incorporating internal partitioning.

    Science.gov (United States)

    Kuo, Dave T F; Di Toro, Dominic M

    2013-08-01

    A model for whole-body in vivo biotransformation of neutral and weakly polar organic chemicals in fish is presented. It considers internal chemical partitioning and uses Abraham solvation parameters as reactivity descriptors. It assumes that only chemicals freely dissolved in the body fluid may bind with enzymes and subsequently undergo biotransformation reactions. Consequently, the whole-body biotransformation rate of a chemical is retarded by the extent of its distribution in different biological compartments. Using a randomly generated training set (n = 64), the biotransformation model is found to be: log (HLφfish ) = 2.2 (±0.3)B - 2.1 (±0.2)V - 0.6 (±0.3) (root mean square error of prediction [RMSE] = 0.71), where HL is the whole-body biotransformation half-life in days, φfish is the freely dissolved fraction in body fluid, and B and V are the chemical's H-bond acceptance capacity and molecular volume. Abraham-type linear free energy equations were also developed for lipid-water (Klipidw ) and protein-water (Kprotw ) partition coefficients needed for the computation of φfish from independent determinations. These were found to be 1) log Klipidw  = 0.77E - 1.10S - 0.47A - 3.52B + 3.37V + 0.84 (in Lwat /kglipid ; n = 248, RMSE = 0.57) and 2) log Kprotw  = 0.74E - 0.37S - 0.13A - 1.37B + 1.06V - 0.88 (in Lwat /kgprot ; n = 69, RMSE = 0.38), where E, S, and A quantify dispersive/polarization, dipolar, and H-bond-donating interactions, respectively. The biotransformation model performs well in the validation of HL (n = 424, RMSE = 0.71). The predicted rate constants do not exceed the transport limit due to circulatory flow. Furthermore, the model adequately captures variation in biotransformation rate between chemicals with varying log octanol-water partitioning coefficient, B, and V and exhibits high degree of independence from the choice of training chemicals. The

  5. Incorporating Water Boiling in the Numerical Modelling of Thermal Remediation by Electrical Resistance Heating

    Science.gov (United States)

    Molnar, I. L.; Krol, M.; Mumford, K. G.

    2017-12-01

    Developing numerical models for subsurface thermal remediation techniques - such as Electrical Resistive Heating (ERH) - that include multiphase processes such as in-situ water boiling, gas production and recovery has remained a significant challenge. These subsurface gas generation and recovery processes are driven by physical phenomena such as discrete and unstable gas (bubble) flow as well as water-gas phase mass transfer rates during bubble flow. Traditional approaches to multiphase flow modeling soil remain unable to accurately describe these phenomena. However, it has been demonstrated that Macroscopic Invasion Percolation (MIP) can successfully simulate discrete and unstable gas transport1. This has lead to the development of a coupled Electro Thermal-MIP Model2 (ET-MIP) capable of simulating multiple key processes in the thermal remediation and gas recovery process including: electrical heating of soil and groundwater, water flow, geological heterogeneity, heating-induced buoyant flow, water boiling, gas bubble generation and mobilization, contaminant mass transport and removal, and additional mechanisms such as bubble collapse in cooler regions. This study presents the first rigorous validation of a coupled ET-MIP model against two-dimensional water boiling and water/NAPL co-boiling experiments3. Once validated, the model was used to explore the impact of water and co-boiling events and subsequent gas generation and mobilization on ERH's ability to 1) generate, expand and mobilize gas at boiling and NAPL co-boiling temperatures, 2) efficiently strip contaminants from soil during both boiling and co-boiling. In addition, a quantification of the energy losses arising from steam generation during subsurface water boiling was examined with respect to its impact on the efficacy of thermal remediation. While this study specifically targets ERH, the study's focus on examining the fundamental mechanisms driving thermal remediation (e.g., water boiling) renders

  6. Incorporating single-side sparing in models for predicting parotid dose sparing in head and neck IMRT

    International Nuclear Information System (INIS)

    Yuan, Lulin; Wu, Q. Jackie; Yin, Fang-Fang; Yoo, David; Jiang, Yuliang; Ge, Yaorong

    2014-01-01

    Purpose: Sparing of single-side parotid gland is a common practice in head-and-neck (HN) intensity modulated radiation therapy (IMRT) planning. It is a special case of dose sparing tradeoff between different organs-at-risk. The authors describe an improved mathematical model for predicting achievable dose sparing in parotid glands in HN IMRT planning that incorporates single-side sparing considerations based on patient anatomy and learning from prior plan data. Methods: Among 68 HN cases analyzed retrospectively, 35 cases had physician prescribed single-side parotid sparing preferences. The single-side sparing model was trained with cases which had single-side sparing preferences, while the standard model was trained with the remainder of cases. A receiver operating characteristics (ROC) analysis was performed to determine the best criterion that separates the two case groups using the physician's single-side sparing prescription as ground truth. The final predictive model (combined model) takes into account the single-side sparing by switching between the standard and single-side sparing models according to the single-side sparing criterion. The models were tested with 20 additional cases. The significance of the improvement of prediction accuracy by the combined model over the standard model was evaluated using the Wilcoxon rank-sum test. Results: Using the ROC analysis, the best single-side sparing criterion is (1) the predicted median dose of one parotid is higher than 24 Gy; and (2) that of the other is higher than 7 Gy. This criterion gives a true positive rate of 0.82 and a false positive rate of 0.19, respectively. For the bilateral sparing cases, the combined and the standard models performed equally well, with the median of the prediction errors for parotid median dose being 0.34 Gy by both models (p = 0.81). For the single-side sparing cases, the standard model overestimates the median dose by 7.8 Gy on average, while the predictions by the combined

  7. Structural Identifiability of Dynamic Systems Biology Models.

    Science.gov (United States)

    Villaverde, Alejandro F; Barreiro, Antonio; Papachristodoulou, Antonis

    2016-10-01

    A powerful way of gaining insight into biological systems is by creating a nonlinear differential equation model, which usually contains many unknown parameters. Such a model is called structurally identifiable if it is possible to determine the values of its parameters from measurements of the model outputs. Structural identifiability is a prerequisite for parameter estimation, and should be assessed before exploiting a model. However, this analysis is seldom performed due to the high computational cost involved in the necessary symbolic calculations, which quickly becomes prohibitive as the problem size increases. In this paper we show how to analyse the structural identifiability of a very general class of nonlinear models by extending methods originally developed for studying observability. We present results about models whose identifiability had not been previously determined, report unidentifiabilities that had not been found before, and show how to modify those unidentifiable models to make them identifiable. This method helps prevent problems caused by lack of identifiability analysis, which can compromise the success of tasks such as experiment design, parameter estimation, and model-based optimization. The procedure is called STRIKE-GOLDD (STRuctural Identifiability taKen as Extended-Generalized Observability with Lie Derivatives and Decomposition), and it is implemented in a MATLAB toolbox which is available as open source software. The broad applicability of this approach facilitates the analysis of the increasingly complex models used in systems biology and other areas.

  8. Numerical Modelling of Structures with Uncertainties

    Directory of Open Access Journals (Sweden)

    Kahsin Maciej

    2017-04-01

    Full Text Available The nature of environmental interactions, as well as large dimensions and complex structure of marine offshore objects, make designing, building and operation of these objects a great challenge. This is the reason why a vast majority of investment cases of this type include structural analysis, performed using scaled laboratory models and complemented by extended computer simulations. The present paper focuses on FEM modelling of the offshore wind turbine supporting structure. Then problem is studied using the modal analysis, sensitivity analysis, as well as the design of experiment (DOE and response surface model (RSM methods. The results of modal analysis based simulations were used for assessing the quality of the FEM model against the data measured during the experimental modal analysis of the scaled laboratory model for different support conditions. The sensitivity analysis, in turn, has provided opportunities for assessing the effect of individual FEM model parameters on the dynamic response of the examined supporting structure. The DOE and RSM methods allowed to determine the effect of model parameter changes on the supporting structure response.

  9. Incorporating Embedded Microporous Layers into Topologically Equivalent Pore Network Models for Oxygen Diffusivity Calculations in Polymer Electrolyte Membrane Fuel Cell Gas Diffusion Layers

    International Nuclear Information System (INIS)

    Fazeli, Mohammadreza; Hinebaugh, James; Bazylak, Aimy

    2016-01-01

    Highlights: • Pore network model for modeling PEMFC MPL-coated GDL effective diffusivity. • Bilayered GDL (substrate and MPL) is modeled with a hybrid network of block MPL elements combined with discrete substrate pores. • Diffusivities of MPL-coated GDLs agree with analytical solutions. - Abstract: In this work, a voxel-based methodology is introduced for the hybridization of a pore network with interspersed nano-porous material elements allowing pore network based oxygen diffusivity calculations in a 3D image of a polymer electrolyte membrane (PEM) fuel cell gas diffusion layer (GDL) with an embedded microporous layer (MPL). The composite GDL is modeled by combining a hybrid network of block MPL elements with prescribed bulk material properties and a topologically equivalent network of larger discrete pores and throats that are directly derived from the 3D image of the GDL substrate. This hybrid network was incorporated into a pore network model, and effective diffusivity predictions of GDL materials with MPL coatings were obtained. Stochastically generated numerical models of carbon paper substrates with and without MPLs were used, and the pore space was directly extracted from this realistic geometry as the input for the pore network model. The effective diffusion coefficient of MPL-coated GDL materials was predicted from 3D images in a pore network modeling environment without resolving the nano-scale structure of the MPL. This method is particularly useful due to the disparate length scales that are involved when attempting to capture pore-scale transport in the GDL. Validation was performed by comparing our predicted diffusivity values to analytical predictions, and excellent agreement was observed. Upon conducting a mesh sensitivity study, it was determined that an MPL element size of 7 μm provided sufficiently high resolution for accurately describing the MPL nano-structure.

  10. Incorporation of a high-roughness lower boundary into a mesoscale model for studies of dry deposition over complex terrain

    Science.gov (United States)

    Physick, W. L.; Garratt, J. R.

    1995-04-01

    For flow over natural surfaces, there exists a roughness sublayer within the atmospheric surface layer near the boundary. In this sublayer (typically 50 z 0 deep in unstable conditions), the Monin-Obukhov (M-O) flux profile relations for homogeneous surfaces cannot be applied. We have incorporated a modified form of the M-O stability functions (Garratt, 1978, 1980, 1983) in a mesoscale model to take account of this roughness sublayer and examined the diurnal variation of the boundary-layer wind and temperature profiles with and without these modifications. We have also investigated the effect of the modified M-O functions on the aerodynamic and laminar-sublayer resistances associated with the transfer of trace gases to vegetation. Our results show that when an observation height or the lowest level in a model is within the roughness sublayer, neglect of the flux-profile modifications leads to an underestimate of resistances by 7% at the most.

  11. Antibody structural modeling with prediction of immunoglobulin structure (PIGS)

    DEFF Research Database (Denmark)

    Marcatili, Paolo; Olimpieri, Pier Paolo; Chailyan, Anna

    2014-01-01

    Antibodies (or immunoglobulins) are crucial for defending organisms from pathogens, but they are also key players in many medical, diagnostic and biotechnological applications. The ability to predict their structure and the specific residues involved in antigen recognition has several useful...... applications in all of these areas. Over the years, we have developed or collaborated in developing a strategy that enables researchers to predict the 3D structure of antibodies with a very satisfactory accuracy. The strategy is completely automated and extremely fast, requiring only a few minutes (∼10 min...... on average) to build a structural model of an antibody. It is based on the concept of canonical structures of antibody loops and on our understanding of the way light and heavy chains pack together....

  12. Antibody structural modeling with prediction of immunoglobulin structure (PIGS)

    KAUST Repository

    Marcatili, Paolo

    2014-11-06

    © 2014 Nature America, Inc. All rights reserved. Antibodies (or immunoglobulins) are crucial for defending organisms from pathogens, but they are also key players in many medical, diagnostic and biotechnological applications. The ability to predict their structure and the specific residues involved in antigen recognition has several useful applications in all of these areas. Over the years, we have developed or collaborated in developing a strategy that enables researchers to predict the 3D structure of antibodies with a very satisfactory accuracy. The strategy is completely automated and extremely fast, requiring only a few minutes (~10 min on average) to build a structural model of an antibody. It is based on the concept of canonical structures of antibody loops and on our understanding of the way light and heavy chains pack together.

  13. Incorporating the user perspective into a proposed model for assessing success of SHS implementations

    Directory of Open Access Journals (Sweden)

    Hans Holtorf

    2015-10-01

    Full Text Available Modern energy can contribute to development in multiple ways while approximately 20% of world's populations do not yet have access to electricity. Solar Home Systems (SHSs consists of a PV module, a charge controller and a battery supply in the range of 100 Wh/d in Sunbelt countries. The question addressed in this paper is how SHS users approach success of their systems and how these user's views can be integrated in to an existing model of success. Information was obtained on the user's approach to their SHSs by participatory observation, interviews with users and by self-observation undertaken by the lead author while residing under SHS electricity supply conditions. It was found that success of SHSs from the users' point of view is related to the ability of these systems to reduce the burdens of supplying energy services to homesteads. SHSs can alleviate some energy supply burdens, and they can improve living conditions by enabling communication on multiple levels and by addressing convenience and safety concerns. However, SHSs do not contribute to the energy services which are indispensable for survival, nor to the thermal energy services required and desired in dwellings of Sunbelt countries. The elements of three of the four components of our previously proposed model of success have been verified and found to be appropriate, namely the user's self-set goals, their importance and SHSs' success factors. The locally appropriate, and scientifically satisfactory, measurement of the level of achievement of self-set goals, the fourth component of our model of success, remains an interesting area for future research.

  14. The Eatwell Guide: Modelling the Health Implications of Incorporating New Sugar and Fibre Guidelines.

    Directory of Open Access Journals (Sweden)

    Linda J Cobiac

    Full Text Available To model population health impacts of dietary changes associated with the redevelopment of the UK food-based dietary guidelines (the 'Eatwell Guide'.Using multi-state lifetable methods, we modelled the impact of dietary changes on cardiovascular disease, diabetes and cancers over the lifetime of the current UK population. From this model, we determined change in life expectancy and disability-adjusted life years (DALYs that could be averted.Changing the average diet to that recommended in the new Eatwell Guide, without increasing total energy intake, could increase average life expectancy by 5.4 months (95% uncertainty interval: 4.7 to 6.2 for men and 4.0 months (3.4 to 4.6 for women; and avert 17.9 million (17.6 to 18.2 DALYs over the lifetime of the current population. A large proportion of the health benefits are from prevention of type 2 diabetes, with 440,000 (400,000 to 480,000 new cases prevented in men and 340,000 (310,000 to 370,000 new cases prevented in women, over the next ten years. Prevention of cardiovascular diseases and colorectal cancer is also large. However, if the diet recommended in the new Eatwell Guide is achieved with an accompanying increase in energy intake (and thus an increase in body mass index, around half the potential improvements in population health will not be realised.The dietary changes required to meet recommendations in the Eatwell Guide, which include eating more fruits and vegetables and less red and processed meats and dairy products, are large. However, the potential population health benefits are substantial.

  15. Intelligent structural optimization: Concept, Model and Methods

    International Nuclear Information System (INIS)

    Lu, Dagang; Wang, Guangyuan; Peng, Zhang

    2002-01-01

    Structural optimization has many characteristics of Soft Design, and so, it is necessary to apply the experience of human experts to solving the uncertain and multidisciplinary optimization problems in large-scale and complex engineering systems. With the development of artificial intelligence (AI) and computational intelligence (CI), the theory of structural optimization is now developing into the direction of intelligent optimization. In this paper, a concept of Intelligent Structural Optimization (ISO) is proposed. And then, a design process model of ISO is put forward in which each design sub-process model are discussed. Finally, the design methods of ISO are presented

  16. A porcine model of bladder outlet obstruction incorporating radio-telemetered cystometry.

    Science.gov (United States)

    Shaw, Matthew B; Herndon, Claude D; Cain, Mark P; Rink, Richard C; Kaefer, Martin

    2007-07-01

    To present a novel porcine model of bladder outlet obstruction (BOO) with a standardized bladder outlet resistance and real-time ambulatory radio-telemetered cystometry, as BOO is a common condition with many causes in both adults and children, with significant morbidity and occasional mortality, but attempts to model this condition in many animal models have the fundamental problem of standardising the degree of outlet resistance. BOO was created in nine castrated male pigs by dividing the mid-urethra; outflow was allowed through an implanted bladder drainage catheter containing a resistance valve, allowing urine to flow across the valve only when a set pressure differential was generated across the valve. An implantable radio-telemetered pressure sensor monitored the pressure within the bladder and abdominal cavity, and relayed this information to a remote computer. Four control pigs had an occluded bladder drainage catheter and pressure sensor placed, but were allowed to void normally through the native urethra. Intra-vesical pressure was monitored by telemetry, while the resistance valve was increased weekly, beginning with 2 cmH2O and ultimately reaching 10 cmH2O. The pigs were assessed using conventional cystometry under anaesthesia before death, and samples conserved in formalin for haematoxylin and eosin staining. The pigs had radio-telemetered cystometry for a median of 26 days. All telemetry implants functioned well for the duration of the experiment, but one pig developed a urethral fistula and was excluded from the study. With BOO the bladder mass index (bladder mass/body mass x 10 000) increased from 9.7 to 20 (P = 0.004), with a significant degree of hypertrophy of the detrusor smooth muscle bundles. Obstructed bladders were significantly less compliant than control bladders (8.3 vs 22.1 mL/cmH2O, P = 0.03). Telemetric cystometry showed that there was no statistically significance difference in mean bladder pressure between obstructed and control pigs

  17. Procurement-distribution model for perishable items with quantity discounts incorporating freight policies under fuzzy environment

    Directory of Open Access Journals (Sweden)

    Makkar Sandhya

    2013-01-01

    Full Text Available A significant issue of the supply chain problem is how to integrate different entities. Managing supply chain is a difficult task because of complex integrations, especially when the products are perishable in nature. Little attention has been paid on ordering specific perishable products jointly in uncertain environment with multiple sources and multiple destinations. In this article, we propose a supply chain coordination model through quantity and freight discount policy for perishable products under uncertain cost and demand information. A case is provided to validate the procedure.

  18. Dipole estimation errors due to not incorporating anisotropic conductivities in realistic head models for EEG source analysis

    Science.gov (United States)

    Hallez, Hans; Staelens, Steven; Lemahieu, Ignace

    2009-10-01

    EEG source analysis is a valuable tool for brain functionality research and for diagnosing neurological disorders, such as epilepsy. It requires a geometrical representation of the human head or a head model, which is often modeled as an isotropic conductor. However, it is known that some brain tissues, such as the skull or white matter, have an anisotropic conductivity. Many studies reported that the anisotropic conductivities have an influence on the calculated electrode potentials. However, few studies have assessed the influence of anisotropic conductivities on the dipole estimations. In this study, we want to determine the dipole estimation errors due to not taking into account the anisotropic conductivities of the skull and/or brain tissues. Therefore, head models are constructed with the same geometry, but with an anisotropically conducting skull and/or brain tissue compartment. These head models are used in simulation studies where the dipole location and orientation error is calculated due to neglecting anisotropic conductivities of the skull and brain tissue. Results show that not taking into account the anisotropic conductivities of the skull yields a dipole location error between 2 and 25 mm, with an average of 10 mm. When the anisotropic conductivities of the brain tissues are neglected, the dipole location error ranges between 0 and 5 mm. In this case, the average dipole location error was 2.3 mm. In all simulations, the dipole orientation error was smaller than 10°. We can conclude that the anisotropic conductivities of the skull have to be incorporated to improve the accuracy of EEG source analysis. The results of the simulation, as presented here, also suggest that incorporation of the anisotropic conductivities of brain tissues is not necessary. However, more studies are needed to confirm these suggestions.

  19. Dipole estimation errors due to not incorporating anisotropic conductivities in realistic head models for EEG source analysis

    International Nuclear Information System (INIS)

    Hallez, Hans; Staelens, Steven; Lemahieu, Ignace

    2009-01-01

    EEG source analysis is a valuable tool for brain functionality research and for diagnosing neurological disorders, such as epilepsy. It requires a geometrical representation of the human head or a head model, which is often modeled as an isotropic conductor. However, it is known that some brain tissues, such as the skull or white matter, have an anisotropic conductivity. Many studies reported that the anisotropic conductivities have an influence on the calculated electrode potentials. However, few studies have assessed the influence of anisotropic conductivities on the dipole estimations. In this study, we want to determine the dipole estimation errors due to not taking into account the anisotropic conductivities of the skull and/or brain tissues. Therefore, head models are constructed with the same geometry, but with an anisotropically conducting skull and/or brain tissue compartment. These head models are used in simulation studies where the dipole location and orientation error is calculated due to neglecting anisotropic conductivities of the skull and brain tissue. Results show that not taking into account the anisotropic conductivities of the skull yields a dipole location error between 2 and 25 mm, with an average of 10 mm. When the anisotropic conductivities of the brain tissues are neglected, the dipole location error ranges between 0 and 5 mm. In this case, the average dipole location error was 2.3 mm. In all simulations, the dipole orientation error was smaller than 10 deg. We can conclude that the anisotropic conductivities of the skull have to be incorporated to improve the accuracy of EEG source analysis. The results of the simulation, as presented here, also suggest that incorporation of the anisotropic conductivities of brain tissues is not necessary. However, more studies are needed to confirm these suggestions.

  20. Incorporation prior belief in the general path model: A comparison of information sources

    International Nuclear Information System (INIS)

    Coble, Jamie; Hines, Wesley

    2014-01-01

    The general path model (GPM) is one approach for performing degradation-based, or Type III, prognostics. The GPM fits a parametric function to the collected observations of a prognostic parameter and extrapolates the fit to a failure threshold. This approach has been successfully applied to a variety of systems when a sufficient number of prognostic parameter observations are available. However, the parametric fit can suffer significantly when few data are available or the data are very noisy. In these instances, it is beneficial to include additional information to influence the fit to conform to a prior belief about the evolution of system degradation. Bayesian statistical approaches have been proposed to include prior information in the form of distributions of expected model parameters. This requires a number of run-to-failure cases with tracked prognostic parameters; these data may not be readily available for many systems. Reliability information and stressor-based (Type I and Type II, respectively) prognostic estimates can provide the necessary prior belief for the GPM. This article presents the Bayesian updating framework to include prior information in the GPM and compares the efficacy of including different information sources on two data sets.

  1. Study of an intraurban travel demand model incorporating commuter preference variables

    Science.gov (United States)

    Holligan, P. E.; Coote, M. A.; Rushmer, C. R.; Fanning, M. L.

    1971-01-01

    The model is based on the substantial travel data base for the nine-county San Francisco Bay Area, provided by the Metropolitan Transportation Commission. The model is of the abstract type, and makes use of commuter attitudes towards modes and simple demographic characteristics of zones in a region to predict interzonal travel by mode for the region. A characterization of the STOL/VTOL mode was extrapolated by means of a subjective comparison of its expected characteristics with those of modes characterized by the survey. Predictions of STOL demand were made for the Bay Area and an aircraft network was developed to serve this demand. When this aircraft system is compared to the base case system, the demand for STOL service has increased five fold and the resulting economics show considerable benefit from the increased scale of operations. In the previous study all systems required subsidy in varying amounts. The new system shows a substantial profit at an average fare of $3.55 per trip.

  2. An expanded Notch-Delta model exhibiting long-range patterning and incorporating MicroRNA regulation.

    Directory of Open Access Journals (Sweden)

    Jerry S Chen

    2014-06-01

    Full Text Available Notch-Delta signaling is a fundamental cell-cell communication mechanism that governs the differentiation of many cell types. Most existing mathematical models of Notch-Delta signaling are based on a feedback loop between Notch and Delta leading to lateral inhibition of neighboring cells. These models result in a checkerboard spatial pattern whereby adjacent cells express opposing levels of Notch and Delta, leading to alternate cell fates. However, a growing body of biological evidence suggests that Notch-Delta signaling produces other patterns that are not checkerboard, and therefore a new model is needed. Here, we present an expanded Notch-Delta model that builds upon previous models, adding a local Notch activity gradient, which affects long-range patterning, and the activity of a regulatory microRNA. This model is motivated by our experiments in the ascidian Ciona intestinalis showing that the peripheral sensory neurons, whose specification is in part regulated by the coordinate activity of Notch-Delta signaling and the microRNA miR-124, exhibit a sparse spatial pattern whereby consecutive neurons may be spaced over a dozen cells apart. We perform rigorous stability and bifurcation analyses, and demonstrate that our model is able to accurately explain and reproduce the neuronal pattern in Ciona. Using Monte Carlo simulations of our model along with miR-124 transgene over-expression assays, we demonstrate that the activity of miR-124 can be incorporated into the Notch decay rate parameter of our model. Finally, we motivate the general applicability of our model to Notch-Delta signaling in other animals by providing evidence that microRNAs regulate Notch-Delta signaling in analogous cell types in other organisms, and by discussing evidence in other organisms of sparse spatial patterns in tissues where Notch-Delta signaling is active.

  3. Remote sensing approach to structural modelling

    International Nuclear Information System (INIS)

    El Ghawaby, M.A.

    1989-01-01

    Remote sensing techniques are quite dependable tools in investigating geologic problems, specially those related to structural aspects. The Landsat imagery provides discrimination between rock units, detection of large scale structures as folds and faults, as well as small scale fabric elements such as foliation and banding. In order to fulfill the aim of geologic application of remote sensing, some essential surveying maps might be done from images prior to the structural interpretation: land-use, land-form drainage pattern, lithological unit and structural lineament maps. Afterwards, the field verification should lead to interpretation of a comprehensive structural model of the study area to apply for the target problem. To deduce such a model, there are two ways of analysis the interpreter may go through: the direct and the indirect methods. The direct one is needed in cases where the resources or the targets are controlled by an obvious or exposed structural element or pattern. The indirect way is necessary for areas where the target is governed by a complicated structural pattern. Some case histories of structural modelling methods applied successfully for exploration of radioactive minerals, iron deposits and groundwater aquifers in Egypt are presented. The progress in imagery, enhancement and integration of remote sensing data with the other geophysical and geochemical data allow a geologic interpretation to be carried out which become better than that achieved with either of the individual data sets. 9 refs

  4. Impact damages modeling in laminated composite structures

    Directory of Open Access Journals (Sweden)

    Kreculj Dragan D.

    2014-01-01

    Full Text Available Laminated composites have an important application in modern engineering structures. They are characterized by extraordinary properties, such as: high strength and stiffness and lightweight. Nevertheless, a serious obstacle to more widespread use of those materials is their sensitivity to the impact loads. Impacts cause initiation and development of certain types of damages. Failures that occur in laminated composite structures can be intralaminar and interlaminar. To date it was developed a lot of simulation models for impact damages analysis in laminates. Those models can replace real and expensive testing in laminated structures with a certain accuracy. By using specialized software the damage parameters and distributions can be determined (at certain conditions on laminate structures. With performing numerical simulation of impact on composite laminates there are corresponding results valid for the analysis of these structures.

  5. The effect of intra-abdominal hypertension incorporating severe acute pancreatitis in a porcine model.

    Directory of Open Access Journals (Sweden)

    Lu Ke

    Full Text Available INTRODUCTION: Abdominal compartment syndrome (ACS and intra abdominal hypertension(IAH are common clinical findings in patients with severe acute pancreatitis(SAP. It is thought that an increased intra abdominal pressure(IAP is associated with poor prognosis in SAP patients. But the detailed effect of IAH/ACS on different organ system is not clear. The aim of this study was to assess the effect of SAP combined with IAH on hemodynamics, systemic oxygenation, and organ damage in a 12 h lasting porcine model. MEASUREMENTS AND METHODS: Following baseline registrations, a total of 30 animals were divided into 5 groups (6 animals in each group: SAP+IAP30 group, SAP+IAP20 group, SAP group, IAP30 group(sham-operated but without SAP and sham-operated group. We used a N(2 pneumoperitoneum to induce different levels of IAH and retrograde intra-ductal infusion of sodium taurocholate to induce SAP. The investigation period was 12 h. Hemodynamic parameters (CO, HR, MAP, CVP, urine output, oxygenation parameters(e.g., S(vO(2, PO(2, PaCO(2, peak inspiratory pressure, as well as serum parameters (e.g., ALT, amylase, lactate, creatinine were recorded. Histological examination of liver, intestine, pancreas, and lung was performed. MAIN RESULTS: Cardiac output significantly decreased in the SAP+IAH animals compared with other groups. Furthermore, AST, creatinine, SUN and lactate showed similar increasing tendency paralleled with profoundly decrease in S(vO(2. The histopathological analyses also revealed higher grade injury of liver, intestine, pancreas and lung in the SAP+IAH groups. However, few differences were found between the two SAP+IAH groups with different levels of IAP. CONCLUSIONS: Our newly developed porcine SAP+IAH model demonstrated that there were remarkable effects on global hemodynamics, oxygenation and organ function in response to sustained IAH of 12 h combined with SAP. Moreover, our model should be helpful to study the mechanisms of IAH

  6. On the Use of Structural Equation Models in Marketing Modeling

    NARCIS (Netherlands)

    Steenkamp, J.E.B.M.; Baumgartner, H.

    2000-01-01

    We reflect on the role of structural equation modeling (SEM) in marketing modeling and managerial decision making. We discuss some benefits provided by SEM and alert marketing modelers to several recent developments in SEM in three areas: measurement analysis, analysis of cross-sectional data, and

  7. Teaching For Art Criticism: Incorporating Feldman’s Critical Analysis Learning Model In Students’ Studio Practice

    Directory of Open Access Journals (Sweden)

    Maithreyi Subramaniam

    2016-01-01

    Full Text Available This study adopted 30 first year graphic design students’ artwork, with critical analysis using Feldman’s model of art criticism. Data were analyzed quantitatively; descriptive statistical techniques were employed. The scores were viewed in the form of mean score and frequencies to determine students’ performances in their critical ability. Pearson Correlation Coefficient was used to find out the correlation between students’ studio practice and art critical ability scores. The findings showed most students performed slightly better than average in the critical analyses and performed best in selecting analysis among the four dimensions assessed. In the context of the students’ studio practice and critical ability, findings showed there are some connections between the students’ art critical ability and studio practice.

  8. Etoposide Incorporated into Camel Milk Phospholipids Liposomes Shows Increased Activity against Fibrosarcoma in a Mouse Model

    Directory of Open Access Journals (Sweden)

    Hamzah M. Maswadeh

    2015-01-01

    Full Text Available Phospholipids were isolated from camel milk and identified by using high performance liquid chromatography and gas chromatography-mass spectrometry (GC/MS. Anticancer drug etoposide (ETP was entrapped in liposomes, prepared from camel milk phospholipids, to determine its activity against fibrosarcoma in a murine model. Fibrosarcoma was induced in mice by injecting benzopyrene (BAP and tumor-bearing mice were treated with various formulations of etoposide, including etoposide entrapped camel milk phospholipids liposomes (ETP-Cam-liposomes and etoposide-loaded DPPC-liposomes (ETP-DPPC-liposomes. The tumor-bearing mice treated with ETP-Cam-liposomes showed slow progression of tumors and increased survival compared to free ETP or ETP-DPPC-liposomes. These results suggest that ETP-Cam-liposomes may prove to be a better drug delivery system for anticancer drugs.

  9. Emulating a flexible space structure: Modeling

    Science.gov (United States)

    Waites, H. B.; Rice, S. C.; Jones, V. L.

    1988-01-01

    Control Dynamics, in conjunction with Marshall Space Flight Center, has participated in the modeling and testing of Flexible Space Structures. Through the series of configurations tested and the many techniques used for collecting, analyzing, and modeling the data, many valuable insights have been gained and important lessons learned. This paper discusses the background of the Large Space Structure program, Control Dynamics' involvement in testing and modeling of the configurations (especially the Active Control Technique Evaluation for Spacecraft (ACES) configuration), the results from these two processes, and insights gained from this work.

  10. Power mos devices: structures and modelling procedures

    Energy Technology Data Exchange (ETDEWEB)

    Rossel, P.; Charitat, G.; Tranduc, H.; Morancho, F.; Moncoqut

    1997-05-01

    In this survey, the historical evolution of power MOS transistor structures is presented and currently used devices are described. General considerations on current and voltage capabilities are discussed and configurations of popular structures are given. A synthesis of different modelling approaches proposed last three years is then presented, including analytical solutions, for basic electrical parameters such as threshold voltage, on-resistance, saturation and quasi-saturation effects, temperature influence and voltage handling capability. The numerical solutions of basic semiconductor devices is then briefly reviewed along with some typical problems which can be solved this way. A compact circuit modelling method is finally explained with emphasis on dynamic behavior modelling

  11. Structured building model reduction toward parallel simulation

    Energy Technology Data Exchange (ETDEWEB)

    Dobbs, Justin R. [Cornell University; Hencey, Brondon M. [Cornell University

    2013-08-26

    Building energy model reduction exchanges accuracy for improved simulation speed by reducing the number of dynamical equations. Parallel computing aims to improve simulation times without loss of accuracy but is poorly utilized by contemporary simulators and is inherently limited by inter-processor communication. This paper bridges these disparate techniques to implement efficient parallel building thermal simulation. We begin with a survey of three structured reduction approaches that compares their performance to a leading unstructured method. We then use structured model reduction to find thermal clusters in the building energy model and allocate processing resources. Experimental results demonstrate faster simulation and low error without any interprocessor communication.

  12. Incorporating Road Crossing Data into Vehicle Collision Risk Models for Moose (Alces americanus) in Massachusetts, USA.

    Science.gov (United States)

    Zeller, Katherine A; Wattles, David W; DeStefano, Stephen

    2018-05-09

    Wildlife-vehicle collisions are a human safety issue and may negatively impact wildlife populations. Most wildlife-vehicle collision studies predict high-risk road segments using only collision data. However, these data lack biologically relevant information such as wildlife population densities and successful road-crossing locations. We overcome this shortcoming with a new method that combines successful road crossings with vehicle collision data, to identify road segments that have both high biological relevance and high risk. We used moose (Alces americanus) road-crossing locations from 20 moose collared with Global Positioning Systems as well as moose-vehicle collision (MVC) data in the state of Massachusetts, USA, to create multi-scale resource selection functions. We predicted the probability of moose road crossings and MVCs across the road network and combined these surfaces to identify road segments that met the dual criteria of having high biological relevance and high risk for MVCs. These road segments occurred mostly on larger roadways in natural areas and were surrounded by forests, wetlands, and a heterogenous mix of land cover types. We found MVCs resulted in the mortality of 3% of the moose population in Massachusetts annually. Although there have been only three human fatalities related to MVCs in Massachusetts since 2003, the human fatality rate was one of the highest reported in the literature. The rate of MVCs relative to the size of the moose population and the risk to human safety suggest a need for road mitigation measures, such as fencing, animal detection systems, and large mammal-crossing structures on roadways in Massachusetts.

  13. Time series modelling of overflow structures

    DEFF Research Database (Denmark)

    Carstensen, J.; Harremoës, P.

    1997-01-01

    The dynamics of a storage pipe is examined using a grey-box model based on on-line measured data. The grey-box modelling approach uses a combination of physically-based and empirical terms in the model formulation. The model provides an on-line state estimate of the overflows, pumping capacities...... and available storage capacity in the pipe as well as predictions of future states. A linear overflow relation is found, differing significantly from the traditional modelling approach. This is due to complicated overflow structures in a hydraulic sense where the overflow is governed by inertia from the inflow...... to the overflow structures. The capacity of a pump draining the storage pipe has been estimated for two rain events, revealing that the pump was malfunctioning during the first rain event. The grey-box modelling approach is applicable for automated on-line surveillance and control. (C) 1997 IAWQ. Published...

  14. Structure and physical properties of bio membranes and model membranes

    International Nuclear Information System (INIS)

    Tibor Hianik

    2006-01-01

    Bio membranes belong to the most important structures of the cell and the cell organelles. They play not only structural role of the barrier separating the external and internal part of the membrane but contain also various functional molecules, like receptors, ionic channels, carriers and enzymes. The cell membrane also preserves non-equilibrium state in a cell which is crucial for maintaining its excitability and other signaling functions. The growing interest to the bio membranes is also due to their unique physical properties. From physical point of view the bio membranes, that are composed of lipid bilayer into which are incorporated integral proteins and on their surface are anchored peripheral proteins and polysaccharides, represent liquid s crystal of smectic type. The bio membranes are characterized by anisotropy of structural and physical properties. The complex structure of bio membranes makes the study of their physical properties rather difficult. Therefore several model systems that mimic the structure of bio membranes were developed. Among them the lipid monolayers at an air-water interphase, bilayer lipid membranes, supported bilayer lipid membranes and liposomes are most known. This work is focused on the introduction into the physical word of the bio membranes and their models. After introduction to the membrane structure and the history of its establishment, the physical properties of the bio membranes and their models are stepwise presented. The most focus is on the properties of lipid monolayers, bilayer lipid membranes, supported bilayer lipid membranes and liposomes that were most detailed studied. This lecture has tutorial character that may be useful for undergraduate and graduate students in the area of biophysics, biochemistry, molecular biology and bioengineering, however it contains also original work of the author and his co-worker and PhD students, that may be useful also for specialists working in the field of bio membranes and model

  15. Modeling and control of flexible space structures

    Science.gov (United States)

    Wie, B.; Bryson, A. E., Jr.

    1981-01-01

    The effects of actuator and sensor locations on transfer function zeros are investigated, using uniform bars and beams as generic models of flexible space structures. It is shown how finite element codes may be used directly to calculate transfer function zeros. The impulse response predicted by finite-dimensional models is compared with the exact impulse response predicted by the infinite dimensional models. It is shown that some flexible structures behave as if there were a direct transmission between actuator and sensor (equal numbers of zeros and poles in the transfer function). Finally, natural damping models for a vibrating beam are investigated since natural damping has a strong influence on the appropriate active control logic for a flexible structure.

  16. Incorporation of cooling-induced crystallisation into a 2-dimensional axisymmetric conduit heat flow model

    Science.gov (United States)

    Heptinstall, D. A.; Neuberg, J. W.; Bouvet de Maisonneuve, C.; Collinson, A.; Taisne, B.; Morgan, D. J.

    2015-12-01

    Heat flow models can bring new insights into the thermal and rheological evolution of volcanic systems. We shall investigate the thermal processes and timescales in a crystallizing, static magma column, with a heat flow model of Soufriere Hills Volcano (SHV), Montserrat. The latent heat of crystallization is initially computed with MELTS, as a function of pressure and temperature for an andesitic melt (SHV groundmass starting composition). Three fractional crystallization simulations are performed; two with initial pressures of 34MPa (runs 1 & 2) and one of 25MPa (run 3). Decompression rate was varied between 0.1MPa/°C (runs 1 & 3) and 0.2MPa/°C (run 2). Natural and experimental matrix glass compositions are accurately reproduced by all MELTS runs. The cumulative latent heat released for runs 1, 2 and 3 differs by less than 9% (8.69e5 J/kg*K, 9.32e5 J/kg*K, and 9.49e5 J/kg*K respectively). The 2D axisymmetric conductive cooling simulations consider a 30m-diameter conduit that extends from the surface to a depth of 1500m (34MPa). The temporal evolution of temperature is closely tracked at depths of 10m, 750m and 1400m in the center of the conduit, at the conduit walls, and 20m from the walls into the host rock. Following initial cooling by 7-15oC at 10m depth inside the conduit, the magma temperature rebounds through latent heat release by 32-35oC over 85-123 days to a maximum temperature of 1002-1005oC. At 10 m depth, it takes 4.1-9.2 years for the magma column to cool over 108-130oC and crystallize to 75wt%, at which point it cannot be easily remobilized. It takes 11-31.5 years to reach the same crystallinity at 750-1400m depth. We find a wide range in cooling timescales, particularly at depths of 750m or greater, attributed to the initial run pressure and dominant latent heat producing crystallizing phases (Quartz), where run 1 cools fastest and run 3 cools slowest. Surface cooling by comparison has the strongest influence on the upper tens of meters in all

  17. Incorporation of cooling-induced crystallization into a 2-dimensional axisymmetric conduit heat flow model

    Science.gov (United States)

    Heptinstall, David; Bouvet de Maisonneuve, Caroline; Neuberg, Jurgen; Taisne, Benoit; Collinson, Amy

    2016-04-01

    Heat flow models can bring new insights into the thermal and rheological evolution of volcanic 3 systems. We shall investigate the thermal processes and timescales in a crystallizing, static 4 magma column, with a heat flow model of Soufriere Hills Volcano (SHV), Montserrat. The latent heat of crystallization is initially computed with MELTS, as a function of pressure and temperature for an andesitic melt (SHV groundmass starting composition). Three fractional crystallization simulations are performed; two with initial pressures of 34MPa (runs 1 & 2) and one of 25MPa (run 3). Decompression rate was varied between 0.1MPa/° C (runs 1 & 3) and 0.2MPa/° C (run 2). Natural and experimental matrix glass compositions are accurately reproduced by all MELTS runs. The cumulative latent heat released for runs 1, 2 and 3 differs by less than 9% (8.69E5 J/kg*K, 9.32E5 J/kg*K, and 9.49E5 J/kg*K respectively). The 2D axisymmetric conductive cooling simulations consider a 30m-diameter conduit that extends from the surface to a depth of 1500m (34MPa). The temporal evolution of temperature is closely tracked at depths of 10m, 750m and 1400m in the centre of the conduit, at the conduit walls, and 20m from the walls into the host rock. Following initial cooling by 7-15oC at 10m depth inside the conduit, the magma temperature rebounds through latent heat release by 32-35oC over 85-123 days to a maximum temperature of 1002-1005oC. At 10m depth, it takes 4.1-9.2 years for the magma column to cool by 108-131oC and crystallize to 75wt%, at which point it cannot be easily remobilized. It takes 11-31.5 years to reach the same crystallinity at 750-1400m depth. We find a wide range in cooling timescales, particularly at depths of 750m or greater, attributed to the initial run pressure and the dominant latent heat producing crystallizing phase, Albite-rich Plagioclase Feldspar. Run 1 is shown to cool fastest and run 3 cool the slowest, with surface emissivity having the strongest cooling

  18. Incorporating the CALPHAD sublattice approach of ordering into the phase-field model with finite interface dissipation

    International Nuclear Information System (INIS)

    Zhang, Lijun; Stratmann, Matthias; Du, Yong; Sundman, Bo; Steinbach, Ingo

    2015-01-01

    A new approach to incorporate the sublattice models in the CALPHAD (CALculation of PHAse Diagram) formalism directly into the phase-field formalism is developed. In binary alloys, the sublattice models can be classified into two types (i.e., “Type I” and “Type II”), depending on whether a direct one-to-one relation between the element site fraction in the CALPHAD database and the phase concentration in the phase-field model exists (Type I), or not (Type II). For “Type II” sublattice models, the specific site fractions, corresponding to a given mole fraction, have to be established via internal relaxation be