Payload test philosophy. [to provide confidence in Shuttle structural math models

NASA Technical Reports Server (NTRS)

Mayhew, D.

1979-01-01

Shuttle payload test philosophy is discussed with reference to testing to provide confidence in Shuttle structural math models. Particular attention is given the Shuttle quarter-scale program and the Mated Vertical Ground Vibration Test Program.

An Examination of Pay Facets and Referent Groups for Assessing Pay Satisfaction of Male Elementary School Principals

ERIC Educational Resources Information Center

Young, I. Phillip; Young, Karen Holsey; Okhremtchouk, Irina; Castaneda, Jose Moreno

2009-01-01

Pay satisfaction was assessed according to different facets (pay level, benefits, pay structure, and pay raises) and potential referent groups (teachers and elementary school principals) for a random sample of male elementary school principals. A structural model approach was used that considers facets of the pay process, potential others as…

Mixture models for protein structure ensembles.

PubMed

Hirsch, Michael; Habeck, Michael

2008-10-01

Protein structure ensembles provide important insight into the dynamics and function of a protein and contain information that is not captured with a single static structure. However, it is not clear a priori to what extent the variability within an ensemble is caused by internal structural changes. Additional variability results from overall translations and rotations of the molecule. And most experimental data do not provide information to relate the structures to a common reference frame. To report meaningful values of intrinsic dynamics, structural precision, conformational entropy, etc., it is therefore important to disentangle local from global conformational heterogeneity. We consider the task of disentangling local from global heterogeneity as an inference problem. We use probabilistic methods to infer from the protein ensemble missing information on reference frames and stable conformational sub-states. To this end, we model a protein ensemble as a mixture of Gaussian probability distributions of either entire conformations or structural segments. We learn these models from a protein ensemble using the expectation-maximization algorithm. Our first model can be used to find multiple conformers in a structure ensemble. The second model partitions the protein chain into locally stable structural segments or core elements and less structured regions typically found in loops. Both models are simple to implement and contain only a single free parameter: the number of conformers or structural segments. Our models can be used to analyse experimental ensembles, molecular dynamics trajectories and conformational change in proteins. The Python source code for protein ensemble analysis is available from the authors upon request.

QSPR model for bioconcentration factors of nonpolar organic compounds using molecular electronegativity distance vector descriptors.

PubMed

Qin, Li-Tang; Liu, Shu-Shen; Liu, Hai-Ling

2010-02-01

A five-variable model (model M2) was developed for the bioconcentration factors (BCFs) of nonpolar organic compounds (NPOCs) by using molecular electronegativity distance vector (MEDV) to characterize the structures of NPOCs and variable selection and modeling based on prediction (VSMP) to select the optimum descriptors. The estimated correlation coefficient (r (2)) and the leave-one-out cross-validation correlation coefficients (q (2)) of model M2 were 0.9271 and 0.9171, respectively. The model was externally validated by splitting the whole data set into a representative training set of 85 chemicals and a validation set of 29 chemicals. The results show that the main structural factors influencing the BCFs of NPOCs are -cCc, cCcc, -Cl, and -Br (where "-" refers to a single bond and "c" refers to a conjugated bond). The quantitative structure-property relationship (QSPR) model can effectively predict the BCFs of NPOCs, and the predictions of the model can also extend the current BCF database of experimental values.

The consequences of ignoring measurement invariance for path coefficients in structural equation models

PubMed Central

Guenole, Nigel; Brown, Anna

2014-01-01

We report a Monte Carlo study examining the effects of two strategies for handling measurement non-invariance – modeling and ignoring non-invariant items – on structural regression coefficients between latent variables measured with item response theory models for categorical indicators. These strategies were examined across four levels and three types of non-invariance – non-invariant loadings, non-invariant thresholds, and combined non-invariance on loadings and thresholds – in simple, partial, mediated and moderated regression models where the non-invariant latent variable occupied predictor, mediator, and criterion positions in the structural regression models. When non-invariance is ignored in the latent predictor, the focal group regression parameters are biased in the opposite direction to the difference in loadings and thresholds relative to the referent group (i.e., lower loadings and thresholds for the focal group lead to overestimated regression parameters). With criterion non-invariance, the focal group regression parameters are biased in the same direction as the difference in loadings and thresholds relative to the referent group. While unacceptable levels of parameter bias were confined to the focal group, bias occurred at considerably lower levels of ignored non-invariance than was previously recognized in referent and focal groups. PMID:25278911

Uncertainty quantification and propagation in dynamic models using ambient vibration measurements, application to a 10-story building

NASA Astrophysics Data System (ADS)

Behmanesh, Iman; Yousefianmoghadam, Seyedsina; Nozari, Amin; Moaveni, Babak; Stavridis, Andreas

2018-07-01

This paper investigates the application of Hierarchical Bayesian model updating for uncertainty quantification and response prediction of civil structures. In this updating framework, structural parameters of an initial finite element (FE) model (e.g., stiffness or mass) are calibrated by minimizing error functions between the identified modal parameters and the corresponding parameters of the model. These error functions are assumed to have Gaussian probability distributions with unknown parameters to be determined. The estimated parameters of error functions represent the uncertainty of the calibrated model in predicting building's response (modal parameters here). The focus of this paper is to answer whether the quantified model uncertainties using dynamic measurement at building's reference/calibration state can be used to improve the model prediction accuracies at a different structural state, e.g., damaged structure. Also, the effects of prediction error bias on the uncertainty of the predicted values is studied. The test structure considered here is a ten-story concrete building located in Utica, NY. The modal parameters of the building at its reference state are identified from ambient vibration data and used to calibrate parameters of the initial FE model as well as the error functions. Before demolishing the building, six of its exterior walls were removed and ambient vibration measurements were also collected from the structure after the wall removal. These data are not used to calibrate the model; they are only used to assess the predicted results. The model updating framework proposed in this paper is applied to estimate the modal parameters of the building at its reference state as well as two damaged states: moderate damage (removal of four walls) and severe damage (removal of six walls). Good agreement is observed between the model-predicted modal parameters and those identified from vibration tests. Moreover, it is shown that including prediction error bias in the updating process instead of commonly-used zero-mean error function can significantly reduce the prediction uncertainties.

Reference Models for Multi-Layer Tissue Structures

DTIC Science & Technology

2016-09-01

simulation,  finite   element  analysis 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT 18. NUMBER OF PAGES 19a. NAME OF RESPONSIBLE PERSON USAMRMC...Physiologically realistic, fully specimen-specific, nonlinear reference models. Tasks. Finite element analysis of non-linear mechanics of cadaver...models. Tasks. Finite element analysis of non-linear mechanics of multi-layer tissue regions of human subjects. Deliverables. Partially subject- and

LinkEHR-Ed: a multi-reference model archetype editor based on formal semantics.

PubMed

Maldonado, José A; Moner, David; Boscá, Diego; Fernández-Breis, Jesualdo T; Angulo, Carlos; Robles, Montserrat

2009-08-01

To develop a powerful archetype editing framework capable of handling multiple reference models and oriented towards the semantic description and standardization of legacy data. The main prerequisite for implementing tools providing enhanced support for archetypes is the clear specification of archetype semantics. We propose a formalization of the definition section of archetypes based on types over tree-structured data. It covers the specialization of archetypes, the relationship between reference models and archetypes and conformance of data instances to archetypes. LinkEHR-Ed, a visual archetype editor based on the former formalization with advanced processing capabilities that supports multiple reference models, the editing and semantic validation of archetypes, the specification of mappings to data sources, and the automatic generation of data transformation scripts, is developed. LinkEHR-Ed is a useful tool for building, processing and validating archetypes based on any reference model.

Improved reference models for middle atmosphere ozone

NASA Technical Reports Server (NTRS)

Keating, G. M.; Pitts, M. C.; Chen, C.

1990-01-01

This paper describes the improvements introduced into the original version of ozone reference model of Keating and Young (1985, 1987) which is to be incorporated in the next COSPAR International Reference Atmosphere (CIRA). The ozone reference model will provide information on the global ozone distribution (including the ozone vertical structure as a function of month and latitude from 25 to 90 km) combining data from five recent satellite experiments: the Nimbus 7 LIMS, Nimbus 7 SBUV, AE-2 Stratospheric Aerosol Gas Experiment (SAGE), Solar Mesosphere Explorer (SME) UV Spectrometer, and SME 1.27 Micron Airglow. The improved version of the reference model uses reprocessed AE-2 SAGE data (sunset) and extends the use of SAGE data from 1981 to the 1981-1983 time period. Comparisons are presented between the results of this ozone model and various nonsatellite measurements at different levels in the middle atmosphere.

Structural model constructing for optical handwritten character recognition

NASA Astrophysics Data System (ADS)

Khaustov, P. A.; Spitsyn, V. G.; Maksimova, E. I.

2017-02-01

The article is devoted to the development of the algorithms for optical handwritten character recognition based on the structural models constructing. The main advantage of these algorithms is the low requirement regarding the number of reference images. The one-pass approach to a thinning of the binary character representation has been proposed. This approach is based on the joint use of Zhang-Suen and Wu-Tsai algorithms. The effectiveness of the proposed approach is confirmed by the results of the experiments. The article includes the detailed description of the structural model constructing algorithm’s steps. The proposed algorithm has been implemented in character processing application and has been approved on MNIST handwriting characters database. Algorithms that could be used in case of limited reference images number were used for the comparison.

Ligand placement based on prior structures: the guided ligand-replacement method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Klei, Herbert E.; Bristol-Myers Squibb, Princeton, NJ 08543-4000; Moriarty, Nigel W., E-mail: nwmoriarty@lbl.gov

2014-01-01

A new module, Guided Ligand Replacement (GLR), has been developed in Phenix to increase the ease and success rate of ligand placement when prior protein-ligand complexes are available. The process of iterative structure-based drug design involves the X-ray crystal structure determination of upwards of 100 ligands with the same general scaffold (i.e. chemotype) complexed with very similar, if not identical, protein targets. In conjunction with insights from computational models and assays, this collection of crystal structures is analyzed to improve potency, to achieve better selectivity and to reduce liabilities such as absorption, distribution, metabolism, excretion and toxicology. Current methods formore » modeling ligands into electron-density maps typically do not utilize information on how similar ligands bound in related structures. Even if the electron density is of sufficient quality and resolution to allow de novo placement, the process can take considerable time as the size, complexity and torsional degrees of freedom of the ligands increase. A new module, Guided Ligand Replacement (GLR), was developed in Phenix to increase the ease and success rate of ligand placement when prior protein–ligand complexes are available. At the heart of GLR is an algorithm based on graph theory that associates atoms in the target ligand with analogous atoms in the reference ligand. Based on this correspondence, a set of coordinates is generated for the target ligand. GLR is especially useful in two situations: (i) modeling a series of large, flexible, complicated or macrocyclic ligands in successive structures and (ii) modeling ligands as part of a refinement pipeline that can automatically select a reference structure. Even in those cases for which no reference structure is available, if there are multiple copies of the bound ligand per asymmetric unit GLR offers an efficient way to complete the model after the first ligand has been placed. In all of these applications, GLR leverages prior knowledge from earlier structures to facilitate ligand placement in the current structure.« less

New ARCH: Future Generation Internet Architecture

DTIC Science & Technology

2004-08-01

a vocabulary to talk about a system . This provides a framework ( a “reference model ...layered model Modularity and abstraction are central tenets of Computer Science thinking. Modularity breaks a system into parts, normally to permit...this complexity is hidden. Abstraction suggests a structure for the system . A popular and simple structure is a layered model : lower layer

Modified-BRISQUE as no reference image quality assessment for structural MR images.

PubMed

Chow, Li Sze; Rajagopal, Heshalini

2017-11-01

An effective and practical Image Quality Assessment (IQA) model is needed to assess the image quality produced from any new hardware or software in MRI. A highly competitive No Reference - IQA (NR - IQA) model called Blind/Referenceless Image Spatial Quality Evaluator (BRISQUE) initially designed for natural images were modified to evaluate structural MR images. The BRISQUE model measures the image quality by using the locally normalized luminance coefficients, which were used to calculate the image features. The modified-BRISQUE model trained a new regression model using MR image features and Difference Mean Opinion Score (DMOS) from 775 MR images. Two types of benchmarks: objective and subjective assessments were used as performance evaluators for both original and modified-BRISQUE models. There was a high correlation between the modified-BRISQUE with both benchmarks, and they were higher than those for the original BRISQUE. There was a significant percentage improvement in their correlation values. The modified-BRISQUE was statistically better than the original BRISQUE. The modified-BRISQUE model can accurately measure the image quality of MR images. It is a practical NR-IQA model for MR images without using reference images. Copyright © 2017 Elsevier Inc. All rights reserved.

A pediatric brain structure atlas from T1-weighted MR images

NASA Astrophysics Data System (ADS)

Shan, Zuyao Y.; Parra, Carlos; Ji, Qing; Ogg, Robert J.; Zhang, Yong; Laningham, Fred H.; Reddick, Wilburn E.

2006-03-01

In this paper, we have developed a digital atlas of the pediatric human brain. Human brain atlases, used to visualize spatially complex structures of the brain, are indispensable tools in model-based segmentation and quantitative analysis of brain structures. However, adult brain atlases do not adequately represent the normal maturational patterns of the pediatric brain, and the use of an adult model in pediatric studies may introduce substantial bias. Therefore, we proposed to develop a digital atlas of the pediatric human brain in this study. The atlas was constructed from T1 weighted MR data set of a 9 year old, right-handed girl. Furthermore, we extracted and simplified boundary surfaces of 25 manually defined brain structures (cortical and subcortical) based on surface curvature. Higher curvature surfaces were simplified with more reference points; lower curvature surfaces, with fewer. We constructed a 3D triangular mesh model for each structure by triangulation of the structure's reference points. Kappa statistics (cortical, 0.97; subcortical, 0.91) indicated substantial similarities between the mesh-defined and the original volumes. Our brain atlas and structural mesh models (www.stjude.org/BrainAtlas) can be used to plan treatment, to conduct knowledge and modeldriven segmentation, and to analyze the shapes of brain structures in pediatric patients.

Ozone reference models for the middle atmosphere (new CIRA)

NASA Technical Reports Server (NTRS)

Keating, G. M.; Pitts, M. C.; Young, D. F.

1989-01-01

Models of ozone vertical structure were generated that were based on multiple data sets from satellites. The very good absolute accuracy of the individual data sets allowed the data to be directly combined to generate these models. The data used for generation of these models are from some of the most recent satellite measurements over the period 1978 to 1983. A discussion is provided of validation and error analyses of these data sets. Also, inconsistencies in data sets brought about by temporal variations or other factors are indicated. The models cover the pressure range from from 20 to 0.003 mb (25 to 90 km). The models for pressures less than 0.5 mb represent only the day side and are only provisional since there was limited longitudinal coverage at these levels. The models start near 25 km in accord with previous COSPAR international reference atmosphere (CIRA) models. Models are also provided of ozone mixing ratio as a function of height. The monthly standard deviation and interannual variations relative to zonal means are also provided. In addition to the models of monthly latitudinal variations in vertical structure based on satellite measurements, monthly models of total column ozone and its characteristic variability as a function of latitude based on four years of Nimbus 7 measurements, models of the relationship between vertical structure and total column ozone, and a midlatitude annual mean model are incorporated in this set of ozone reference atmospheres. Various systematic variations are discussed including the annual, semiannual, and quasibiennial oscillations, and diurnal, longitudinal, and response to solar activity variations.

Adapt-Mix: learning local genetic correlation structure improves summary statistics-based analyses

PubMed Central

Park, Danny S.; Brown, Brielin; Eng, Celeste; Huntsman, Scott; Hu, Donglei; Torgerson, Dara G.; Burchard, Esteban G.; Zaitlen, Noah

2015-01-01

Motivation: Approaches to identifying new risk loci, training risk prediction models, imputing untyped variants and fine-mapping causal variants from summary statistics of genome-wide association studies are playing an increasingly important role in the human genetics community. Current summary statistics-based methods rely on global ‘best guess’ reference panels to model the genetic correlation structure of the dataset being studied. This approach, especially in admixed populations, has the potential to produce misleading results, ignores variation in local structure and is not feasible when appropriate reference panels are missing or small. Here, we develop a method, Adapt-Mix, that combines information across all available reference panels to produce estimates of local genetic correlation structure for summary statistics-based methods in arbitrary populations. Results: We applied Adapt-Mix to estimate the genetic correlation structure of both admixed and non-admixed individuals using simulated and real data. We evaluated our method by measuring the performance of two summary statistics-based methods: imputation and joint-testing. When using our method as opposed to the current standard of ‘best guess’ reference panels, we observed a 28% decrease in mean-squared error for imputation and a 73.7% decrease in mean-squared error for joint-testing. Availability and implementation: Our method is publicly available in a software package called ADAPT-Mix available at https://github.com/dpark27/adapt_mix. Contact: noah.zaitlen@ucsf.edu PMID:26072481

Relations between water physico-chemistry and benthic algal communities in a northern Canadian watershed: defining reference conditions using multiple descriptors of community structure.

PubMed

Thomas, Kathryn E; Hall, Roland I; Scrimgeour, Garry J

2015-09-01

Defining reference conditions is central to identifying environmental effects of anthropogenic activities. Using a watershed approach, we quantified reference conditions for benthic algal communities and their relations to physico-chemical conditions in rivers in the South Nahanni River watershed, NWT, Canada, in 2008 and 2009. We also compared the ability of three descriptors that vary in terms of analytical costs to define algal community structure based on relative abundances of (i) all algal taxa, (ii) only diatom taxa, and (iii) photosynthetic pigments. Ordination analyses showed that variance in algal community structure was strongly related to gradients in environmental variables describing water physico-chemistry, stream habitats, and sub-watershed structure. Water physico-chemistry and local watershed-scale descriptors differed significantly between algal communities from sites in the Selwyn Mountain ecoregion compared to sites in the Nahanni-Hyland ecoregions. Distinct differences in algal community types between ecoregions were apparent irrespective of whether algal community structure was defined using all algal taxa, diatom taxa, or photosynthetic pigments. Two algal community types were highly predictable using environmental variables, a core consideration in the development of Reference Condition Approach (RCA) models. These results suggest that assessments of environmental impacts could be completed using RCA models for each ecoregion. We suggest that use of algal pigments, a high through-put analysis, is a promising alternative compared to more labor-intensive and costly taxonomic approaches for defining algal community structure.

Biophysical characterization and structure of the Fab fragment from the NIST reference antibody, RM 8671.

PubMed

Karageorgos, Ioannis; Gallagher, Elyssia S; Galvin, Connor; Gallagher, D Travis; Hudgens, Jeffrey W

2017-11-01

Monoclonal antibody pharmaceuticals are the fastest-growing class of therapeutics, with a wide range of clinical applications. To assure their safety, these protein drugs must demonstrate highly consistent purity and stability. Key to these objectives is higher order structure measurements validated by calibration to reference materials. We describe preparation, characterization, and crystal structure of the Fab fragment prepared from the NIST Reference Antibody RM 8671 (NISTmAb). NISTmAb is a humanized IgG1κ antibody, produced in murine cell culture and purified by standard biopharmaceutical production methods, developed at the National Institute of Standards and Technology (NIST) to serve as a reference material. The Fab fragment was derived from NISTmAb through papain cleavage followed by protein A based purification. The purified Fab fragment was characterized by SDS-PAGE, capillary gel electrophoresis, multi-angle light scattering, size exclusion chromatography, mass spectrometry, and x-ray crystallography. The crystal structure at 0.2 nm resolution includes four independent Fab molecules with complete light chains and heavy chains through Cys 223, enabling assessment of conformational variability and providing a well-characterized reference structure for research and engineering applications. This nonproprietary, publically available reference material of known higher-order structure can support metrology in biopharmaceutical applications, and it is a suitable platform for validation of molecular modeling studies. Published by Elsevier Ltd.

Teaching 1H NMR Spectrometry Using Computer Modeling.

ERIC Educational Resources Information Center

Habata, Yoichi; Akabori, Sadatoshi

2001-01-01

Molecular modeling by computer is used to display stereochemistry, molecular orbitals, structure of transition states, and progress of reactions. Describes new ideas for teaching 1H NMR spectroscopy using computer modeling. (Contains 12 references.) (ASK)

Parallel Computing in Protein Structure Topology Determination

DTIC Science & Technology

2008-12-01

model, B) dynamic model. A B 6. REFERENCES Baker, M. L., W. Jiang, et al. (2006). "Ab initio modeling of the herpesvirus VP26 core...skeletons of secondary structures." J Mol Biol 350(3): 571-86. Zhou, Z. H., M. Dougherty, et al. (2000). "Seeing the herpesvirus capsid at 8.5 Å." Science 288(5467): 877-880.

Middle Atmosphere Program. Handbook for MAP. Volume 16: Atmospheric Structure and Its Variation in the Region 20 to 120 Km. Draft of a New Reference Middle Atmosphere

NASA Technical Reports Server (NTRS)

Labitzke, K. (Editor); Barnett, J. J. (Editor); Edwards, B. (Editor)

1985-01-01

A draft of a new reference atmosphere for the region between 20 and 80 km which depends largely on recent satellite experiments covering the globe from 80 deg S to 80 deg N is given. A separate international tropical reference atmosphere is given, as well as reference ozone models for the middle atmosphere.

SU-E-J-93: Development of Pre-Contoured Human Model Library in DICOM-RT Format for the Epidemiological Study of the Radiotherapy Patients

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pyakuryal, A; Lee, C; Lee, C

Purpose: Prior to 3D conformal radiation therapy planning, patient anatomy information was mostly limited to 2D beams-eye-view from the conventional simulator. To analyze the outcomes of such treatments for radiation late effects, 3D computational human models are often used in commercial treatment planning systems (TPSs). However, several underlying difficulties such as time-consuming manual delineation procedures of a large number of structures in the model have always limited its applications. Primary objective of this work was to develop a human model library for the epidemiological study by converting 3D-surface model organs to DICOM-RT format (DICOM-RT structure) using an in-house built software.more » We converted the ICRP reference human models to DICOM-RT models, which can be readily adopted for various dose calculations. Methods: MATLAB based code were utilized to convert the contour drawings extracted in text-format from the 3D graphic-tool, Rhinoceros into DICOM-RT structure format for 50 different organs of each model using a 16GB dual-core processor. The conversion periods were measured for each DICOM-RT models, and the reconstructed structure volumes were validated against the original 3D-surface models in the TPS. Ten reference hybrid whole-body models (8-pediatric and 2-adults) were automatically processed to create DICOM-RT computational human model library. Results: Mean contour conversion period was found to be 580 (N=2) and 394.5 (N=8) seconds for 50 organs in the adult and pediatric models respectively. A good agreement for large organs (NRMSD <1.0%) and small organs (NRMSD <7.7%) was also observed between the original volumes and corresponding DICOM-RT structure volumes of the organs. Conclusion: The ICRP reference human models were converted into DICOM-RT format to support the epidemiological study using a large cohort of conventional radiotherapy patients. Due to its DICOM-compatibility, the library may be implemented to many other different applications. We also expect to develop the library by including additional models in future.« less

National Nuclear Data Center

Science.gov Websites

reaction data Sigma Retrieval & Plotting Nuclear structure & decay Data Nuclear Science References Experimental Unevaluated Nuclear Data List Evaluated Nuclear Structure Data File NNDC databases Ground and isomeric states properties Nuclear structure & decay data journal Nuclear reaction model code Tools and

Vectorial model for guided-mode resonance gratings

NASA Astrophysics Data System (ADS)

Fehrembach, A.-L.; Gralak, B.; Sentenac, A.

2018-04-01

We propose a self-consistent vectorial method, based on a Green's function technique, to describe the resonances that appear in guided-mode resonance gratings. The model provides intuitive expressions of the reflectivity and transmittivity matrices of the structure, involving coupling integrals between the modes of a planar reference structure and radiative modes. When one mode is excited, the diffracted field for a suitable polarization can be written as the sum of a resonant and a nonresonant term, thus extending the intuitive approach used to explain the Fano shape of the resonance in scalar configurations. When two modes are excited, we derive a physical analysis in a configuration which requires a vectorial approach. We provide numerical validations of our model. From a technical point of view, we show how the Green's tensor of our planar reference structure can be expressed as two scalar Green's functions, and how to deal with the singularity of the Green's tensor.

Frequency Response of an Aircraft Wing with Discrete Source Damage Using Equivalent Plate Analysis

NASA Technical Reports Server (NTRS)

Krishnamurthy, T.; Eldred, Lloyd B.

2007-01-01

An equivalent plate procedure is developed to provide a computationally efficient means of matching the stiffness and frequencies of flight vehicle wing structures for prescribed loading conditions. Several new approaches are proposed and studied to match the stiffness and first five natural frequencies of the two reference models with and without damage. One approach divides the candidate reference plate into multiple zones in which stiffness and mass can be varied using a variety of materials including aluminum, graphite-epoxy, and foam-core graphite-epoxy sandwiches. Another approach places point masses along the edge of the stiffness-matched plate to tune the natural frequencies. Both approaches are successful at matching the stiffness and natural frequencies of the reference plates and provide useful insight into determination of crucial features in equivalent plate models of aircraft wing structures.

Optimized structure and thermochemical properties of flavonoids determined by the CHIH(medium) DFT model chemistry versus experimental techniques

NASA Astrophysics Data System (ADS)

Mendoza-Wilson, Ana María.; Lardizabal-Gutiérrez, Daniel; Torres-Moye, Enrique; Fuentes-Cobas, Luis; Balandrán-Quintana, René R.; Camacho-Dávila, Alejandro; Quintero-Ramos, Armando; Glossman-Mitnik, Daniel

2007-12-01

The purpose of this work was to evaluate the accuracy of the CHIH(medium)-DFT model chemistry (PBEg/CBSB2 ∗∗//PBEg/CBSB4) in the determination of the optimized structure and thermochemical properties of heterocyclic systems of medium size such as flavonoids, wherefore were selected three of the most abundant flavonoids in vegetable tissues, and which posses the higher antioxidant activity: quercetin, (+)-catechin and cyanidin. As reference systems were employed three cyclic compounds: phenol, catechol and resorcinol. The thermochemical properties evaluated were enthalpy of formation, bond dissociation enthalpy (BDE) and ionization potential (IP), following the scheme of isodesmic reactions. The theoretical results were compared with experimental data generated by X-ray diffraction and calorimetric techniques realized in part by us, whereas other data were taken from the literature. The results obtained in this work reveal that the CHIH(medium)-DFT model chemistry represents an accurate computational tool to calculate structural and thermochemical properties in the studied flavonoid and reference compounds. The average absolute deviation of enthalpy of formation for reference compounds was 3.0 kcal/mol, 2.64 kcal/mol for BDE, and 2.97 kcal/mol for IP.

Piezoelectric transformer structural modeling--a review.

PubMed

Yang, Jiashi

2007-06-01

A review on piezoelectric transformer structural modeling is presented. The operating principle and the basic behavior of piezoelectric transformers as governed by the linear theory of piezoelectricity are shown by a simple, theoretical analysis on a Rosen transformer based on extensional modes of a nonhomogeneous ceramic rod. Various transformers are classified according to their structural shapes, operating modes, and voltage transforming capability. Theoretical and numerical modeling results from the theory of piezoelectricity are reviewed. More advances modeling on thermal and nonlinear effects also are discussed. The article contains 167 references.

Dimensional accuracy of jaw scans performed on alginate impressions or stone models: A practice-oriented study.

PubMed

Vogel, Annike B; Kilic, Fatih; Schmidt, Falko; Rübel, Sebastian; Lapatki, Bernd G

2015-07-01

Digital jaw models offer more extensive possibilities for analysis than casts and make it easier to share and archive relevant information. The aim of this study was to compare the dimensional accuracy of scans performed on alginate impressions and on stone models to reference scans performed on underlying resin models. Precision spheres 5 mm in diameter were occlusally fitted to the sites of the first premolars and first molars on a pair of jaw models fabricated from resin. A structured-light scanner was used for digitization. Once the two reference models had been scanned, alginate impressions were taken and scanned after no later than 1 h. A third series of scans was performed on type III stone models derived from the impressions. All scans were analyzed by performing five repeated measurements to determine the distances between the various sphere centers. Compared to the reference scans, the stone-model scans were larger by a mean of 73.6 µm (maxilla) or 65.2 µm (mandible). The impression scans were only larger by 7.7 µm (maxilla) or smaller by 0.7 µm (mandible). Median standard deviations over the five repeated measurements of 1.0 µm for the reference scans, 2.35 µm for the impression scans, and 2.0 µm for the stone-model scans indicate that the values measured in this study were adequately reproducible. Alginate impressions can be suitably digitized by structured-light scanning and offer considerably better dimensional accuracy than stone models. Apparently, however, both impression scans and stone-model scans can offer adequate precision for orthodontic purposes. The main issue of impression scans (which is incomplete representation of model surfaces) is being systematically explored in a follow-up study.

Use of Item Parceling in Structural Equation Modeling with Missing Data

ERIC Educational Resources Information Center

Orcan, Fatih

2013-01-01

Parceling is referred to as a procedure for computing sums or average scores across multiple items. Parcels instead of individual items are then used as indicators of latent factors in the structural equation modeling analysis (Bandalos 2002, 2008; Little et al., 2002; Yang, Nay, & Hoyle, 2010). Item parceling may be applied to alleviate some…

Model correlation and damage location for large space truss structures: Secant method development and evaluation

NASA Technical Reports Server (NTRS)

Smith, Suzanne Weaver; Beattie, Christopher A.

1991-01-01

On-orbit testing of a large space structure will be required to complete the certification of any mathematical model for the structure dynamic response. The process of establishing a mathematical model that matches measured structure response is referred to as model correlation. Most model correlation approaches have an identification technique to determine structural characteristics from the measurements of the structure response. This problem is approached with one particular class of identification techniques - matrix adjustment methods - which use measured data to produce an optimal update of the structure property matrix, often the stiffness matrix. New methods were developed for identification to handle problems of the size and complexity expected for large space structures. Further development and refinement of these secant-method identification algorithms were undertaken. Also, evaluation of these techniques is an approach for model correlation and damage location was initiated.

Acidity in DMSO from the embedded cluster integral equation quantum solvation model.

PubMed

Heil, Jochen; Tomazic, Daniel; Egbers, Simon; Kast, Stefan M

2014-04-01

The embedded cluster reference interaction site model (EC-RISM) is applied to the prediction of acidity constants of organic molecules in dimethyl sulfoxide (DMSO) solution. EC-RISM is based on a self-consistent treatment of the solute's electronic structure and the solvent's structure by coupling quantum-chemical calculations with three-dimensional (3D) RISM integral equation theory. We compare available DMSO force fields with reference calculations obtained using the polarizable continuum model (PCM). The results are evaluated statistically using two different approaches to eliminating the proton contribution: a linear regression model and an analysis of pK(a) shifts for compound pairs. Suitable levels of theory for the integral equation methodology are benchmarked. The results are further analyzed and illustrated by visualizing solvent site distribution functions and comparing them with an aqueous environment.

Optimal estimation of large structure model errors. [in Space Shuttle controller design

NASA Technical Reports Server (NTRS)

Rodriguez, G.

1979-01-01

In-flight estimation of large structure model errors is usually required as a means of detecting inevitable deficiencies in large structure controller/estimator models. The present paper deals with a least-squares formulation which seeks to minimize a quadratic functional of the model errors. The properties of these error estimates are analyzed. It is shown that an arbitrary model error can be decomposed as the sum of two components that are orthogonal in a suitably defined function space. Relations between true and estimated errors are defined. The estimates are found to be approximations that retain many of the significant dynamics of the true model errors. Current efforts are directed toward application of the analytical results to a reference large structure model.

Hydrologic connectivity: Quantitative assessments of hydrologic-enforced drainage structures in an elevation model

USGS Publications Warehouse

Poppenga, Sandra K.; Worstell, Bruce B.

2016-01-01

Elevation data derived from light detection and ranging present challenges for hydrologic modeling as the elevation surface includes bridge decks and elevated road features overlaying culvert drainage structures. In reality, water is carried through these structures; however, in the elevation surface these features impede modeled overland surface flow. Thus, a hydrologically-enforced elevation surface is needed for hydrodynamic modeling. In the Delaware River Basin, hydrologic-enforcement techniques were used to modify elevations to simulate how constructed drainage structures allow overland surface flow. By calculating residuals between unfilled and filled elevation surfaces, artificially pooled depressions that formed upstream of constructed drainage structure features were defined, and elevation values were adjusted by generating transects at the location of the drainage structures. An assessment of each hydrologically-enforced drainage structure was conducted using field-surveyed culvert and bridge coordinates obtained from numerous public agencies, but it was discovered the disparate drainage structure datasets were not comprehensive enough to assess all remotely located depressions in need of hydrologic-enforcement. Alternatively, orthoimagery was interpreted to define drainage structures near each depression, and these locations were used as reference points for a quantitative hydrologic-enforcement assessment. The orthoimagery-interpreted reference points resulted in a larger corresponding sample size than the assessment between hydrologic-enforced transects and field-surveyed data. This assessment demonstrates the viability of rules-based hydrologic-enforcement that is needed to achieve hydrologic connectivity, which is valuable for hydrodynamic models in sensitive coastal regions. Hydrologic-enforced elevation data are also essential for merging with topographic/bathymetric elevation data that extend over vulnerable urbanized areas and dynamic coastal regions.

Architecture of dermatophyte cell Walls: Electron microscopic and biochemical analysis

NASA Technical Reports Server (NTRS)

Nozawa, Y.; Kitajima, Y.

1984-01-01

A review with 83 references on the cell wall structure of dermatophytes is presented. Topics discussed include separation and preparation of cell walls; microstructure of cell walls by electron microscopy; chemical composition of cell walls; structural model of cell walls; and morphological structure of cell walls.

Automated determination of fibrillar structures by simultaneous model building and fiber diffraction refinement.

PubMed

Potrzebowski, Wojciech; André, Ingemar

2015-07-01

For highly oriented fibrillar molecules, three-dimensional structures can often be determined from X-ray fiber diffraction data. However, because of limited information content, structure determination and validation can be challenging. We demonstrate that automated structure determination of protein fibers can be achieved by guiding the building of macromolecular models with fiber diffraction data. We illustrate the power of our approach by determining the structures of six bacteriophage viruses de novo using fiber diffraction data alone and together with solid-state NMR data. Furthermore, we demonstrate the feasibility of molecular replacement from monomeric and fibrillar templates by solving the structure of a plant virus using homology modeling and protein-protein docking. The generated models explain the experimental data to the same degree as deposited reference structures but with improved structural quality. We also developed a cross-validation method for model selection. The results highlight the power of fiber diffraction data as structural constraints.

Automated protein structure modeling in CASP9 by I-TASSER pipeline combined with QUARK-based ab initio folding and FG-MD-based structure refinement

PubMed Central

Xu, Dong; Zhang, Jian; Roy, Ambrish; Zhang, Yang

2011-01-01

I-TASSER is an automated pipeline for protein tertiary structure prediction using multiple threading alignments and iterative structure assembly simulations. In CASP9 experiments, two new algorithms, QUARK and FG-MD, were added to the I-TASSER pipeline for improving the structural modeling accuracy. QUARK is a de novo structure prediction algorithm used for structure modeling of proteins that lack detectable template structures. For distantly homologous targets, QUARK models are found useful as a reference structure for selecting good threading alignments and guiding the I-TASSER structure assembly simulations. FG-MD is an atomic-level structural refinement program that uses structural fragments collected from the PDB structures to guide molecular dynamics simulation and improve the local structure of predicted model, including hydrogen-bonding networks, torsion angles and steric clashes. Despite considerable progress in both the template-based and template-free structure modeling, significant improvements on protein target classification, domain parsing, model selection, and ab initio folding of beta-proteins are still needed to further improve the I-TASSER pipeline. PMID:22069036

Control system design for the large space systems technology reference platform

NASA Technical Reports Server (NTRS)

Edmunds, R. S.

1982-01-01

Structural models and classical frequency domain control system designs were developed for the large space systems technology (LSST) reference platform which consists of a central bus structure, solar panels, and platform arms on which a variety of experiments may be mounted. It is shown that operation of multiple independently articulated payloads on a single platform presents major problems when subarc second pointing stability is required. Experiment compatibility will be an important operational consideration for systems of this type.

Thinkable Models.

ERIC Educational Resources Information Center

Lawler, Robert W.

1996-01-01

Argues that the organization of cognitive structures for technical domains can be visualized as a network of connected thinkable models. Describes a taxonomy of models that has been developed and discusses the issue of how representations relate to human modes of perception and action. Contains 25 references. (DDR)

Structural evaluation of an amyloid fibril model using small-angle x-ray scattering

NASA Astrophysics Data System (ADS)

Dahal, Eshan; Choi, Mina; Alam, Nadia; Bhirde, Ashwinkumar A.; Beaucage, Serge L.; Badano, Aldo

2017-08-01

Amyloid fibrils are highly structured protein aggregates associated with a wide range of diseases including Alzheimer’s and Parkinson’s. We report a structural investigation of an amyloid fibril model prepared from a commonly used plasma protein (bovine serum albumin (BSA)) using small-angle x-ray scattering (SAXS) technique. As a reference, the size estimates from SAXS are compared to dynamic light scattering (DLS) data and the presence of amyloid-like fibrils is confirmed using Congo red absorbance assay. Our SAXS results consistently show the structural transformation of BSA from spheroid to rod-like elongated structures during the fibril formation process. We observe the elongation of fibrils over two months with fibril length growing from 35.9  ±  3.0 nm to 51.5  ±  2.1 nm. Structurally metastable fibrils with distinct SAXS profiles have been identified. As proof of concept, we demonstrate the use of such distinct SAXS profiles to detect fibrils in the mixture solutions of two species by estimating their volume fractions. This easily detectable and well-characterized amyloid fibril model from BSA can be readily used as a control or standard reference to further investigate SAXS applications in the detection of structurally diverse amyloid fibrils associated with protein aggregation diseases.

The NASTRAN user's manual

NASA Technical Reports Server (NTRS)

1983-01-01

All information directly associated with problem solving using the NASTRAN program is presented. This structural analysis program uses the finite element approach to structural modeling wherein the distributed finite properties of a structure are represented by a finite element of structural elements which are interconnected at a finite number of grid points, to which loads are applied and for which displacements are calculated. Procedures are described for defining and loading a structural model. Functional references for every card used for structural modeling, the NASTRAN data deck and control cards, problem solution sequences (rigid formats), using the plotting capability, writing a direct matrix abstraction program, and diagnostic messages are explained. A dictionary of mnemonics, acronyms, phrases, and other commonly used NASTRAN terms is included.

Integrated Modeling Activities for the James Webb Space Telescope: Optical Jitter Analysis

NASA Technical Reports Server (NTRS)

Hyde, T. Tupper; Ha, Kong Q.; Johnston, John D.; Howard, Joseph M.; Mosier, Gary E.

2004-01-01

This is a continuation of a series of papers on the integrated modeling activities for the James Webb Space Telescope(JWST). Starting with the linear optical model discussed in part one, and using the optical sensitivities developed in part two, we now assess the optical image motion and wavefront errors from the structural dynamics. This is often referred to as "jitter: analysis. The optical model is combined with the structural model and the control models to create a linear structural/optical/control model. The largest jitter is due to spacecraft reaction wheel assembly disturbances which are harmonic in nature and will excite spacecraft and telescope structural. The structural/optic response causes image quality degradation due to image motion (centroid error) as well as dynamic wavefront error. Jitter analysis results are used to predict imaging performance, improve the structural design, and evaluate the operational impact of the disturbance sources.

Oscillating water column structural model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Copeland, Guild; Bull, Diana L; Jepsen, Richard Alan

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 amore » 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.« less

Levelized cost of energy for a Backward Bent Duct Buoy

DOE PAGES

Bull, Diana; Jenne, D. Scott; Smith, Christopher S.; ...

2016-07-18

The Reference Model Project, supported by the U.S. Department of Energy, was developed to provide publicly available technical and economic benchmarks for a variety of marine energy converters. The methodology to achieve these benchmarks is to develop public domain designs that incorporate power performance estimates, structural models, anchor and mooring designs, power conversion chain designs, and estimates of the operations and maintenance, installation, and environmental permitting required. The reference model designs are intended to be conservative, robust, and experimentally verified. The Backward Bent Duct Buoy (BBDB) presented in this paper is one of three wave energy conversion devices studied withinmore » the Reference Model Project. Furthermore, comprehensive modeling of the BBDB in a Northern California climate has enabled a full levelized cost of energy (LCOE) analysis to be completed on this device.« less

Levelized cost of energy for a Backward Bent Duct Buoy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bull, Diana; Jenne, D. Scott; Smith, Christopher S.

2016-12-01

The Reference Model Project, supported by the U.S. Department of Energy, was developed to provide publically available technical and economic benchmarks for a variety of marine energy converters. The methodology to achieve these benchmarks is to develop public domain designs that incorporate power performance estimates, structural models, anchor and mooring designs, power conversion chain designs, and estimates of the operations and maintenance, installation, and environmental permitting required. The reference model designs are intended to be conservative, robust, and experimentally verified. The Backward Bent Duct Buoy (BBDB) presented in this paper is one of three wave energy conversion devices studied withinmore » the Reference Model Project. Comprehensive modeling of the BBDB in a Northern California climate has enabled a full levelized cost of energy (LCOE) analysis to be completed on this device.« less

Medical applications of model-based dynamic thermography

NASA Astrophysics Data System (ADS)

Nowakowski, Antoni; Kaczmarek, Mariusz; Ruminski, Jacek; Hryciuk, Marcin; Renkielska, Alicja; Grudzinski, Jacek; Siebert, Janusz; Jagielak, Dariusz; Rogowski, Jan; Roszak, Krzysztof; Stojek, Wojciech

2001-03-01

The proposal to use active thermography in medical diagnostics is promising in some applications concerning investigation of directly accessible parts of the human body. The combination of dynamic thermograms with thermal models of investigated structures gives attractive possibility to make internal structure reconstruction basing on different thermal properties of biological tissues. Measurements of temperature distribution synchronized with external light excitation allow registration of dynamic changes of local temperature dependent on heat exchange conditions. Preliminary results of active thermography applications in medicine are discussed. For skin and under- skin tissues an equivalent thermal model may be determined. For the assumed model its effective parameters may be reconstructed basing on the results of transient thermal processes. For known thermal diffusivity and conductivity of specific tissues the local thickness of a two or three layer structure may be calculated. Results of some medical cases as well as reference data of in vivo study on animals are presented. The method was also applied to evaluate the state of the human heart during the open chest cardio-surgical interventions. Reference studies of evoked heart infarct in pigs are referred, too. We see the proposed new in medical applications technique as a promising diagnostic tool. It is a fully non-invasive, clean, handy, fast and affordable method giving not only qualitative view of investigated surfaces but also an objective quantitative measurement result, accurate enough for many applications including fast screening of affected tissues.

Evidence-based ergonomics: a model and conceptual structure proposal.

PubMed

Silveira, Dierci Marcio

2012-01-01

In Human Factors and Ergonomics Science (HFES), it is difficult to identify what is the best approach to tackle the workplace and systems design problems which needs to be solved, and it has been also advocated as transdisciplinary and multidisciplinary the issue of "How to solve the human factors and ergonomics problems that are identified?". The proposition on this study is to combine the theoretical approach for Sustainability Science, the Taxonomy of the Human Factors and Ergonomics (HFE) discipline and the framework for Evidence-Based Medicine in an attempt to be applied in Human Factors and Ergonomics. Applications of ontologies are known in the field of medical research and computer science. By scrutinizing the key requirements for the HFES structuring of knowledge, it was designed a reference model, First, it was identified the important requirements for HFES Concept structuring, as regarded by Meister. Second, it was developed an evidence-based ergonomics framework as a reference model composed of six levels based on these requirements. Third, it was devised a mapping tool using linguistic resources to translate human work, systems environment and the complexities inherent to their hierarchical relationships to support future development at Level 2 of the reference model and for meeting the two major challenges for HFES, namely, identifying what problems should be addressed in HFE as an Autonomous Science itself and proposing solutions by integrating concepts and methods applied in HFES for those problems.

Linking in situ LAI and fine resolution remote sensing data to map reference LAI over cropland and grassland using geostatistical regression method

NASA Astrophysics Data System (ADS)

He, Yaqian; Bo, Yanchen; Chai, Leilei; Liu, Xiaolong; Li, Aihua

2016-08-01

Leaf Area Index (LAI) is an important parameter of vegetation structure. A number of moderate resolution LAI products have been produced in urgent need of large scale vegetation monitoring. High resolution LAI reference maps are necessary to validate these LAI products. This study used a geostatistical regression (GR) method to estimate LAI reference maps by linking in situ LAI and Landsat TM/ETM+ and SPOT-HRV data over two cropland and two grassland sites. To explore the discrepancies of employing different vegetation indices (VIs) on estimating LAI reference maps, this study established the GR models for different VIs, including difference vegetation index (DVI), normalized difference vegetation index (NDVI), and ratio vegetation index (RVI). To further assess the performance of the GR model, the results from the GR and Reduced Major Axis (RMA) models were compared. The results show that the performance of the GR model varies between the cropland and grassland sites. At the cropland sites, the GR model based on DVI provides the best estimation, while at the grassland sites, the GR model based on DVI performs poorly. Compared to the RMA model, the GR model improves the accuracy of reference LAI maps in terms of root mean square errors (RMSE) and bias.

Image quality assessment by preprocessing and full reference model combination

NASA Astrophysics Data System (ADS)

Bianco, S.; Ciocca, G.; Marini, F.; Schettini, R.

2009-01-01

This paper focuses on full-reference image quality assessment and presents different computational strategies aimed to improve the robustness and accuracy of some well known and widely used state of the art models, namely the Structural Similarity approach (SSIM) by Wang and Bovik and the S-CIELAB spatial-color model by Zhang and Wandell. We investigate the hypothesis that combining error images with a visual attention model could allow a better fit of the psycho-visual data of the LIVE Image Quality assessment Database Release 2. We show that the proposed quality assessment metric better correlates with the experimental data.

Empirical Reference Distributions for Networks of Different Size

PubMed Central

Smith, Anna; Calder, Catherine A.; Browning, Christopher R.

2016-01-01

Network analysis has become an increasingly prevalent research tool across a vast range of scientific fields. Here, we focus on the particular issue of comparing network statistics, i.e. graph-level measures of network structural features, across multiple networks that differ in size. Although “normalized” versions of some network statistics exist, we demonstrate via simulation why direct comparison is often inappropriate. We consider normalizing network statistics relative to a simple fully parameterized reference distribution and demonstrate via simulation how this is an improvement over direct comparison, but still sometimes problematic. We propose a new adjustment method based on a reference distribution constructed as a mixture model of random graphs which reflect the dependence structure exhibited in the observed networks. We show that using simple Bernoulli models as mixture components in this reference distribution can provide adjusted network statistics that are relatively comparable across different network sizes but still describe interesting features of networks, and that this can be accomplished at relatively low computational expense. Finally, we apply this methodology to a collection of ecological networks derived from the Los Angeles Family and Neighborhood Survey activity location data. PMID:27721556

Networking DEC and IBM computers

NASA Technical Reports Server (NTRS)

Mish, W. H.

1983-01-01

Local Area Networking of DEC and IBM computers within the structure of the ISO-OSI Seven Layer Reference Model at a raw signaling speed of 1 Mops or greater are discussed. After an introduction to the ISO-OSI Reference Model nd the IEEE-802 Draft Standard for Local Area Networks (LANs), there follows a detailed discussion and comparison of the products available from a variety of manufactures to perform this networking task. A summary of these products is presented in a table.

Comparison and Analysis of Steel Frame Based on High Strength Column and Normal Strength Column

NASA Astrophysics Data System (ADS)

Liu, Taiyu; An, Yuwei

2018-01-01

The anti-seismic performance of high strength steel has restricted its industrialization in civil buildings. In order to study the influence of high strength steel column on frame structure, three models are designed through MIDAS/GEN finite element software. By comparing the seismic performance and economic performance of the three models, the three different structures are comprehensively evaluated to provide some references for the development of high strength steel in steel structure.

Transactional, Cooperative, and Communal: Relating the Structure of Engineering Engagement Programs with the Nature of Partnerships

ERIC Educational Resources Information Center

Thompson, Julia D.; Jesiek, Brent K.

2017-01-01

This paper examines how the structural features of engineering engagement programs (EEPs) are related to the nature of their service-learning partnerships. "Structure" refers to formal and informal models, processes, and operations adopted or used to describe engagement programs, while "nature" signifies the quality of…

IIR filtering based adaptive active vibration control methodology with online secondary path modeling using PZT actuators

NASA Astrophysics Data System (ADS)

Boz, Utku; Basdogan, Ipek

2015-12-01

Structural vibrations is a major cause for noise problems, discomfort and mechanical failures in aerospace, automotive and marine systems, which are mainly composed of plate-like structures. In order to reduce structural vibrations on these structures, active vibration control (AVC) is an effective approach. Adaptive filtering methodologies are preferred in AVC due to their ability to adjust themselves for varying dynamics of the structure during the operation. The filtered-X LMS (FXLMS) algorithm is a simple adaptive filtering algorithm widely implemented in active control applications. Proper implementation of FXLMS requires availability of a reference signal to mimic the disturbance and model of the dynamics between the control actuator and the error sensor, namely the secondary path. However, the controller output could interfere with the reference signal and the secondary path dynamics may change during the operation. This interference problem can be resolved by using an infinite impulse response (IIR) filter which considers feedback of the one or more previous control signals to the controller output and the changing secondary path dynamics can be updated using an online modeling technique. In this paper, IIR filtering based filtered-U LMS (FULMS) controller is combined with online secondary path modeling algorithm to suppress the vibrations of a plate-like structure. The results are validated through numerical and experimental studies. The results show that the FULMS with online secondary path modeling approach has more vibration rejection capabilities with higher convergence rate than the FXLMS counterpart.

EMP on a NTS experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gilbert, J.; van Lint, V.; Sherwood, S.

This report is a compilation of two previous sets of pretest calculations, references 1 and 2 and the grounding and shielding report, reference 3. The calculations performed in reference 1 were made for the baseline system, with the instrumentation trailers not isolated from ground, and wider ranges of ground conductivity were considered. This was used to develop the grounding and shielding plan included in the appendix. The final pretest calculations of reference 2 were performed for the modified system with isolated trailers, and with a better knowledge of the ground conductivity. The basic driving mechanism for currents in the modelmore » is the motion of Compton electrons, driven by gamma rays, in the air gaps and soil. Most of the Compton current is balanced by conduction current which returns directly along the path of the Compton electron, but a small fraction will return by circuitous paths involving current flow on conductors, including the uphole cables. The calculation of the currents is done in a two step process -- first the voltages in the ground near the conducting metallic structures is calculated without considering the presence of the structures. These are then used as open circuit drivers for an electrical model of the conductors which is obtained from loop integrals of Maxwell`s equations. The model which is used is a transmission line model, similar to those which have been used to calculate EMP currents on buried and overhead cables in other situations, including previous underground tests, although on much shorter distance and time scales, and with more controlled geometries. The behavior of air gaps between the conducting structure and the walls of the drift is calculated using an air chemistry model which determines the electron and ion densities and uses them to calculate the air conductivity across the gap.« less

MENA 1.1 - An Updated Geophysical Regionalization of the Middle East and North Africa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walters, B.; Pasyanos, M.E.; Bhattacharyya, J.

2000-03-01

This short report provides an update to the earlier LLNL paper entitled ''Preliminary Definition of Geophysical Regions for the Middle East and North Africa'' (Sweeney and Walter, 1998). This report is designed to be used in combination with that earlier paper. The reader is referred to Sweeney and Walter (1998) for all details, including definitions, references, uses, shortcomings, etc., of the regionalization process. In this report we will discuss only those regions in which we have changed the boundaries or velocity structure from that given by the original paper. The paper by Sweeney and Walter (1998) drew on a varietymore » of sources to estimate a preliminary, first-order regionalization of the Middle East and North Africa (MENA), providing regional boundaries and velocity models within each region. The model attempts to properly account for major structural discontinuities and significant crustal thickness and velocity variations on a gross scale. The model can be used to extrapolate sparse calibration data within a distinct geophysical region. This model can also serve as a background model in the process of forming station calibration maps using intelligent interpolation techniques such as kriging, extending the calibration into aseismic areas. Such station maps can greatly improve the ability to locate and identify seismic events, which in turn improves the ability to seismically monitor for underground nuclear testing. The original model from Sweeney and Walter (1998) was digitized to a 1{sup o} resolution, for simplicity we will hereafter refer to this model as MENA 1.0. The new model described here has also been digitized to a 1{sup o} resolution and will be referred to as MENA1.1 throughout this report.« less

Postgraduate Education for Nurses: The Middlesex Model.

ERIC Educational Resources Information Center

Caldwell, Kay

2001-01-01

A British university's curriculum model for master's and postgraduate diploma nursing education is characterized by structured collaboration among students, clinical mentors, and academic supervisors. A professional development portfolio individualizes the program and facilitates autonomous learning. (Contains 21 references.) (SK)

Land-Use History and Contemporary Management Inform an Ecological Reference Model for Longleaf Pine Woodland Understory Plant Communities.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brudvig, Lars A.; Orrock, John L.; Damschen, Ellen I.

Ecological restoration is frequently guided by reference conditions describing a successfully restored ecosystem; however, the causes and magnitude of ecosystem degradation vary, making simple knowledge of reference conditions insufficient for prioritizing and guiding restoration. Ecological reference models provide further guidance by quantifying reference conditions, as well as conditions at degraded states that deviate from reference conditions. Many reference models remain qualitative, however, limiting their utility. We quantified and evaluated a reference model for southeastern U.S. longleaf pine woodland understory plant communities. We used regression trees to classify 232 longleaf pine woodland sites at three locations along the Atlantic coastal plainmore » based on relationships between understory plant community composition, soils lol(which broadly structure these communities), and factors associated with understory degradation, including fire frequency, agricultural history, and tree basal area. To understand the spatial generality of this model, we classified all sites together. and for each of three study locations separately. Both the regional and location-specific models produced quantifiable degradation gradients–i.e., progressive deviation from conditions at 38 reference sites, based on understory species composition, diversity and total cover, litter depth, and other attributes. Regionally, fire suppression was the most important degrading factor, followed by agricultural history, but at individual locations, agricultural history or tree basal area was most important. At one location, the influence of a degrading factor depended on soil attributes. We suggest that our regional model can help prioritize longleaf pine woodland restoration across our study region; however, due to substantial landscape-to-landscape variation, local management decisions should take into account additional factors (e.g., soil attributes). Our study demonstrates the utility of quantifying degraded states and provides a series of hypotheses for future experimental restoration work. More broadly, our work provides a framework for developing and evaluating reference models that incorporate multiple, interactive anthropogenic drivers of ecosystem degradation.« less

Model benchmarking and reference signals for angled-beam shear wave ultrasonic nondestructive evaluation (NDE) inspections

NASA Astrophysics Data System (ADS)

Aldrin, John C.; Hopkins, Deborah; Datuin, Marvin; Warchol, Mark; Warchol, Lyudmila; Forsyth, David S.; Buynak, Charlie; Lindgren, Eric A.

2017-02-01

For model benchmark studies, the accuracy of the model is typically evaluated based on the change in response relative to a selected reference signal. The use of a side drilled hole (SDH) in a plate was investigated as a reference signal for angled beam shear wave inspection for aircraft structure inspections of fastener sites. Systematic studies were performed with varying SDH depth and size, and varying the ultrasonic probe frequency, focal depth, and probe height. Increased error was observed with the simulation of angled shear wave beams in the near-field. Even more significant, asymmetry in real probes and the inherent sensitivity of signals in the near-field to subtle test conditions were found to provide a greater challenge with achieving model agreement. To achieve quality model benchmark results for this problem, it is critical to carefully align the probe with the part geometry, to verify symmetry in probe response, and ideally avoid using reference signals from the near-field response. Suggested reference signals for angled beam shear wave inspections include using the `through hole' corner specular reflection signal and the full skip' signal off of the far wall from the side drilled hole.

General personality and psychopathology in referred and nonreferred children and adolescents: an investigation of continuity, pathoplasty, and complication models.

PubMed

De Bolle, Marleen; Beyers, Wim; De Clercq, Barbara; De Fruyt, Filip

2012-11-01

This study investigated the continuity, pathoplasty, and complication models as plausible explanations for personality-psychopathology relations in a combined sample of community (n = 571) and referred (n = 146) children and adolescents. Multivariate structural equation modeling was used to examine the structural relations between latent personality and psychopathology change across a 2-year period. Item response theory models were fitted as an additional test of the continuity hypothesis. Even after correcting for item overlap, the results provided strong support for the continuity model, demonstrating that personality and psychopathology displayed dynamic change patterns across time. Item response theory models further supported the continuity conceptualization for understanding the association between internalizing problems and emotional stability and extraversion as well as between externalizing problems and benevolence and conscientiousness. In addition to the continuity model, particular personality and psychopathology combinations provided evidence for the pathoplasty and complication models. The theoretical and practical implications of these results are discussed, and suggestions for future research are provided. (PsycINFO Database Record (c) 2012 APA, all rights reserved).

Music: Creativity and Structure Transitions

NASA Astrophysics Data System (ADS)

Pietrocini, Emanuela

Music, compared to other complex forms of representation, is fundamentally characterized by constant evolution and a dynamic succession of structure reference models. This is without taking into account historical perspective, the analysis of forms and styles, or questions of a semantic nature; the observation rather refers to the phenomenology of the music system. The more abstract a compositional model, the greater the number and frequency of variables that are not assimilated to the reference structure; this "interference" which happens more often than not in an apparently casual manner, modifies the creative process to varying but always substantial degrees: locally, it produces a disturbance in perceptive, formal and structural parameters, resulting more often than not in a synaesthetic experience; globally, on the other hand, it defines the terms of a transition to a new state, in which the relations between elements and components modify the behavior of the entire system from which they originated. It is possible to find examples of this phenomenon in the whole range of musical production, in particular in improvisations, in the use of the Basso Continuo, and in some contrapuntal works of the baroque period, music whose temporal dimension can depart from the limits of mensurability and symmetry to define an open compositional environment in continuous evolution.

System requirements specification for SMART structures mode

NASA Technical Reports Server (NTRS)

1992-01-01

Specified here are the functional and informational requirements for software modules which address the geometric and data modeling needs of the aerospace structural engineer. The modules are to be included as part of the Solid Modeling Aerospace Research Tool (SMART) package developed for the Vehicle Analysis Branch (VAB) at the NASA Langley Research Center (LaRC). The purpose is to precisely state what the SMART Structures modules will do, without consideration of how it will be done. Each requirement is numbered for reference in development and testing.

Narrative Structure and Emotional References in Parent-Child Reminiscing: Associations with Child Gender, Temperament, and the Quality of Parent-Child Interactions

ERIC Educational Resources Information Center

Bost, Kelly K.; Choi, Eunsil; Wong, Maria S.

2010-01-01

The present research examined child gender, temperament, and the quality of parent-child interactions as predictors of narrative style and references to emotion during mother-child and father-child reminiscing. Although models predicting parents' narrative styles were non-significant, results revealed significant interactions between parental…

An inductance Fourier decomposition-based current-hysteresis control strategy for switched reluctance motors

NASA Astrophysics Data System (ADS)

Hua, Wei; Qi, Ji; Jia, Meng

2017-05-01

Switched reluctance machines (SRMs) have attracted extensive attentions due to the inherent advantages, including simple and robust structure, low cost, excellent fault-tolerance and wide speed range, etc. However, one of the bottlenecks limiting the SRMs for further applications is its unfavorable torque ripple, and consequently noise and vibration due to the unique doubly-salient structure and pulse-current-based power supply method. In this paper, an inductance Fourier decomposition-based current-hysteresis-control (IFD-CHC) strategy is proposed to reduce torque ripple of SRMs. After obtaining a nonlinear inductance-current-position model based Fourier decomposition, reference currents can be calculated by reference torque and the derived inductance model. Both the simulations and experimental results confirm the effectiveness of the proposed strategy.

Application of two passive strategies on the load mitigation of large offshore wind turbines

NASA Astrophysics Data System (ADS)

Shirzadeh, Rasoul; Kühn, Martin

2016-09-01

This study presents the numerical results of two passive strategies to reduce the support structure loads of a large offshore wind turbine. In the first approach, an omnidirectional tuned mass damper is designed and implemented in the tower top to alleviate the structural vibrations. In the second approach, a viscous fluid damper model which is diagonally attached to the tower at two points is developed. Aeroelastic simulations are performed for the offshore 10MW INNWIND.EU reference wind turbine mounted on a jacket structure. Lifetime damage equivalent loads are evaluated at the tower base and compared with those for the reference wind turbine. The results show that the integrated design can extend the lifetime of the support structure.

Evaluation of Reference Genes for RT qPCR Analyses of Structure-Specific and Hormone Regulated Gene Expression in Physcomitrella patens Gametophytes

PubMed Central

Le Bail, Aude; Scholz, Sebastian; Kost, Benedikt

2013-01-01

The use of the moss Physcomitrella patens as a model system to study plant development and physiology is rapidly expanding. The strategic position of P. patens within the green lineage between algae and vascular plants, the high efficiency with which transgenes are incorporated by homologous recombination, advantages associated with the haploid gametophyte representing the dominant phase of the P. patens life cycle, the simple structure of protonemata, leafy shoots and rhizoids that constitute the haploid gametophyte, as well as a readily accessible high-quality genome sequence make this moss a very attractive experimental system. The investigation of the genetic and hormonal control of P. patens development heavily depends on the analysis of gene expression patterns by real time quantitative PCR (RT qPCR). This technique requires well characterized sets of reference genes, which display minimal expression level variations under all analyzed conditions, for data normalization. Sets of suitable reference genes have been described for most widely used model systems including e.g. Arabidopsis thaliana, but not for P. patens. Here, we present a RT qPCR based comparison of transcript levels of 12 selected candidate reference genes in a range of gametophytic P. patens structures at different developmental stages, and in P. patens protonemata treated with hormones or hormone transport inhibitors. Analysis of these RT qPCR data using GeNorm and NormFinder software resulted in the identification of sets of P. patens reference genes suitable for gene expression analysis under all tested conditions, and suggested that the two best reference genes are sufficient for effective data normalization under each of these conditions. PMID:23951063

Parameter Recovery for the 1-P HGLLM with Non-Normally Distributed Level-3 Residuals

ERIC Educational Resources Information Center

Kara, Yusuf; Kamata, Akihito

2017-01-01

A multilevel Rasch model using a hierarchical generalized linear model is one approach to multilevel item response theory (IRT) modeling and is referred to as a one-parameter hierarchical generalized linear logistic model (1-P HGLLM). Although it has the flexibility to model nested structure of data with covariates, the model assumes the normality…

Reference aquaplanet climate in the Community Atmosphere Model, Version 5

DOE PAGES

Medeiros, Brian; Williamson, David L.; Olson, Jerry G.

2016-03-18

In this study, fundamental characteristics of the aquaplanet climate simulated by the Community Atmosphere Model, Version 5.3 (CAM5.3) are presented. The assumptions and simplifications of the configuration are described. A 16 year long, perpetual equinox integration with prescribed SST using the model’s standard 18 grid spacing is presented as a reference simulation. Statistical analysis is presented that shows similar aquaplanet configurations can be run for about 2 years to obtain robust climatological structures, including global and zonal means, eddy statistics, and precipitation distributions. Such a simulation can be compared to the reference simulation to discern differences in the climate, includingmore » an assessment of confidence in the differences. To aid such comparisons, the reference simulation has been made available via earthsystemgrid.org. Examples are shown comparing the reference simulation with simulations from the CAM5 series that make different microphysical assumptions and use a different dynamical core.« less

Assessment of seismic design response factors of concrete wall buildings

NASA Astrophysics Data System (ADS)

Mwafy, Aman

2011-03-01

To verify the seismic design response factors of high-rise buildings, five reference structures, varying in height from 20- to 60-stories, were selected and designed according to modern design codes to represent a wide range of concrete wall structures. Verified fiber-based analytical models for inelastic simulation were developed, considering the geometric nonlinearity and material inelasticity of the structural members. The ground motion uncertainty was accounted for by employing 20 earthquake records representing two seismic scenarios, consistent with the latest understanding of the tectonic setting and seismicity of the selected reference region (UAE). A large number of Inelastic Pushover Analyses (IPAs) and Incremental Dynamic Collapse Analyses (IDCAs) were deployed for the reference structures to estimate the seismic design response factors. It is concluded that the factors adopted by the design code are adequately conservative. The results of this systematic assessment of seismic design response factors apply to a wide variety of contemporary concrete wall buildings with various characteristics.

Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis

PubMed Central

Fancher, Chris M.; Han, Zhen; Levin, Igor; Page, Katharine; Reich, Brian J.; Smith, Ralph C.; Wilson, Alyson G.; Jones, Jacob L.

2016-01-01

A Bayesian inference method for refining crystallographic structures is presented. The distribution of model parameters is stochastically sampled using Markov chain Monte Carlo. Posterior probability distributions are constructed for all model parameters to properly quantify uncertainty by appropriately modeling the heteroskedasticity and correlation of the error structure. The proposed method is demonstrated by analyzing a National Institute of Standards and Technology silicon standard reference material. The results obtained by Bayesian inference are compared with those determined by Rietveld refinement. Posterior probability distributions of model parameters provide both estimates and uncertainties. The new method better estimates the true uncertainties in the model as compared to the Rietveld method. PMID:27550221

The NASA NASTRAN structural analysis computer program - New content

NASA Technical Reports Server (NTRS)

Weidman, D. J.

1978-01-01

Capabilities of a NASA-developed structural analysis computer program, NASTRAN, are evaluated with reference to finite-element modelling. Applications include the automotive industry as well as aerospace. It is noted that the range of sub-programs within NASTRAN has expanded, while keeping user cost low.

Efficient iteration in data-parallel programs with irregular and dynamically distributed data structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Littlefield, R.J.

1990-02-01

To implement an efficient data-parallel program on a non-shared memory MIMD multicomputer, data and computations must be properly partitioned to achieve good load balance and locality of reference. Programs with irregular data reference patterns often require irregular partitions. Although good partitions may be easy to determine, they can be difficult or impossible to implement in programming languages that provide only regular data distributions, such as blocked or cyclic arrays. We are developing Onyx, a programming system that provides a shared memory model of distributed data structures and extends the concept of data distribution to include irregular and dynamic distributions. Thismore » provides a powerful means to specify irregular partitions. Perhaps surprisingly, programs using it can also execute efficiently. In this paper, we describe and evaluate the Onyx implementation of a model problem that repeatedly executes an irregular but fixed data reference pattern. On an NCUBE hypercube, the speed of the Onyx implementation is comparable to that of carefully handwritten message-passing code.« less

Electromagnetic ray tracing model for line structures.

PubMed

Tan, C B; Khoh, A; Yeo, S H

2008-03-17

In this paper, a model for electromagnetic scattering of line structures is established based on high frequency approximation approach - ray tracing. This electromagnetic ray tracing (ERT) model gives the advantage of identifying each physical field that contributes to the total solution of the scattering phenomenon. Besides the geometrical optics field, different diffracted fields associated with the line structures are also discussed and formulated. A step by step addition of each electromagnetic field is given to elucidate the causes of a disturbance in the amplitude profile. The accuracy of the ERT model is also discussed by comparing with the reference finite difference time domain (FDTD) solution, which shows a promising result for a single polysilicon line structure with width of as narrow as 0.4 wavelength.

GTX Reference Vehicle Structural Verification Methods and Weight Summary

NASA Technical Reports Server (NTRS)

Hunter, J. E.; McCurdy, D. R.; Dunn, P. W.

2002-01-01

The design of a single-stage-to-orbit air breathing propulsion system requires the simultaneous development of a reference launch vehicle in order to achieve the optimal mission performance. Accordingly, for the GTX study a 300-lb payload reference vehicle was preliminary sized to a gross liftoff weight (GLOW) of 238,000 lb. A finite element model of the integrated vehicle/propulsion system was subjected to the trajectory environment and subsequently optimized for structural efficiency. This study involved the development of aerodynamic loads mapped to finite element models of the integrated system in order to assess vehicle margins of safety. Commercially available analysis codes were used in the process along with some internally developed spread-sheets and FORTRAN codes specific to the GTX geometry for mapping of thermal and pressure loads. A mass fraction of 0.20 for the integrated system dry weight has been the driver for a vehicle design consisting of state-of-the-art composite materials in order to meet the rigid weight requirements. This paper summarizes the methodology used for preliminary analyses and presents the current status of the weight optimization for the structural components of the integrated system.

GTX Reference Vehicle Structural Verification Methods and Weight Summary

NASA Technical Reports Server (NTRS)

Hunter, J. E.; McCurdy, D. R.; Dunn, P. W.

2002-01-01

The design of a single-stage-to-orbit air breathing propulsion system requires the simultaneous development of a reference launch vehicle in order to achieve the optimal mission performance. Accordingly, for the GTX study a 300-lb payload reference vehicle was preliminarily sized to a gross liftoff weight (GLOW) of 238,000 lb. A finite element model of the integrated vehicle/propulsion system was subjected to the trajectory environment and subsequently optimized for structural efficiency. This study involved the development of aerodynamic loads mapped to finite element models of the integrated system in order to assess vehicle margins of safety. Commercially available analysis codes were used in the process along with some internally developed spreadsheets and FORTRAN codes specific to the GTX geometry for mapping of thermal and pressure loads. A mass fraction of 0.20 for the integrated system dry weight has been the driver for a vehicle design consisting of state-of-the-art composite materials in order to meet the rigid weight requirements. This paper summarizes the methodology used for preliminary analyses and presents the current status of the weight optimization for the structural components of the integrated system.

Representing the Marginal Stability of Peptides in Coarse Grained Models

NASA Astrophysics Data System (ADS)

Sayar, Mehmet; Dalgicdir, Cahit; Ramezanghorbani, Farhad

Tertiary structure of proteins is only marginally stable; such that the folded structure is separated from local minima by as little as 10 kcal/mol. In particular for intrinsically disordered peptides, this marginal stability is key to understanding their complex behavior. Bottom-up coarse grained (CG) models for proteins/peptides which rely on structural and/or thermodynamic reference data from experiments or all atom simulations inherently focus on the equilibrium structure and fail to capture the conformational dynamics of the molecule. In this study, we present a CG model for a synthetic peptide, LK, which successfully captures the conformational flexibility of the molecule in different environments. LK peptide is composed of leucine and lysine residues and displays a stark conformational transition from a degenerate conformation in dilute solution to a fully stable alpha-helix at macroscopic and molecular interfaces. In this study we demonstrate that by carefully combining atomistic references from both the unfolded and folded states, one can create a CG model that can represent not only the folded state, but also the conformational transitions that the peptide exhibits in response to changes in the environment. M. Sayar thanks TÜBİTAK (Grant No. 212T184) and TÜBA Distinguished Young Scientist Award (2012 awardee) for financial support.

Model for nucleon valence structure functions at all x, all p ⊥ and all Q 2 from the correspondence between QCD and DTU

NASA Astrophysics Data System (ADS)

Cohen-Tannoudji, G.; El Hassouni, A.; Mantrach, A.; Oudrhiri-Safiani, E. G.

1982-09-01

We propose a simple parametrization of the nucleon valence structure functions at all x, all p ⊥ and all Q 2. We use the DTU parton model to fix the parametrization at a reference point ( Q {0/2}=3 GeV2) and we mimic the QCD evolution by replacing the dimensioned parameters of the DTU parton model by functions depending on Q 2. Excellent agreement is obtained with existing data.

MQAPRank: improved global protein model quality assessment by learning-to-rank.

PubMed

Jing, Xiaoyang; Dong, Qiwen

2017-05-25

Protein structure prediction has achieved a lot of progress during the last few decades and a greater number of models for a certain sequence can be predicted. Consequently, assessing the qualities of predicted protein models in perspective is one of the key components of successful protein structure prediction. Over the past years, a number of methods have been developed to address this issue, which could be roughly divided into three categories: single methods, quasi-single methods and clustering (or consensus) methods. Although these methods achieve much success at different levels, accurate protein model quality assessment is still an open problem. Here, we present the MQAPRank, a global protein model quality assessment program based on learning-to-rank. The MQAPRank first sorts the decoy models by using single method based on learning-to-rank algorithm to indicate their relative qualities for the target protein. And then it takes the first five models as references to predict the qualities of other models by using average GDT_TS scores between reference models and other models. Benchmarked on CASP11 and 3DRobot datasets, the MQAPRank achieved better performances than other leading protein model quality assessment methods. Recently, the MQAPRank participated in the CASP12 under the group name FDUBio and achieved the state-of-the-art performances. The MQAPRank provides a convenient and powerful tool for protein model quality assessment with the state-of-the-art performances, it is useful for protein structure prediction and model quality assessment usages.

VLBI height corrections due to gravitational deformation of antenna structures

NASA Astrophysics Data System (ADS)

Sarti, P.; Negusini, M.; Abbondanza, C.; Petrov, L.

2009-12-01

From an analysis of regional European VLBI data we evaluate the impact of a VLBI signal path correction model developed to account for gravitational deformations of the antenna structures. The model was derived from a combination of terrestrial surveying methods applied to telescopes at Medicina and Noto in Italy. We find that the model corrections shift the derived height components of these VLBI telescopes' reference points downward by 14.5 and 12.2 mm, respectively. No other parameter estimates nor other station positions are affected. Such systematic height errors are much larger than the formal VLBI random errors and imply the possibility of significant VLBI frame scale distortions, of major concern for the International Terrestrial Reference Frame (ITRF) and its applications. This demonstrates the urgent need to investigate gravitational deformations in other VLBI telescopes and eventually correct them in routine data analysis.

A brief introduction to mixed effects modelling and multi-model inference in ecology

PubMed Central

Donaldson, Lynda; Correa-Cano, Maria Eugenia; Goodwin, Cecily E.D.

2018-01-01

The use of linear mixed effects models (LMMs) is increasingly common in the analysis of biological data. Whilst LMMs offer a flexible approach to modelling a broad range of data types, ecological data are often complex and require complex model structures, and the fitting and interpretation of such models is not always straightforward. The ability to achieve robust biological inference requires that practitioners know how and when to apply these tools. Here, we provide a general overview of current methods for the application of LMMs to biological data, and highlight the typical pitfalls that can be encountered in the statistical modelling process. We tackle several issues regarding methods of model selection, with particular reference to the use of information theory and multi-model inference in ecology. We offer practical solutions and direct the reader to key references that provide further technical detail for those seeking a deeper understanding. This overview should serve as a widely accessible code of best practice for applying LMMs to complex biological problems and model structures, and in doing so improve the robustness of conclusions drawn from studies investigating ecological and evolutionary questions. PMID:29844961

A brief introduction to mixed effects modelling and multi-model inference in ecology.

PubMed

Harrison, Xavier A; Donaldson, Lynda; Correa-Cano, Maria Eugenia; Evans, Julian; Fisher, David N; Goodwin, Cecily E D; Robinson, Beth S; Hodgson, David J; Inger, Richard

2018-01-01

The use of linear mixed effects models (LMMs) is increasingly common in the analysis of biological data. Whilst LMMs offer a flexible approach to modelling a broad range of data types, ecological data are often complex and require complex model structures, and the fitting and interpretation of such models is not always straightforward. The ability to achieve robust biological inference requires that practitioners know how and when to apply these tools. Here, we provide a general overview of current methods for the application of LMMs to biological data, and highlight the typical pitfalls that can be encountered in the statistical modelling process. We tackle several issues regarding methods of model selection, with particular reference to the use of information theory and multi-model inference in ecology. We offer practical solutions and direct the reader to key references that provide further technical detail for those seeking a deeper understanding. This overview should serve as a widely accessible code of best practice for applying LMMs to complex biological problems and model structures, and in doing so improve the robustness of conclusions drawn from studies investigating ecological and evolutionary questions.

A statistical approach to develop a detailed soot growth model using PAH characteristics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raj, Abhijeet; Celnik, Matthew; Shirley, Raphael

A detailed PAH growth model is developed, which is solved using a kinetic Monte Carlo algorithm. The model describes the structure and growth of planar PAH molecules, and is referred to as the kinetic Monte Carlo-aromatic site (KMC-ARS) model. A detailed PAH growth mechanism based on reactions at radical sites available in the literature, and additional reactions obtained from quantum chemistry calculations are used to model the PAH growth processes. New rates for the reactions involved in the cyclodehydrogenation process for the formation of 6-member rings on PAHs are calculated in this work based on density functional theory simulations. Themore » KMC-ARS model is validated by comparing experimentally observed ensembles on PAHs with the computed ensembles for a C{sub 2}H{sub 2} and a C{sub 6}H{sub 6} flame at different heights above the burner. The motivation for this model is the development of a detailed soot particle population balance model which describes the evolution of an ensemble of soot particles based on their PAH structure. However, at present incorporating such a detailed model into a population balance is computationally unfeasible. Therefore, a simpler model referred to as the site-counting model has been developed, which replaces the structural information of the PAH molecules by their functional groups augmented with statistical closure expressions. This closure is obtained from the KMC-ARS model, which is used to develop correlations and statistics in different flame environments which describe such PAH structural information. These correlations and statistics are implemented in the site-counting model, and results from the site-counting model and the KMC-ARS model are in good agreement. Additionally the effect of steric hindrance in large PAH structures is investigated and correlations for sites unavailable for reaction are presented. (author)« less

Mars Global Reference Atmospheric Model (Mars-GRAM): Release No. 2 - Overview and applications

NASA Technical Reports Server (NTRS)

James, B.; Johnson, D.; Tyree, L.

1993-01-01

The Mars Global Reference Atmospheric Model (Mars-GRAM), a science and engineering model for empirically parameterizing the temperature, pressure, density, and wind structure of the Martian atmosphere, is described with particular attention to the model's newest version, Mars-GRAM, Release No. 2 and to the improvements incorporated into the Release No. 2 model as compared with the Release No. 1 version. These improvements include (1) an addition of a new capability to simulate local-scale Martian dust storms and the growth and decay of these storms; (2) an addition of the Zurek and Haberle (1988) wave perturbation model, for simulating tidal perturbation effects; and (3) a new modular version of Mars-GRAM, for incorporation as a subroutine into other codes.

Chapter 10 - Using simulation modeling to assess historical reference conditions for vegetation and fire regimes for the LANDFIRE Prototype Project

Treesearch

Sarah Pratt; Lisa Holsinger; Robert E. Keane

2006-01-01

A critical component of the Landscape Fire and Resource Management Planning Tools Prototype Project, or LANDFIRE Prototype Project, was the development of a nationally consistent method for estimating historical reference conditions for vegetation composition and structure and wildland fire regimes. These estimates of past vegetation composition and condition are used...

[Design of Complex Cavity Structure in Air Route System of Automated Peritoneal Dialysis Machine].

PubMed

Quan, Xiaoliang

2017-07-30

This paper introduced problems about Automated Peritoneal Dialysis machine(APD) that the lack of technical issues such as the structural design of the complex cavities. To study the flow characteristics of this special structure, the application of ANSYS CFX software is used with k-ε turbulence model as the theoretical basis of fluid mechanics. The numerical simulation of flow field simulation result in the internal model can be gotten after the complex structure model is imported into ANSYS CFX module. Then, it will present the distribution of complex cavities inside the flow field and the flow characteristics parameter, which will provide an important reference design for APD design.

Observation-Oriented Modeling: Going beyond "Is It All a Matter of Chance"?

ERIC Educational Resources Information Center

Grice, James W.; Yepez, Maria; Wilson, Nicole L.; Shoda, Yuichi

2017-01-01

An alternative to null hypothesis significance testing is presented and discussed. This approach, referred to as observation-oriented modeling, is centered on model building in an effort to explicate the structures and processes believed to generate a set of observations. In terms of analysis, this novel approach complements traditional methods…

Testing an Instructional Model in a University Educational Setting from the Student's Perspective

ERIC Educational Resources Information Center

Betoret, Fernando Domenech

2006-01-01

We tested a theoretical model that hypothesized relationships between several variables from input, process and product in an educational setting, from the university student's perspective, using structural equation modeling. In order to carry out the analysis, we measured in sequential order the input (referring to students' personal…

A set of 4D pediatric XCAT reference phantoms for multimodality research

DOE Office of Scientific and Technical Information (OSTI.GOV)

Norris, Hannah, E-mail: Hannah.norris@duke.edu; Zhang, Yakun; Bond, Jason

Purpose: The authors previously developed an adult population of 4D extended cardiac-torso (XCAT) phantoms for multimodality imaging research. In this work, the authors develop a reference set of 4D pediatric XCAT phantoms consisting of male and female anatomies at ages of newborn, 1, 5, 10, and 15 years. These models will serve as the foundation from which the authors will create a vast population of pediatric phantoms for optimizing pediatric CT imaging protocols. Methods: Each phantom was based on a unique set of CT data from a normal patient obtained from the Duke University database. The datasets were selected tomore » best match the reference values for height and weight for the different ages and genders according to ICRP Publication 89. The major organs and structures were segmented from the CT data and used to create an initial pediatric model defined using nonuniform rational B-spline surfaces. The CT data covered the entire torso and part of the head. To complete the body, the authors manually added on the top of the head and the arms and legs using scaled versions of the XCAT adult models or additional models created from cadaver data. A multichannel large deformation diffeomorphic metric mapping algorithm was then used to calculate the transform from a template XCAT phantom (male or female 50th percentile adult) to the target pediatric model. The transform was applied to the template XCAT to fill in any unsegmented structures within the target phantom and to implement the 4D cardiac and respiratory models in the new anatomy. The masses of the organs in each phantom were matched to the reference values given in ICRP Publication 89. The new reference models were checked for anatomical accuracy via visual inspection. Results: The authors created a set of ten pediatric reference phantoms that have the same level of detail and functionality as the original XCAT phantom adults. Each consists of thousands of anatomical structures and includes parameterized models for the cardiac and respiratory motions. Based on patient data, the phantoms capture the anatomic variations of childhood, such as the development of bone in the skull, pelvis, and long bones, and the growth of the vertebrae and organs. The phantoms can be combined with existing simulation packages to generate realistic pediatric imaging data from different modalities. Conclusions: The development of patient-derived pediatric computational phantoms is useful in providing variable anatomies for simulation. Future work will expand this ten-phantom base to a host of pediatric phantoms representative of the public at large. This can provide a means to evaluate and improve pediatric imaging devices and to optimize CT protocols in terms of image quality and radiation dose.« less

Ecosystem approach to fisheries: Exploring environmental and trophic effects on Maximum Sustainable Yield (MSY) reference point estimates

PubMed Central

Kumar, Rajeev; Pitcher, Tony J.; Varkey, Divya A.

2017-01-01

We present a comprehensive analysis of estimation of fisheries Maximum Sustainable Yield (MSY) reference points using an ecosystem model built for Mille Lacs Lake, the second largest lake within Minnesota, USA. Data from single-species modelling output, extensive annual sampling for species abundances, annual catch-survey, stomach-content analysis for predatory-prey interactions, and expert opinions were brought together within the framework of an Ecopath with Ecosim (EwE) ecosystem model. An increase in the lake water temperature was observed in the last few decades; therefore, we also incorporated a temperature forcing function in the EwE model to capture the influences of changing temperature on the species composition and food web. The EwE model was fitted to abundance and catch time-series for the period 1985 to 2006. Using the ecosystem model, we estimated reference points for most of the fished species in the lake at single-species as well as ecosystem levels with and without considering the influence of temperature change; therefore, our analysis investigated the trophic and temperature effects on the reference points. The paper concludes that reference points such as MSY are not stationary, but change when (1) environmental conditions alter species productivity and (2) fishing on predators alters the compensatory response of their prey. Thus, it is necessary for the management to re-estimate or re-evaluate the reference points when changes in environmental conditions and/or major shifts in species abundance or community structure are observed. PMID:28957387

Geoid undulations and gravity anomalies over the Aral Sea, the Black Sea and the Caspian Sea from a combined GEOS-3/SEASAT/GEOSAT altimeter data set

NASA Technical Reports Server (NTRS)

Au, Andrew Y.; Brown, Richard D.; Welker, Jean E.

1991-01-01

Satellite-based altimetric data taken by GOES-3, SEASAT, and GEOSAT over the Aral Sea, the Black Sea, and the Caspian Sea are analyzed and a least squares collocation technique is used to predict the geoid undulations on a 0.25x0.25 deg. grid and to transform these geoid undulations to free air gravity anomalies. Rapp's 180x180 geopotential model is used as the reference surface for the collocation procedure. The result of geoid to gravity transformation is, however, sensitive to the information content of the reference geopotential model used. For example, considerable detailed surface gravity data were incorporated into the reference model over the Black Sea, resulting in a reference model with significant information content at short wavelengths. Thus, estimation of short wavelength gravity anomalies from gridded geoid heights is generally reliable over regions such as the Black Sea, using the conventional collocation technique with local empirical covariance functions. Over regions such as the Caspian Sea, where detailed surface data are generally not incorporated into the reference model, unconventional techniques are needed to obtain reliable gravity anomalies. Based on the predicted gravity anomalies over these inland seas, speculative tectonic structures are identified and geophysical processes are inferred.

The metaphysics of D-CTCs: On the underlying assumptions of Deutsch's quantum solution to the paradoxes of time travel

NASA Astrophysics Data System (ADS)

Dunlap, Lucas

2016-11-01

I argue that Deutsch's model for the behavior of systems traveling around closed timelike curves (CTCs) relies implicitly on a substantive metaphysical assumption. Deutsch is employing a version of quantum theory with a significantly supplemented ontology of parallel existent worlds, which differ in kind from the many worlds of the Everett interpretation. Standard Everett does not support the existence of multiple identical copies of the world, which the D-CTC model requires. This has been obscured because he often refers to the branching structure of Everett as a "multiverse", and describes quantum interference by reference to parallel interacting definite worlds. But he admits that this is only an approximation to Everett. The D-CTC model, however, relies crucially on the existence of a multiverse of parallel interacting worlds. Since his model is supplemented by structures that go significantly beyond quantum theory, and play an ineliminable role in its predictions and explanations, it does not represent a quantum solution to the paradoxes of time travel.

Assessing the Moral Coherence and Moral Robustness of Social Systems: Proof of Concept for a Graphical Models Approach.

PubMed

Hoss, Frauke; London, Alex John

2016-12-01

This paper presents a proof of concept for a graphical models approach to assessing the moral coherence and moral robustness of systems of social interactions. "Moral coherence" refers to the degree to which the rights and duties of agents within a system are effectively respected when agents in the system comply with the rights and duties that are recognized as in force for the relevant context of interaction. "Moral robustness" refers to the degree to which a system of social interaction is configured to ensure that the interests of agents are effectively respected even in the face of noncompliance. Using the case of conscientious objection of pharmacists to filling prescriptions for emergency contraception as an example, we illustrate how a graphical models approach can help stakeholders identify structural weaknesses in systems of social interaction and evaluate the relative merits of alternate organizational structures. By illustrating the merits of a graphical models approach we hope to spur further developments in this area.

Novel indexes based on network structure to indicate financial market

NASA Astrophysics Data System (ADS)

Zhong, Tao; Peng, Qinke; Wang, Xiao; Zhang, Jing

2016-02-01

There have been various achievements to understand and to analyze the financial market by complex network model. However, current studies analyze the financial network model but seldom present quantified indexes to indicate or forecast the price action of market. In this paper, the stock market is modeled as a dynamic network, in which the vertices refer to listed companies and edges refer to their rank-based correlation based on price series. Characteristics of the network are analyzed and then novel indexes are introduced into market analysis, which are calculated from maximum and fully-connected subnets. The indexes are compared with existing ones and the results confirm that our indexes perform better to indicate the daily trend of market composite index in advance. Via investment simulation, the performance of our indexes is analyzed in detail. The results indicate that the dynamic complex network model could not only serve as a structural description of the financial market, but also work to predict the market and guide investment by indexes.

Thermal/structural modeling of a large scale in situ overtest experiment for defense high level waste at the Waste Isolation Pilot Plant Facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morgan, H.S.; Stone, C.M.; Krieg, R.D.

Several large scale in situ experiments in bedded salt formations are currently underway at the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico, USA. In these experiments, the thermal and creep responses of salt around several different underground room configurations are being measured. Data from the tests are to be compared to thermal and structural responses predicted in pretest reference calculations. The purpose of these comparisons is to evaluate computational models developed from laboratory data prior to fielding of the in situ experiments. In this paper, the computational models used in the pretest reference calculation for one of themore » large scale tests, The Overtest for Defense High Level Waste, are described; and the pretest computed thermal and structural responses are compared to early data from the experiment. The comparisons indicate that computed and measured temperatures for the test agree to within ten percent but that measured deformation rates are between two and three times greater than corresponsing computed rates. 10 figs., 3 tabs.« less

Optimal Reference Strain Structure for Studying Dynamic Responses of Flexible Rockets

NASA Technical Reports Server (NTRS)

Tsushima, Natsuki; Su, Weihua; Wolf, Michael G.; Griffin, Edwin D.; Dumoulin, Marie P.

2017-01-01

In the proposed paper, the optimal design of reference strain structures (RSS) will be performed targeting for the accurate observation of the dynamic bending and torsion deformation of a flexible rocket. It will provide the detailed description of the finite-element (FE) model of a notional flexible rocket created in MSC.Patran. The RSS will be attached longitudinally along the side of the rocket and to track the deformation of the thin-walled structure under external loads. An integrated surrogate-based multi-objective optimization approach will be developed to find the optimal design of the RSS using the FE model. The Kriging method will be used to construct the surrogate model. For the data sampling and the performance evaluation, static/transient analyses will be performed with MSC.Natran/Patran. The multi-objective optimization will be solved with NSGA-II to minimize the difference between the strains of the launch vehicle and RSS. Finally, the performance of the optimal RSS will be evaluated by checking its strain-tracking capability in different numerical simulations of the flexible rocket.

On the geometrically nonlinear elastic response of class θ = 1 tensegrity prisms

NASA Astrophysics Data System (ADS)

Mascolo, Ida; Amendola, Ada; Zuccaro, Giulio; Feo, Luciano; Fraternali, Fernando

2018-03-01

The present work studies the geometrically nonlinear response of class ϑ=1 tensegrity prisms modeled as a collection of elastic springs reacting in tension (strings or cables) or compression (bars), under uniform uniaxial loading. The incremental equilibrium equations of the structure are numerically solved through a path-following procedure, with the aim of modeling the mechanical behavior of the structure in the large displacement regime. Several numerical results are presented with reference to a variety of physical models, which use two different materials for the cables and the bars, and show different aspect ratios associated with either 'standard' or 'expanded' configurations. An experimental validation of the predicted constitutive response is conducted with reference to a 'thick' and a 'slender' model, observing rather good theory vs. experiment matching. The given numerical and experimental results highlight that the elastic response of the examined structures may switch from stiffening to softening, depending on the geometry of the system, the magnitude of the external load, and the applied prestress. The outcomes of the current study confirm previous literature results on the elastic response of minimal tensegrity prisms, and pave the way to the use of tensegrity systems as nonlinear spring units forming tunable mechanical metamaterials.

Benefits of statistical molecular design, covariance analysis, and reference models in QSAR: a case study on acetylcholinesterase

NASA Astrophysics Data System (ADS)

Andersson, C. David; Hillgren, J. Mikael; Lindgren, Cecilia; Qian, Weixing; Akfur, Christine; Berg, Lotta; Ekström, Fredrik; Linusson, Anna

2015-03-01

Scientific disciplines such as medicinal- and environmental chemistry, pharmacology, and toxicology deal with the questions related to the effects small organic compounds exhort on biological targets and the compounds' physicochemical properties responsible for these effects. A common strategy in this endeavor is to establish structure-activity relationships (SARs). The aim of this work was to illustrate benefits of performing a statistical molecular design (SMD) and proper statistical analysis of the molecules' properties before SAR and quantitative structure-activity relationship (QSAR) analysis. Our SMD followed by synthesis yielded a set of inhibitors of the enzyme acetylcholinesterase (AChE) that had very few inherent dependencies between the substructures in the molecules. If such dependencies exist, they cause severe errors in SAR interpretation and predictions by QSAR-models, and leave a set of molecules less suitable for future decision-making. In our study, SAR- and QSAR models could show which molecular sub-structures and physicochemical features that were advantageous for the AChE inhibition. Finally, the QSAR model was used for the prediction of the inhibition of AChE by an external prediction set of molecules. The accuracy of these predictions was asserted by statistical significance tests and by comparisons to simple but relevant reference models.

PDBsum new things.

PubMed

Laskowski, Roman A

2009-01-01

PDBsum (http://www.ebi.ac.uk/pdbsum) provides summary information about each experimentally determined structural model in the Protein Data Bank (PDB). Here we describe some of its most recent features, including figures from the structure's key reference, citation data, Pfam domain diagrams, topology diagrams and protein-protein interactions. Furthermore, it now accepts users' own PDB format files and generates a private set of analyses for each uploaded structure.

Presentation of Atomic Structure in Turkish General Chemistry Textbooks

ERIC Educational Resources Information Center

Niaz, Mansoor; Costu, Bayram

2009-01-01

Research in science education has recognized the importance of teaching atomic structure within a history and philosophy of science perspective. The objective of this study is to evaluate general chemistry textbooks published in Turkey based on the eight criteria developed in previous research. Criteria used referred to the atomic models of…

On the Delusiveness of Adopting a Common Space for Modeling IR Objects: Are Queries Documents?

ERIC Educational Resources Information Center

Bollmann-Sdorra, Peter; Raghavan, Vjay V.

1993-01-01

Proposes that document space and query space have different structures in information retrieval and discusses similarity measures, term independence, and linear structure. Examples are given using the retrieval functions of dot-product, the cosine measure, the coefficient of Jaccard, and the overlap function. (Contains 28 references.) (LRW)

Model Analysis of Fine Structures of Student Models: An Example with Newton's Third Law.

ERIC Educational Resources Information Center

Bao, Lei; Hogg, Kirsten; Zollman, Dean

2002-01-01

Studies the role of context in students' uses of alternative conceptual models by using Newton's third law. Identifies four contextual features that are frequently used by students in their reasoning. Probes the effects of specific contextual features on student reasoning using a multiple-choice survey. (Contains 39 references.) (Author/YDS)

Cumulus cloud model estimates of trace gas transports

NASA Technical Reports Server (NTRS)

Garstang, Michael; Scala, John; Simpson, Joanne; Tao, Wei-Kuo; Thompson, A.; Pickering, K. E.; Harris, R.

1989-01-01

Draft structures in convective clouds are examined with reference to the results of the NASA Amazon Boundary Layer Experiments (ABLE IIa and IIb) and calculations based on a multidimensional time dependent dynamic and microphysical numerical cloud model. It is shown that some aspects of the draft structures can be calculated from measurements of the cloud environment. Estimated residence times in the lower regions of the cloud based on surface observations (divergence and vertical velocities) are within the same order of magnitude (about 20 min) as model trajectory estimates.

Intensive MHD-structures penetration in the middle atmosphere initiated in the ionospheric cusp under quiet geomagnetic conditions

NASA Technical Reports Server (NTRS)

Mateev, L. N.; Nenovski, P. I.; Vellinov, P. I.

1989-01-01

In connection with the recently detected quasiperiodical magnetic disturbances in the ionospheric cusp, the penetration of compressional surface magnetohydrodynamic (MHD) waves through the middle atmosphere is modelled numerically. For the COSPAR International Reference Atmosphere (CIRA) 72 model the respective energy density flux of the disturbances in the middle atmosphere is determined. On the basis of the developed model certain conclusions are reached about the height distribution of the structures (energy losses, currents, etc.) initiated by intensive magnetic cusp disturbances.

Integrative structural annotation of de novo RNA-Seq provides an accurate reference gene set of the enormous genome of the onion (Allium cepa L.)

PubMed Central

Kim, Seungill; Kim, Myung-Shin; Kim, Yong-Min; Yeom, Seon-In; Cheong, Kyeongchae; Kim, Ki-Tae; Jeon, Jongbum; Kim, Sunggil; Kim, Do-Sun; Sohn, Seong-Han; Lee, Yong-Hwan; Choi, Doil

2015-01-01

The onion (Allium cepa L.) is one of the most widely cultivated and consumed vegetable crops in the world. Although a considerable amount of onion transcriptome data has been deposited into public databases, the sequences of the protein-coding genes are not accurate enough to be used, owing to non-coding sequences intermixed with the coding sequences. We generated a high-quality, annotated onion transcriptome from de novo sequence assembly and intensive structural annotation using the integrated structural gene annotation pipeline (ISGAP), which identified 54,165 protein-coding genes among 165,179 assembled transcripts totalling 203.0 Mb by eliminating the intron sequences. ISGAP performed reliable annotation, recognizing accurate gene structures based on reference proteins, and ab initio gene models of the assembled transcripts. Integrative functional annotation and gene-based SNP analysis revealed a whole biological repertoire of genes and transcriptomic variation in the onion. The method developed in this study provides a powerful tool for the construction of reference gene sets for organisms based solely on de novo transcriptome data. Furthermore, the reference genes and their variation described here for the onion represent essential tools for molecular breeding and gene cloning in Allium spp. PMID:25362073

Structure-based coarse-graining for inhomogeneous liquid polymer systems.

PubMed

Fukuda, Motoo; Zhang, Hedong; Ishiguro, Takahiro; Fukuzawa, Kenji; Itoh, Shintaro

2013-08-07

The iterative Boltzmann inversion (IBI) method is used to derive interaction potentials for coarse-grained (CG) systems by matching structural properties of a reference atomistic system. However, because it depends on such thermodynamic conditions as density and pressure of the reference system, the derived CG nonbonded potential is probably not applicable to inhomogeneous systems containing different density regimes. In this paper, we propose a structure-based coarse-graining scheme to devise CG nonbonded potentials that are applicable to different density bulk systems and inhomogeneous systems with interfaces. Similar to the IBI, the radial distribution function (RDF) of a reference atomistic bulk system is used for iteratively refining the CG nonbonded potential. In contrast to the IBI, however, our scheme employs an appropriately estimated initial guess and a small amount of refinement to suppress transfer of the many-body interaction effects included in the reference RDF into the CG nonbonded potential. To demonstrate the application of our approach to inhomogeneous systems, we perform coarse-graining for a liquid perfluoropolyether (PFPE) film coated on a carbon surface. The constructed CG PFPE model favorably reproduces structural and density distribution functions, not only for bulk systems, but also at the liquid-vacuum and liquid-solid interfaces, demonstrating that our CG scheme offers an easy and practical way to accurately determine nonbonded potentials for inhomogeneous systems.

Why Might Relative Fit Indices Differ between Estimators?

ERIC Educational Resources Information Center

Weng, Li-Jen; Cheng, Chung-Ping

1997-01-01

Relative fit indices using the null model as the reference point in computation may differ across estimation methods, as this article illustrates by comparing maximum likelihood, ordinary least squares, and generalized least squares estimation in structural equation modeling. The illustration uses a covariance matrix for six observed variables…

THE FUTURE OF COMPUTER-BASED TOXICITY PREDICTION: MECHANISM-BASED MODELS VS. INFORMATION MINING APPROACHES

EPA Science Inventory

The Future of Computer-Based Toxicity Prediction:
Mechanism-Based Models vs. Information Mining Approaches

When we speak of computer-based toxicity prediction, we are generally referring to a broad array of approaches which rely primarily upon chemical structure ...

Teacher Behavior and Student Outcomes: Results of a European Study

ERIC Educational Resources Information Center

Panayiotou, Anastasia; Kyriakides, Leonidas; Creemers, Bert P. M.; McMahon, Léan; Vanlaar, Gudrun; Pfeifer, Michael; Rekalidou, Galini; Bren, Matevž

2014-01-01

This study investigates the extent to which the factors included in the dynamic model of educational effectiveness are associated with student achievement gains in six different European countries. At classroom level, the dynamic model refers to eight factors relating to teacher behavior in the classroom: orientation, structuring, questioning,…

Computer support for physiological cell modelling using an ontology on cell physiology.

PubMed

Takao, Shimayoshi; Kazuhiro, Komurasaki; Akira, Amano; Takeshi, Iwashita; Masanori, Kanazawa; Tetsuya, Matsuda

2006-01-01

The development of electrophysiological whole cell models to support the understanding of biological mechanisms is increasing rapidly. Due to the complexity of biological systems, comprehensive cell models, which are composed of many imported sub-models of functional elements, can get quite complicated as well, making computer modification difficult. Here, we propose a computer support to enhance structural changes of cell models, employing the markup languages CellML and our original PMSML (physiological model structure markup language), in addition to a new ontology for cell physiological modelling. In particular, a method to make references from CellML files to the ontology and a method to assist manipulation of model structures using markup languages together with the ontology are reported. Using these methods three software utilities, including a graphical model editor, are implemented. Experimental results proved that these methods are effective for the modification of electrophysiological models.

Compression Strength of Composite Primary Structural Components

NASA Technical Reports Server (NTRS)

Johnson, Eric R.

1998-01-01

Research conducted under NASA Grant NAG-1-537 focussed on the response and failure of advanced composite material structures for application to aircraft. Both experimental and analytical methods were utilized to study the fundamental mechanics of the response and failure of selected structural components subjected to quasi-static loads. Most of the structural components studied were thin-walled elements subject to compression, such that they exhibited buckling and postbuckling responses prior to catastrophic failure. Consequently, the analyses were geometrically nonlinear. Structural components studied were dropped-ply laminated plates, stiffener crippling, pressure pillowing of orthogonally stiffened cylindrical shells, axisymmetric response of pressure domes, and the static crush of semi-circular frames. Failure of these components motivated analytical studies on an interlaminar stress postprocessor for plate and shell finite element computer codes, and global/local modeling strategies in finite element modeling. These activities are summarized in the following section. References to literature published under the grant are listed on pages 5 to 10 by a letter followed by a number under the categories of journal publications, conference publications, presentations, and reports. These references are indicated in the text by their letter and number as a superscript.

Ice interaction with offshore structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cammaert, A.B.; Muggeridge, D.B.

1988-01-01

Oil platforms and other offshore structures being built in the arctic regions must be able to withstand icebergs, ice islands, and pack ice. This reference explain the effect ice has on offshore structures and demonstrates design and construction methods that allow such structures to survive in harsh, ice-ridden environments. It analyzes the characteristics of sea ice as well as dynamic ice forces on structures. Techniques for ice modeling and field testing facilitate the design and construction of sturdy, offshore constructions. Computer programs included.

A method for using real world data in breast cancer modeling.

PubMed

Pobiruchin, Monika; Bochum, Sylvia; Martens, Uwe M; Kieser, Meinhard; Schramm, Wendelin

2016-04-01

Today, hospitals and other health care-related institutions are accumulating a growing bulk of real world clinical data. Such data offer new possibilities for the generation of disease models for the health economic evaluation. In this article, we propose a new approach to leverage cancer registry data for the development of Markov models. Records of breast cancer patients from a clinical cancer registry were used to construct a real world data driven disease model. We describe a model generation process which maps database structures to disease state definitions based on medical expert knowledge. Software was programmed in Java to automatically derive a model structure and transition probabilities. We illustrate our method with the reconstruction of a published breast cancer reference model derived primarily from clinical study data. In doing so, we exported longitudinal patient data from a clinical cancer registry covering eight years. The patient cohort (n=892) comprised HER2-positive and HER2-negative women treated with or without Trastuzumab. The models generated with this method for the respective patient cohorts were comparable to the reference model in their structure and treatment effects. However, our computed disease models reflect a more detailed picture of the transition probabilities, especially for disease free survival and recurrence. Our work presents an approach to extract Markov models semi-automatically using real world data from a clinical cancer registry. Health care decision makers may benefit from more realistic disease models to improve health care-related planning and actions based on their own data. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Structural Health Monitoring challenges on the 10-MW offshore wind turbine model

NASA Astrophysics Data System (ADS)

Di Lorenzo, E.; Kosova, G.; Musella, U.; Manzato, S.; Peeters, B.; Marulo, F.; Desmet, W.

2015-07-01

The real-time structural damage detection on large slender structures has one of its main application on offshore Horizontal Axis Wind Turbines (HAWT). The renewable energy market is continuously pushing the wind turbine sizes and performances. This is the reason why nowadays offshore wind turbines concepts are going toward a 10 MW reference wind turbine model. The aim of the work is to perform operational analyses on the 10-MW reference wind turbine finite element model using an aeroelastic code in order to obtain long-time-low- cost simulations. The aeroelastic code allows simulating the damages in several ways: by reducing the edgewise/flapwise blades stiffness, by adding lumped masses or considering a progressive mass addiction (i.e. ice on the blades). The damage detection is then performed by means of Operational Modal Analysis (OMA) techniques. Virtual accelerometers are placed in order to simulate real measurements and to estimate the modal parameters. The feasibility of a robust damage detection on the model has been performed on the HAWT model in parked conditions. The situation is much more complicated in case of operating wind turbines because the time periodicity of the structure need to be taken into account. Several algorithms have been implemented and tested in the simulation environment. They are needed in order to carry on a damage detection simulation campaign and develop a feasible real-time damage detection method. In addition to these algorithms, harmonic removal tools are needed in order to dispose of the harmonics due to the rotation.

Comparing a Japanese and a German hospital information system.

PubMed

Jahn, F; Issler, L; Winter, A; Takabayashi, K

2009-01-01

To examine the architectural differences and similarities of a Japanese and German hospital information system (HIS) in a case study. This cross-cultural comparison, which focuses on structural quality characteristics, offers the chance to get new insights into different HIS architectures, which possibly cannot be obtained by inner-country comparisons. A reference model for the domain layer of hospital information systems containing the typical enterprise functions of a hospital provides the basis of comparison for the two different hospital information systems. 3LGM(2) models, which describe the two HISs and which are based on that reference model, are used to assess several structural quality criteria. Four of these criteria are introduced in detail. The two examined HISs are different in terms of the four structural quality criteria examined. Whereas the centralized architecture of the hospital information system at Chiba University Hospital causes only few functional redundancies and leads to a low implementation of communication standards, the hospital information system at the University Hospital of Leipzig, having a decentralized architecture, exhibits more functional redundancies and a higher use of communication standards. Using a model-based comparison, it was possible to detect remarkable differences between the observed hospital information systems of completely different cultural areas. However, the usability of 3LGM(2) models for comparisons has to be improved in order to apply key figures and to assess or benchmark the structural quality of health information systems architectures more thoroughly.

MRAC Control with Prior Model Knowledge for Asymmetric Damaged Aircraft

PubMed Central

Zhang, Jing

2015-01-01

This paper develops a novel state-tracking multivariable model reference adaptive control (MRAC) technique utilizing prior knowledge of plant models to recover control performance of an asymmetric structural damaged aircraft. A modification of linear model representation is given. With prior knowledge on structural damage, a polytope linear parameter varying (LPV) model is derived to cover all concerned damage conditions. An MRAC method is developed for the polytope model, of which the stability and asymptotic error convergence are theoretically proved. The proposed technique reduces the number of parameters to be adapted and thus decreases computational cost and requires less input information. The method is validated by simulations on NASA generic transport model (GTM) with damage. PMID:26180839

Information Object Definition–based Unified Modeling Language Representation of DICOM Structured Reporting

PubMed Central

Tirado-Ramos, Alfredo; Hu, Jingkun; Lee, K.P.

2002-01-01

Supplement 23 to DICOM (Digital Imaging and Communications for Medicine), Structured Reporting, is a specification that supports a semantically rich representation of image and waveform content, enabling experts to share image and related patient information. DICOM SR supports the representation of textual and coded data linked to images and waveforms. Nevertheless, the medical information technology community needs models that work as bridges between the DICOM relational model and open object-oriented technologies. The authors assert that representations of the DICOM Structured Reporting standard, using object-oriented modeling languages such as the Unified Modeling Language, can provide a high-level reference view of the semantically rich framework of DICOM and its complex structures. They have produced an object-oriented model to represent the DICOM SR standard and have derived XML-exchangeable representations of this model using World Wide Web Consortium specifications. They expect the model to benefit developers and system architects who are interested in developing applications that are compliant with the DICOM SR specification. PMID:11751804

Comparison of Kinetic Models for Dual-Tracer Receptor Concentration Imaging in Tumors

PubMed Central

Hamzei, Nazanin; Samkoe, Kimberley S; Elliott, Jonathan T; Holt, Robert W; Gunn, Jason R; Hasan, Tayyaba; Pogue, Brian W; Tichauer, Kenneth M

2014-01-01

Molecular differences between cancerous and healthy tissue have become key targets for novel therapeutics specific to tumor receptors. However, cancer cell receptor expression can vary within and amongst different tumors, making strategies that can quantify receptor concentration in vivo critical for the progression of targeted therapies. Recently a dual-tracer imaging approach capable of providing quantitative measures of receptor concentration in vivo was developed. It relies on the simultaneous injection and imaging of receptor-targeted tracer and an untargeted tracer (to account for non-specific uptake of the targeted tracer). Early implementations of this approach have been structured on existing “reference tissue” imaging methods that have not been optimized for or validated in dual-tracer imaging. Using simulations and mouse tumor model experimental data, the salient findings in this study were that all widely used reference tissue kinetic models can be used for dual-tracer imaging, with the linearized simplified reference tissue model offering a good balance of accuracy and computational efficiency. Moreover, an alternate version of the full two-compartment reference tissue model can be employed accurately by assuming that the K1s of the targeted and untargeted tracers are similar to avoid assuming an instantaneous equilibrium between bound and free states (made by all other models). PMID:25414912

The Swedish strategy and method for development of a national healthcare information architecture.

PubMed

Rosenälv, Jessica; Lundell, Karl-Henrik

2012-01-01

"We need a precise framework of regulations in order to maintain appropriate and structured health care documentation that ensures that the information maintains a sufficient level of quality to be used in treatment, in research and by the actual patient. The users shall be aided by clearly and uniformly defined terms and concepts, and there should be an information structure that clarifies what to document and how to make the information more useful. Most of all, we need to standardize the information, not just the technical systems." (eHälsa - nytta och näring, Riksdag report 2011/12:RFR5, p. 37). In 2010, the Swedish Government adopted the National e-Health - the national strategy for accessible and secure information in healthcare. The strategy is a revision and extension of the previous strategy from 2006, which was used as input for the most recent efforts to develop a national information structure utilizing business-oriented generic models. A national decision on healthcare informatics standards was made by the Swedish County Councils, which decided to follow and use EN/ISO 13606 as a standard for the development of a universally applicable information structure, including archetypes and templates. The overall aim of the Swedish strategy for development of National Healthcare Information Architecture is to achieve high level semantic interoperability for clinical content and clinical contexts. High level semantic interoperability requires consistently structured clinical data and other types of data with coherent traceability to be mapped to reference clinical models. Archetypes that are formal definitions of the clinical and demographic concepts and some administrative data were developed. Each archetype describes the information structure and content of overarching core clinical concepts. Information that is defined in archetypes should be used for different purposes. Generic clinical process model was made concrete and analyzed. For each decision-making step in the process where information is processed, the amount and type of information and its structure were defined in terms of reference templates. Reference templates manage clinical, administrative and demographic types of information in a specific clinical context. Based on a survey of clinical processes at the reference level, the identification of specific clinical processes such as diabetes and congestive heart failure in adults were made. Process-specific templates were defined by using reference templates and populated with information that was relevant to each health problem in a specific clinical context. Throughout this process, medical data for knowledge management were collected for each health problem. Parallel with the efforts to define archetypes and templates, terminology binding work is on-going. Different strategies are used depending on the terminology binding level.

Bounded Linear Stability Analysis - A Time Delay Margin Estimation Approach for Adaptive Control

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.; Ishihara, Abraham K.; Krishnakumar, Kalmanje Srinlvas; Bakhtiari-Nejad, Maryam

2009-01-01

This paper presents a method for estimating time delay margin for model-reference adaptive control of systems with almost linear structured uncertainty. The bounded linear stability analysis method seeks to represent the conventional model-reference adaptive law by a locally bounded linear approximation within a small time window using the comparison lemma. The locally bounded linear approximation of the combined adaptive system is cast in a form of an input-time-delay differential equation over a small time window. The time delay margin of this system represents a local stability measure and is computed analytically by a matrix measure method, which provides a simple analytical technique for estimating an upper bound of time delay margin. Based on simulation results for a scalar model-reference adaptive control system, both the bounded linear stability method and the matrix measure method are seen to provide a reasonably accurate and yet not too conservative time delay margin estimation.

Shuttle derived atmospheric density model. Part 1: Comparisons of the various ambient atmospheric source data with derived parameters from the first twelve STS entry flights, a data package for AOTV atmospheric development

NASA Technical Reports Server (NTRS)

Findlay, J. T.; Kelly, G. M.; Troutman, P. A.

1984-01-01

The ambient atmospheric parameter comparisons versus derived values from the first twelve Space Shuttle Orbiter entry flights are presented. Available flights, flight data products, and data sources utilized are reviewed. Comparisons are presented based on remote meteorological measurements as well as two comprehensive models which incorporate latitudinal and seasonal effects. These are the Air Force 1978 Reference Atmosphere and the Marshall Space Flight Center Global Reference Model (GRAM). Atmospheric structure sensible in the Shuttle flight data is shown and discussed. A model for consideration in Aero-assisted Orbital Transfer Vehicle (AOTV) trajectory analysis, proposed to modify the GRAM data to emulate Shuttle experiments.

Assessment of Required Accuracy of Digital Elevation Data for Hydrologic Modeling

NASA Technical Reports Server (NTRS)

Kenward, T.; Lettenmaier, D. P.

1997-01-01

The effect of vertical accuracy of Digital Elevation Models (DEMs) on hydrologic models is evaluated by comparing three DEMs and resulting hydrologic model predictions applied to a 7.2 sq km USDA - ARS watershed at Mahantango Creek, PA. The high resolution (5 m) DEM was resempled to a 30 m resolution using method that constrained the spatial structure of the elevations to be comparable with the USGS and SIR-C DEMs. This resulting 30 m DEM was used as the reference product for subsequent comparisons. Spatial fields of directly derived quantities, such as elevation differences, slope, and contributing area, were compared to the reference product, as were hydrologic model output fields derived using each of the three DEMs at the common 30 m spatial resolution.

The National Association of School Psychologists' Self-Assessment Tool for School Psychologists: Factor Structure and Relationship to the National Association of School Psychologists' Practice Model

ERIC Educational Resources Information Center

Eklund, Katie; Rossen, Eric; Charvat, Jeff; Meyer, Lauren; Tanner, Nick

2016-01-01

The National Association of School Psychologists' Model for Comprehensive and Integrated School Psychological Services (2010a), often referred to as the National Association of School Psychologists' Practice Model, describes the comprehensive range of professional skills and competencies available from school psychologists across 10 domains. The…

Structural Limitations of Model Reference Adaptive Controllers

DTIC Science & Technology

1989-04-01

Global Uncertainty CkpVps)I4(s) kWVh(s) In [3) a design rule similar the one studied heme Dps(ms+Cs)V~)Ds = s (4) (ectly the samne when n-m--l) was...Ir represent the under the uncertainty indicated by ES and Eu. output of this structured singular value analysis, p: is an Defint 6: The Design

Dimensionality of the Latent Structure and Item Selection via Latent Class Multidimensional IRT Models

ERIC Educational Resources Information Center

Bartolucci, F.; Montanari, G. E.; Pandolfi, S.

2012-01-01

With reference to a questionnaire aimed at assessing the performance of Italian nursing homes on the basis of the health conditions of their patients, we investigate two relevant issues: dimensionality of the latent structure and discriminating power of the items composing the questionnaire. The approach is based on a multidimensional item…

Modified chloride diffusion model for concrete under the coupling effect of mechanical load and chloride salt environment

NASA Astrophysics Data System (ADS)

Lei, Mingfeng; Lin, Dayong; Liu, Jianwen; Shi, Chenghua; Ma, Jianjun; Yang, Weichao; Yu, Xiaoniu

2018-03-01

For the purpose of investigating lining concrete durability, this study derives a modified chloride diffusion model for concrete based on the odd continuation of boundary conditions and Fourier transform. In order to achieve this, the linear stress distribution on a sectional structure is considered, detailed procedures and methods are presented for model verification and parametric analysis. Simulation results show that the chloride diffusion model can reflect the effects of linear stress distribution of the sectional structure on the chloride diffusivity with reliable accuracy. Along with the natural environmental characteristics of practical engineering structures, reference value ranges of model parameters are provided. Furthermore, a chloride diffusion model is extended for the consideration of multi-factor coupling of linear stress distribution, chloride concentration and diffusion time. Comparison between model simulation and typical current research results shows that the presented model can produce better considerations with a greater universality.

Psychometric properties of the multidimensional perfectionism scale of Hewitt in a dutch-speaking sample: associations with the big five personality traits.

PubMed

De Cuyper, Kathleen; Claes, Laurence; Hermans, Dirk; Pieters, Guido; Smits, Dirk

2015-01-01

We administered the Dutch Multidimensional Perfectionism Scale of Hewitt and Flett (1991, 2004) in a large student sample (N = 959) and performed a confirmatory factor analysis to test the factorial structure proposed by the original authors. The existence of a method factor referring to the negatively keyed items in the questionnaire was investigated by including it in the tested models. Next, we investigated how the 3 perfectionism dimensions are associated with the Five-factor model (FFM) of personality. The 3-factor structure originally observed by the authors was confirmed, at least when a method factor that refers to the negatively keyed items was included in the model. Self-oriented and socially prescribed perfectionism were both distinguished by low extraversion and low emotional stability. Self-oriented perfectionism's positive relationship with both conscientiousness and openness to experience differentiated the 2 perfectionism dimensions from each other. Other-oriented perfectionism was not well-characterized by the Big Five personality traits.

Fatigue Technology Assessment and Strategies for Fatigue Avoidance in Marine Structures

DTIC Science & Technology

1992-06-01

time history. xii MODELING ERROR (Xme) : Typically defined as the ratio of actual behavior of the structure to the one predicted by the model. It is...and temperature changes may be important to fatigue in a local component, these loadings are not a major concern in the global behavior of typical...Reference 3.1) to assess fracture behavior in a low toughness HAZ indicated that a small low- toughness area in the HAZ can be masked by the higher

[Case mix analysis of patients who can be referred from emergency department triage to primary care].

PubMed

Gómez-Jiménez, Josep; Becerra, Oscar; Boneu, Francisco; Burgués, Lluís; Pàmies, Salvador

2006-01-01

Structured emergency department (ED) triage scales can be used to develop patient referral strategies from the ED to primary care. The objectives of the present study were to evaluate the percentage of patients who could potentially be referred from triage to primary care and to describe their clinical characteristics. We analyzed all patients with low acuity (triage levels IV and V) and low complexity (patients discharged from the ED) triaged during 2003 with the Andorran Triage Model in the ED and estimated the percentage of patients who could potentially be referred on the basis of three primary care models: A, centers unable to deal with emergencies or perform complementary investigations; B, centers able to deal with emergencies and perform complementary investigations, and C, centers able to deal with emergencies but unable to perform complementary investigations. Of the 25,319 patients included in the study, 5.63% could be referred to model A, 75.22% to model B and 33.36% to model C. A total of 81.04% of these model C patients were classified in seven symptomatic categories: wounds and traumatisms, inflammation or fever, pediatric problems, rhinolaryngological infection or alterations, ocular symptoms, pain and cutaneous allergy or reactions. Casemix analysis, based on the level of acuity and discharge criteria, can be used to establish the percentage of patients that could potentially be referred to primary care. Analysis of their clinical profile is useful to design referral protocols.

Syntactic Approach To Geometric Surface Shell Determination

NASA Astrophysics Data System (ADS)

DeGryse, Donald G.; Panton, Dale J.

1980-12-01

Autonomous terminal homing of a smart missile requires a stored reference scene of the target for which the missle is destined. The reference scene is produced from stereo source imagery by deriving a three-dimensional model containing cultural structures such as buildings, towers, bridges, and tanks. This model is obtained by the precise matching of cultural features from one image of the stereo pair to the other. In the past, this stereo matching process has relied heavily on local edge operators and a gray scale matching metric. The processing is performed line by line over the imagery and the amount of geometric control is minimal. As a result, the gross structure of the scene is determined but the derived three-dimensional data is noisy, oscillatory, and at times significantly inaccurate. This paper discusses new concepts that are currently being developed to stabilize this geometric reference preparation process. The new concepts involve the use of a structural syntax which will be used as a geometric constraint on automatic stereo matching. The syntax arises from the stereo configuration of the imaging platforms at the time of exposure and the knowledge of how various cultural structures are constructed. The syntax is used to parse a scene in terms of its cultural surfaces and to dictate to the matching process the allowable relative positions and orientations of surface edges in the image planes. Using the syntax, extensive searches using a gray scale matching metric are reduced.

Mental Visualization of Objects from Cross-Sectional Images

ERIC Educational Resources Information Center

Wu, Bing; Klatzky, Roberta L.; Stetten, George D.

2012-01-01

We extended the classic anorthoscopic viewing procedure to test a model of visualization of 3D structures from 2D cross-sections. Four experiments were conducted to examine key processes described in the model, localizing cross-sections within a common frame of reference and spatiotemporal integration of cross sections into a hierarchical object…

Normalization Regression Estimation With Application to a Nonorthogonal, Nonrecursive Model of School Learning.

ERIC Educational Resources Information Center

Bulcock, J. W.; And Others

Advantages of normalization regression estimation over ridge regression estimation are demonstrated by reference to Bloom's model of school learning. Theoretical concern centered on the structure of scholastic achievement at grade 10 in Canadian high schools. Data on 886 students were randomly sampled from the Carnegie Human Resources Data Bank.…

Model of Distributed Learning Objects Repository for a Heterogenic Internet Environment

ERIC Educational Resources Information Center

Kaczmarek, Jerzy; Landowska, Agnieszka

2006-01-01

In this article, an extension of the existing structure of learning objects is described. The solution addresses the problem of the access and discovery of educational resources in the distributed Internet environment. An overview of e-learning standards, reference models, and problems with educational resources delivery is presented. The paper…

ARMA models for earthquake ground motions. Seismic safety margins research program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, M. K.; Kwiatkowski, J. W.; Nau, R. F.

1981-02-01

Four major California earthquake records were analyzed by use of a class of discrete linear time-domain processes commonly referred to as ARMA (Autoregressive/Moving-Average) models. It was possible to analyze these different earthquakes, identify the order of the appropriate ARMA model(s), estimate parameters, and test the residuals generated by these models. It was also possible to show the connections, similarities, and differences between the traditional continuous models (with parameter estimates based on spectral analyses) and the discrete models with parameters estimated by various maximum-likelihood techniques applied to digitized acceleration data in the time domain. The methodology proposed is suitable for simulatingmore » earthquake ground motions in the time domain, and appears to be easily adapted to serve as inputs for nonlinear discrete time models of structural motions. 60 references, 19 figures, 9 tables.« less

Towards Complete, Geo-Referenced 3d Models from Crowd-Sourced Amateur Images

NASA Astrophysics Data System (ADS)

Hartmann, W.; Havlena, M.; Schindler, K.

2016-06-01

Despite a lot of recent research, photogrammetric reconstruction from crowd-sourced imagery is plagued by a number of recurrent problems. (i) The resulting models are chronically incomplete, because even touristic landmarks are photographed mostly from a few "canonical" viewpoints. (ii) Man-made constructions tend to exhibit repetitive structure and rotational symmetries, which lead to gross errors in the 3D reconstruction and aggravate the problem of incomplete reconstruction. (iii) The models are normally not geo-referenced. In this paper, we investigate the possibility of using sparse GNSS geo-tags from digital cameras to address these issues and push the boundaries of crowd-sourced photogrammetry. A small proportion of the images in Internet collections (≍ 10 %) do possess geo-tags. While the individual geo-tags are very inaccurate, they nevertheless can help to address the problems above. By providing approximate geo-reference for partial reconstructions they make it possible to fuse those pieces into more complete models; the capability to fuse partial reconstruction opens up the possibility to be more restrictive in the matching phase and avoid errors due to repetitive structure; and collectively, the redundant set of low-quality geo-tags can provide reasonably accurate absolute geo-reference. We show that even few, noisy geo-tags can help to improve architectural models, compared to puristic structure-from-motion only based on image correspondence.

Methodology to assess and map the potential development of forest ecosystems exposed to climate change and atmospheric nitrogen deposition: A pilot study in Germany.

PubMed

Schröder, Winfried; Nickel, Stefan; Jenssen, Martin; Riediger, Jan

2015-07-15

A methodology for mapping ecosystems and their potential development under climate change and atmospheric nitrogen deposition was developed using examples from Germany. The methodology integrated data on vegetation, soil, climate change and atmospheric nitrogen deposition. These data were used to classify ecosystem types regarding six ecological functions and interrelated structures. Respective data covering 1961-1990 were used for reference. The assessment of functional and structural integrity relies on comparing a current or future state with an ecosystem type-specific reference. While current functions and structures of ecosystems were quantified by measurements, potential future developments were projected by geochemical soil modelling and data from a regional climate change model. The ecosystem types referenced the potential natural vegetation and were mapped using data on current tree species coverage and land use. In this manner, current ecosystem types were derived, which were related to data on elevation, soil texture, and climate for the years 1961-1990. These relations were quantified by Classification and Regression Trees, which were used to map the spatial patterns of ecosystem type clusters for 1961-1990. The climate data for these years were subsequently replaced by the results of a regional climate model for 1991-2010, 2011-2040, and 2041-2070. For each of these periods, one map of ecosystem type clusters was produced and evaluated with regard to the development of areal coverage of ecosystem type clusters over time. This evaluation of the structural aspects of ecological integrity at the national level was added by projecting potential future values of indicators for ecological functions at the site level by using the Very Simple Dynamic soil modelling technique based on climate data and two scenarios of nitrogen deposition as input. The results were compared to the reference and enabled an evaluation of site-specific ecosystem changes over time which proved to be both, positive and negative. Copyright © 2015 Elsevier B.V. All rights reserved.

Building a reference functional model for EHR systems.

PubMed

Sumita, Yuki; Takata, Mami; Ishitsuka, Keiju; Tominaga, Yasuyuki; Ohe, Kazuhiko

2007-09-01

Our aim was to develop a reference functional model for electric health record systems (RFM). Such a RFM is built from functions using functional descriptive elements (FDEs) and represents the static relationships between them. This paper presents a new format for describing electric health record (EHR) system functions. Questionnaire and field interview survey was conducted in five hospitals in Japan and one in the USA, to collect data on EHR system functions. Based on survey results, a reference functional list (RFL) was created, in which each EHR system function was listed and divided into 13 FDE types. By analyzing the RFL, we built the meta-functional model and the functional model using UML class diagrams. The former defines language for expressing the functional model, while the latter represents functions, FDEs and their static relationships. A total of 385 functions were represented in the RFL. Six patterns were found for the relationships between functions. The meta-functional model was created as a new format for describing functions. Examples of the functional model, which included the six patterns in the relationships between functions and 11 verbs, were created. We present the meta-functional model, which is a new description format for the functional structure and relationships. Although a more detailed description is required to apply the RFM to the semiautomatic generation of functional specification documents, our RFM can visualize functional structures and functional relationships, classify functions using multiple axes and identify the similarities and differences between functions. The RFM will promote not only the standardization of EHR systems, but also communications between system developers and healthcare providers in the EHR system-design processes. 2006 Elsevier Ireland Ltd

Probing Mantle Heterogeneity Across Spatial Scales

NASA Astrophysics Data System (ADS)

Hariharan, A.; Moulik, P.; Lekic, V.

2017-12-01

Inferences of mantle heterogeneity in terms of temperature, composition, grain size, melt and crystal structure may vary across local, regional and global scales. Probing these scale-dependent effects require quantitative comparisons and reconciliation of tomographic models that vary in their regional scope, parameterization, regularization and observational constraints. While a range of techniques like radial correlation functions and spherical harmonic analyses have revealed global features like the dominance of long-wavelength variations in mantle heterogeneity, they have limited applicability for specific regions of interest like subduction zones and continental cratons. Moreover, issues like discrepant 1-D reference Earth models and related baseline corrections have impeded the reconciliation of heterogeneity between various regional and global models. We implement a new wavelet-based approach that allows for structure to be filtered simultaneously in both the spectral and spatial domain, allowing us to characterize heterogeneity on a range of scales and in different geographical regions. Our algorithm extends a recent method that expanded lateral variations into the wavelet domain constructed on a cubed sphere. The isolation of reference velocities in the wavelet scaling function facilitates comparisons between models constructed with arbitrary 1-D reference Earth models. The wavelet transformation allows us to quantify the scale-dependent consistency between tomographic models in a region of interest and investigate the fits to data afforded by heterogeneity at various dominant wavelengths. We find substantial and spatially varying differences in the spectrum of heterogeneity between two representative global Vp models constructed using different data and methodologies. Applying the orthonormality of the wavelet expansion, we isolate detailed variations in velocity from models and evaluate additional fits to data afforded by adding such complexities to long-wavelength variations. Our method provides a way to probe and evaluate localized features in a multi-scale description of mantle heterogeneity.

Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris haemoglobin.

PubMed

Afanasyev, Pavel; Seer-Linnemayr, Charlotte; Ravelli, Raimond B G; Matadeen, Rishi; De Carlo, Sacha; Alewijnse, Bart; Portugal, Rodrigo V; Pannu, Navraj S; Schatz, Michael; van Heel, Marin

2017-09-01

Single-particle cryogenic electron microscopy (cryo-EM) can now yield near-atomic resolution structures of biological complexes. However, the reference-based alignment algorithms commonly used in cryo-EM suffer from reference bias, limiting their applicability (also known as the 'Einstein from random noise' problem). Low-dose cryo-EM therefore requires robust and objective approaches to reveal the structural information contained in the extremely noisy data, especially when dealing with small structures. A reference-free pipeline is presented for obtaining near-atomic resolution three-dimensional reconstructions from heterogeneous ('four-dimensional') cryo-EM data sets. The methodologies integrated in this pipeline include a posteriori camera correction, movie-based full-data-set contrast transfer function determination, movie-alignment algorithms, (Fourier-space) multivariate statistical data compression and unsupervised classification, 'random-startup' three-dimensional reconstructions, four-dimensional structural refinements and Fourier shell correlation criteria for evaluating anisotropic resolution. The procedures exclusively use information emerging from the data set itself, without external 'starting models'. Euler-angle assignments are performed by angular reconstitution rather than by the inherently slower projection-matching approaches. The comprehensive 'ABC-4D' pipeline is based on the two-dimensional reference-free 'alignment by classification' (ABC) approach, where similar images in similar orientations are grouped by unsupervised classification. Some fundamental differences between X-ray crystallography versus single-particle cryo-EM data collection and data processing are discussed. The structure of the giant haemoglobin from Lumbricus terrestris at a global resolution of ∼3.8 Å is presented as an example of the use of the ABC-4D procedure.

Anisotropic tomography of the European lithospheric structure from surface wave studies

NASA Astrophysics Data System (ADS)

Nita, Blanka; Maurya, Satish; Montagner, Jean-Paul

2016-06-01

We present continental-scale seismic isotropic and anisotropic imaging of shear wave upper-mantle structure of tectonically diversified terranes creating the European continent. Taking into account the 36-200 s period range of surface waves enables us to model the deep subcontinental structure at different vertical scale-lengths down to 300 km. After very strict quality selection criteria, we have obtained phase wave speeds at different periods for fundamental Rayleigh and Love modes from about 9000 three-component seismograms. Dispersion measurements are performed by using Fourier-domain waveform inversion technique named "roller-coaster-type" algorithm. We used the reference model with a varying average crustal structure for each source-station path. That procedure led to significant improvement of the quality and number of phase wave speed dispersion measurements compared to the common approach of using a reference model with one average crustal structure. Surface wave dispersion data are inverted at depth for retrieving isotropy and anisotropy parameters. The fast axis directions related to azimuthal anisotropy at different depths constitute a rich database for geodynamical interpretations. Shear wave anomalies of the horizontal dimension larger than 200 km are imaged in our models. They correlate with tectonic provinces of varying age-provenance. Different anisotropy patterns are observed along the most distinctive feature on our maps-the bordering zone between the Palaeozoic and Precambrian Europe. We discuss the depth changes of the lithosphere-asthenosphere boundary along the profiles crossing the chosen tectonic units of different origin and age: Fennoscandia, East European Craton, Anatolia, Mediterranean subduction zones. Within the flat and stable cratonic lithosphere, we find traces of the midlithospheric discontinuity.

Episodes of Cross-Polar Transport in the Arctic Troposphere During July 2008 as Seen from Models, Satellite, and Aircraft Observations

NASA Technical Reports Server (NTRS)

Sodemann, H.; Pommier, M.; Arnold, S. R.; Monks, S. A.; Stebel, K.; Burkhart, J. F.; Hair, J. W.; Diskin, G. S.; Clerbaux, C.; Coheur, P.-F.;

A novel structural tree for wrap-proteins, a subclass of (α+β)-proteins.

PubMed

Boshkova, Eugenia A; Gordeev, Alexey B; Efimov, Alexander V

2014-01-01

In this paper, a novel structural subclass of (α+β)-proteins is presented. A characteristic feature of these proteins and domains is that they consist of strongly twisted and coiled β-sheets wrapped around one or two α-helices, so they are referred to here as wrap-proteins. It is shown that overall folds of the wrap-proteins can be obtained by stepwise addition of α-helices and/or β-strands to the strongly twisted and coiled β-hairpin taken as the starting structure in modeling. As a result of modeling, a structural tree for the wrap-proteins was constructed that includes 201 folds of which 49 occur in known nonhomologous proteins.

A Unified Mathematical Definition of Classical Information Retrieval.

ERIC Educational Resources Information Center

Dominich, Sandor

2000-01-01

Presents a unified mathematical definition for the classical models of information retrieval and identifies a mathematical structure behind relevance feedback. Highlights include vector information retrieval; probabilistic information retrieval; and similarity information retrieval. (Contains 118 references.) (Author/LRW)

Up the Beanstalk: An Evolutionary Organizational Structure for Libraries.

ERIC Educational Resources Information Center

Hoadley, Irene B.; Corbin, John

1990-01-01

Presents a functional organizational model for research libraries consisting of six major divisions and subunits: acquisition (buying, borrowing, leasing); organization (records creation, records maintenance); collections (collections management, selection, preservation, special collections and archives); interpretation (reference, instructional…

Toward “optimal” integration of terrestrial biosphere models

DOE PAGES

Schwalm, Christopher R.; Huntzinger, Deborah N.; Fisher, Joshua B.; ...

2015-06-10

Multimodel ensembles (MME) are commonplace in Earth system modeling. Here we perform MME integration using a 10-member ensemble of terrestrial biosphere models (TBMs) from the Multiscale synthesis and Terrestrial Model Intercomparison Project (MsTMIP). We contrast optimal (skill based for present-day carbon cycling) versus naive (one model-one vote) integration. MsTMIP optimal and naive mean land sink strength estimates (-1.16 versus -1.15 Pg C per annum respectively) are statistically indistinguishable. This holds also for grid cell values and extends to gross uptake, biomass, and net ecosystem productivity. TBM skill is similarly indistinguishable. The added complexity of skill-based integration does not materially changemore » MME values. This suggests that carbon metabolism has predictability limits and/or that all models and references are misspecified. Finally, resolving this issue requires addressing specific uncertainty types (initial conditions, structure, and references) and a change in model development paradigms currently dominant in the TBM community.« less

Advances and trends in computational structural mechanics

NASA Technical Reports Server (NTRS)

Noor, A. K.

1986-01-01

Recent developments in computational structural mechanics are reviewed with reference to computational needs for future structures technology, advances in computational models for material behavior, discrete element technology, assessment and control of numerical simulations of structural response, hybrid analysis, and techniques for large-scale optimization. Research areas in computational structural mechanics which have high potential for meeting future technological needs are identified. These include prediction and analysis of the failure of structural components made of new materials, development of computational strategies and solution methodologies for large-scale structural calculations, and assessment of reliability and adaptive improvement of response predictions.

Automated extraction of knowledge for model-based diagnostics

NASA Technical Reports Server (NTRS)

Gonzalez, Avelino J.; Myler, Harley R.; Towhidnejad, Massood; Mckenzie, Frederic D.; Kladke, Robin R.

1990-01-01

The concept of accessing computer aided design (CAD) design databases and extracting a process model automatically is investigated as a possible source for the generation of knowledge bases for model-based reasoning systems. The resulting system, referred to as automated knowledge generation (AKG), uses an object-oriented programming structure and constraint techniques as well as internal database of component descriptions to generate a frame-based structure that describes the model. The procedure has been designed to be general enough to be easily coupled to CAD systems that feature a database capable of providing label and connectivity data from the drawn system. The AKG system is capable of defining knowledge bases in formats required by various model-based reasoning tools.

Integrative structural annotation of de novo RNA-Seq provides an accurate reference gene set of the enormous genome of the onion (Allium cepa L.).

PubMed

Kim, Seungill; Kim, Myung-Shin; Kim, Yong-Min; Yeom, Seon-In; Cheong, Kyeongchae; Kim, Ki-Tae; Jeon, Jongbum; Kim, Sunggil; Kim, Do-Sun; Sohn, Seong-Han; Lee, Yong-Hwan; Choi, Doil

2015-02-01

The onion (Allium cepa L.) is one of the most widely cultivated and consumed vegetable crops in the world. Although a considerable amount of onion transcriptome data has been deposited into public databases, the sequences of the protein-coding genes are not accurate enough to be used, owing to non-coding sequences intermixed with the coding sequences. We generated a high-quality, annotated onion transcriptome from de novo sequence assembly and intensive structural annotation using the integrated structural gene annotation pipeline (ISGAP), which identified 54,165 protein-coding genes among 165,179 assembled transcripts totalling 203.0 Mb by eliminating the intron sequences. ISGAP performed reliable annotation, recognizing accurate gene structures based on reference proteins, and ab initio gene models of the assembled transcripts. Integrative functional annotation and gene-based SNP analysis revealed a whole biological repertoire of genes and transcriptomic variation in the onion. The method developed in this study provides a powerful tool for the construction of reference gene sets for organisms based solely on de novo transcriptome data. Furthermore, the reference genes and their variation described here for the onion represent essential tools for molecular breeding and gene cloning in Allium spp. © The Author 2014. Published by Oxford University Press on behalf of Kazusa DNA Research Institute.

Modelling multimedia teleservices with OSI upper layers framework: Short paper

NASA Astrophysics Data System (ADS)

Widya, I.; Vanrijssen, E.; Michiels, E.

The paper presents the use of the concepts and modelling principles of the Open Systems Interconnection (OSI) upper layers structure in the modelling of multimedia teleservices. It puts emphasis on the revised Application Layer Structure (OSI/ALS). OSI/ALS is an object based reference model which intends to coordinate the development of application oriented services and protocols in a consistent and modular way. It enables the rapid deployment and integrated use of these services. The paper emphasizes further on the nesting structure defined in OSI/ALS which allows the design of scalable and user tailorable/controllable teleservices. OSI/ALS consistent teleservices are moreover implementable on communication platforms of different capabilities. An analysis of distributed multimedia architectures which can be found in the literature, confirms the ability of the OSI/ALS framework to model the interworking functionalities of teleservices.

A comprehensive tool for image-based generation of fetus and pregnant women mesh models for numerical dosimetry studies

NASA Astrophysics Data System (ADS)

Dahdouh, S.; Varsier, N.; Serrurier, A.; De la Plata, J.-P.; Anquez, J.; Angelini, E. D.; Wiart, J.; Bloch, I.

2014-08-01

Fetal dosimetry studies require the development of accurate numerical 3D models of the pregnant woman and the fetus. This paper proposes a 3D articulated fetal growth model covering the main phases of pregnancy and a pregnant woman model combining the utero-fetal structures and a deformable non-pregnant woman body envelope. The structures of interest were automatically or semi-automatically (depending on the stage of pregnancy) segmented from a database of images and surface meshes were generated. By interpolating linearly between fetal structures, each one can be generated at any age and in any position. A method is also described to insert the utero-fetal structures in the maternal body. A validation of the fetal models is proposed, comparing a set of biometric measurements to medical reference charts. The usability of the pregnant woman model in dosimetry studies is also investigated, with respect to the influence of the abdominal fat layer.

Dynamics modeling and adaptive control of flexible manipulators

NASA Technical Reports Server (NTRS)

Sasiadek, J. Z.

1991-01-01

An application of Model Reference Adaptive Control (MRAC) to the position and force control of flexible manipulators and robots is presented. A single-link flexible manipulator is analyzed. The problem was to develop a mathematical model of a flexible robot that is accurate. The objective is to show that the adaptive control works better than 'conventional' systems and is suitable for flexible structure control.

Development of a stock-recruitment model and assessment of biological reference points for the Lake Erie walleye fishery

USGS Publications Warehouse

Zhao, Yingming; Kocovsky, Patrick M.; Madenjian, Charles P.

2013-01-01

We developed an updated stock–recruitment relationship for Lake Erie Walleye Sander vitreus using the Akaike information criterion model selection approach. Our best stock–recruitment relationship was a Ricker spawner–recruit function to which spring warming rate was added as an environmental variable, and this regression model explained 39% of the variability in Walleye recruitment over the 1978 through 2006 year-classes. Thus, most of the variability in Lake Erie Walleye recruitment appeared to be attributable to factors other than spawning stock size and spring warming rate. The abundance of age-0 Gizzard Shad Dorosoma cepedianum, which was an important term in previous models, may still be an important factor for Walleye recruitment, but poorer ability to monitor Gizzard Shad since the late 1990s could have led to that term failing to appear in our best model. Secondly, we used numerical simulation to demonstrate how to use the stock recruitment relationship to characterize the population dynamics (such as stable age structure, carrying capacity, and maximum sustainable yield) and some biological reference points (such as fishing rates at different important biomass or harvest levels) for an age-structured population in a deterministic way.

Quantification of urban structure on building block level utilizing multisensoral remote sensing data

NASA Astrophysics Data System (ADS)

Wurm, Michael; Taubenböck, Hannes; Dech, Stefan

2010-10-01

Dynamics of urban environments are a challenge to a sustainable development. Urban areas promise wealth, realization of individual dreams and power. Hence, many cities are characterized by a population growth as well as physical development. Traditional, visual mapping and updating of urban structure information of cities is a very laborious and cost-intensive task, especially for large urban areas. For this purpose, we developed a workflow for the extraction of the relevant information by means of object-based image classification. In this manner, multisensoral remote sensing data has been analyzed in terms of very high resolution optical satellite imagery together with height information by a digital surface model to retrieve a detailed 3D city model with the relevant land-use / land-cover information. This information has been aggregated on the level of the building block to describe the urban structure by physical indicators. A comparison between the indicators derived by the classification and a reference classification has been accomplished to show the correlation between the individual indicators and a reference classification of urban structure types. The indicators have been used to apply a cluster analysis to group the individual blocks into similar clusters.

Theoretical relationship between vibration transmissibility and driving-point response functions of the human body.

PubMed

Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W; Wu, John Z

2013-11-25

The relationship between the vibration transmissibility and driving-point response functions (DPRFs) of the human body is important for understanding vibration exposures of the system and for developing valid models. This study identified their theoretical relationship and demonstrated that the sum of the DPRFs can be expressed as a linear combination of the transmissibility functions of the individual mass elements distributed throughout the system. The relationship is verified using several human vibration models. This study also clarified the requirements for reliably quantifying transmissibility values used as references for calibrating the system models. As an example application, this study used the developed theory to perform a preliminary analysis of the method for calibrating models using both vibration transmissibility and DPRFs. The results of the analysis show that the combined method can theoretically result in a unique and valid solution of the model parameters, at least for linear systems. However, the validation of the method itself does not guarantee the validation of the calibrated model, because the validation of the calibration also depends on the model structure and the reliability and appropriate representation of the reference functions. The basic theory developed in this study is also applicable to the vibration analyses of other structures.

Hispanic ethnicity and Caucasian race: Relations with posttraumatic stress disorder's factor structure in clinic-referred youth.

PubMed

Contractor, Ateka A; Claycomb, Meredith A; Byllesby, Brianna M; Layne, Christopher M; Kaplow, Julie B; Steinberg, Alan M; Elhai, Jon D

2015-09-01

The severity of posttraumatic stress disorder (PTSD) symptoms is linked to race and ethnicity, albeit with contradictory findings (reviewed in Alcántara, Casement, & Lewis-Fernández, 2013; Pole, Gone, & Kulkarni, 2008). We systematically examined Caucasian (n = 3,767) versus non-Caucasian race (n = 2,824) and Hispanic (n = 2,395) versus non-Hispanic ethnicity (n = 3,853) as candidate moderators of PTSD's 5-factor model structural parameters (Elhai et al., 2013). The sample was drawn from the National Child Traumatic Stress Network's Core Data Set, currently the largest national data set of clinic-referred children and adolescents exposed to potentially traumatic events. Using confirmatory factor analysis, we tested the invariance of PTSD symptom structural parameters by race and ethnicity. Chi-square difference tests and goodness-of-fit values showed statistical equivalence across racial and ethnic groups in the factor structure of PTSD and in mean item-level indicators of PTSD symptom severity. Results support the structural invariance of PTSD's 5-factor model across the compared racial and ethnic groups. Furthermore, results indicated equivalent item-level severity across racial and ethnic groups; this supports the use of item-level comparisons across these groups. (c) 2015 APA, all rights reserved).

Frequency analysis of a two-stage planetary gearbox using two different methodologies

NASA Astrophysics Data System (ADS)

Feki, Nabih; Karray, Maha; Khabou, Mohamed Tawfik; Chaari, Fakher; Haddar, Mohamed

2017-12-01

This paper is focused on the characterization of the frequency content of vibration signals issued from a two-stage planetary gearbox. To achieve this goal, two different methodologies are adopted: the lumped-parameter modeling approach and the phenomenological modeling approach. The two methodologies aim to describe the complex vibrations generated by a two-stage planetary gearbox. The phenomenological model describes directly the vibrations as measured by a sensor fixed outside the fixed ring gear with respect to an inertial reference frame, while results from a lumped-parameter model are referenced with respect to a rotating frame and then transferred into an inertial reference frame. Two different case studies of the two-stage planetary gear are adopted to describe the vibration and the corresponding spectra using both models. Each case presents a specific geometry and a specific spectral structure.

Electronic Structures of Anti-Ferromagnetic Tetraradicals: Ab Initio and Semi-Empirical Studies.

PubMed

Zhang, Dawei; Liu, Chungen

2016-04-12

The energy relationships and electronic structures of the lowest-lying spin states in several anti-ferromagnetic tetraradical model systems are studied with high-level ab initio and semi-empirical methods. The Full-CI method (FCI), the complete active space second-order perturbation theory (CASPT2), and the n-electron valence state perturbation theory (NEVPT2) are employed to obtain reference results. By comparing the energy relationships predicted from the Heisenberg and Hubbard models with ab initio benchmarks, the accuracy of the widely used Heisenberg model for anti-ferromagnetic spin-coupling in low-spin polyradicals is cautiously tested in this work. It is found that the strength of electron correlation (|U/t|) concerning anti-ferromagnetically coupled radical centers could range widely from strong to moderate correlation regimes and could become another degree of freedom besides the spin multiplicity. Accordingly, the Heisenberg-type model works well in the regime of strong correlation, which reproduces well the energy relationships along with the wave functions of all the spin states. In moderately spin-correlated tetraradicals, the results of the prototype Heisenberg model deviate severely from those of multi-reference electron correlation ab initio methods, while the extended Heisenberg model, containing four-body terms, can introduce reasonable corrections and maintains its accuracy in this condition. In the weak correlation regime, both the prototype Heisenberg model and its extended forms containing higher-order correction terms will encounter difficulties. Meanwhile, the Hubbard model shows balanced accuracy from strong to weak correlation cases and can reproduce qualitatively correct electronic structures, which makes it more suitable for the study of anti-ferromagnetic coupling in polyradical systems.

Integrated Modeling Activities for the James Webb Space Telescope: Structural-Thermal-Optical Analysis

NASA Technical Reports Server (NTRS)

Johnston, John D.; Howard, Joseph M.; Mosier, Gary E.; Parrish, Keith A.; McGinnis, Mark A.; Bluth, Marcel; Kim, Kevin; Ha, Kong Q.

2004-01-01

The James Web Space Telescope (JWST) is a large, infrared-optimized space telescope scheduled for launch in 2011. This is a continuation of a series of papers on modeling activities for JWST. The structural-thermal-optical, often referred to as STOP, analysis process is used to predict the effect of thermal distortion on optical performance. The benchmark STOP analysis for JWST assesses the effect of an observatory slew on wavefront error. Temperatures predicted using geometric and thermal math models are mapped to a structural finite element model in order to predict thermally induced deformations. Motions and deformations at optical surfaces are then input to optical models, and optical performance is predicted using either an optical ray trace or a linear optical analysis tool. In addition to baseline performance predictions, a process for performing sensitivity studies to assess modeling uncertainties is described.

The Collinearity Free and Bias Reduced Regression Estimation Project: The Theory of Normalization Ridge Regression. Report No. 2.

ERIC Educational Resources Information Center

Bulcock, J. W.; And Others

Multicollinearity refers to the presence of highly intercorrelated independent variables in structural equation models, that is, models estimated by using techniques such as least squares regression and maximum likelihood. There is a problem of multicollinearity in both the natural and social sciences where theory formulation and estimation is in…

Lexico-Semantic Structure and the Word-Frequency Effect in Recognition Memory

ERIC Educational Resources Information Center

Monaco, Joseph D.; Abbott, L. F.; Kahana, Michael J.

2007-01-01

The word-frequency effect (WFE) in recognition memory refers to the finding that more rare words are better recognized than more common words. We demonstrate that a familiarity-discrimination model operating on data from a semantic word-association space yields a robust WFE in data on both hit rates and false-alarm rates. Our modeling results…

AmapSim: a structural whole-plant simulator based on botanical knowledge and designed to host external functional models.

PubMed

Barczi, Jean-François; Rey, Hervé; Caraglio, Yves; de Reffye, Philippe; Barthélémy, Daniel; Dong, Qiao Xue; Fourcaud, Thierry

2008-05-01

AmapSim is a tool that implements a structural plant growth model based on a botanical theory and simulates plant morphogenesis to produce accurate, complex and detailed plant architectures. This software is the result of more than a decade of research and development devoted to plant architecture. New advances in the software development have yielded plug-in external functions that open up the simulator to functional processes. The simulation of plant topology is based on the growth of a set of virtual buds whose activity is modelled using stochastic processes. The geometry of the resulting axes is modelled by simple descriptive functions. The potential growth of each bud is represented by means of a numerical value called physiological age, which controls the value for each parameter in the model. The set of possible values for physiological ages is called the reference axis. In order to mimic morphological and architectural metamorphosis, the value allocated for the physiological age of buds evolves along this reference axis according to an oriented finite state automaton whose occupation and transition law follows a semi-Markovian function. Simulations were performed on tomato plants to demonstrate how the AmapSim simulator can interface external modules, e.g. a GREENLAB growth model and a radiosity model. The algorithmic ability provided by AmapSim, e.g. the reference axis, enables unified control to be exercised over plant development parameter values, depending on the biological process target: how to affect the local pertinent process, i.e. the pertinent parameter(s), while keeping the rest unchanged. This opening up to external functions also offers a broadened field of applications and thus allows feedback between plant growth and the physical environment.

AmapSim: A Structural Whole-plant Simulator Based on Botanical Knowledge and Designed to Host External Functional Models

PubMed Central

Barczi, Jean-François; Rey, Hervé; Caraglio, Yves; de Reffye, Philippe; Barthélémy, Daniel; Dong, Qiao Xue; Fourcaud, Thierry

2008-01-01

Background and Aims AmapSim is a tool that implements a structural plant growth model based on a botanical theory and simulates plant morphogenesis to produce accurate, complex and detailed plant architectures. This software is the result of more than a decade of research and development devoted to plant architecture. New advances in the software development have yielded plug-in external functions that open up the simulator to functional processes. Methods The simulation of plant topology is based on the growth of a set of virtual buds whose activity is modelled using stochastic processes. The geometry of the resulting axes is modelled by simple descriptive functions. The potential growth of each bud is represented by means of a numerical value called physiological age, which controls the value for each parameter in the model. The set of possible values for physiological ages is called the reference axis. In order to mimic morphological and architectural metamorphosis, the value allocated for the physiological age of buds evolves along this reference axis according to an oriented finite state automaton whose occupation and transition law follows a semi-Markovian function. Key Results Simulations were performed on tomato plants to demostrate how the AmapSim simulator can interface external modules, e.g. a GREENLAB growth model and a radiosity model. Conclusions The algorithmic ability provided by AmapSim, e.g. the reference axis, enables unified control to be exercised over plant development parameter values, depending on the biological process target: how to affect the local pertinent process, i.e. the pertinent parameter(s), while keeping the rest unchanged. This opening up to external functions also offers a broadened field of applications and thus allows feedback between plant growth and the physical environment. PMID:17766310

Improved structural pricing model for the fair market price of Sukuk Ijarah in Indonesia

NASA Astrophysics Data System (ADS)

Rosadi, D.; Muslim

2017-12-01

Shariah financial products are currently developing in Indonesia financial market. One of the most important products is called as Sukuk which is commonly referred to as "sharia compliant" bonds. The type of Sukuk that have been widely traded in Indonesia until now are Sukuk Ijarah and Sukuk Mudharabah. In [1], we discuss various models for the price of the fixed-non-callable Sukuk Ijarah and provide the empirical studies using data from Indonesia Bonds market. We found that the structural model considered in [1] cannot model the market price empirically well. In this paper, we consider the improved model and show that it performs well for modelling the fair market price of Sukuk Ijarah.

Homology modeling a fast tool for drug discovery: current perspectives.

PubMed

Vyas, V K; Ukawala, R D; Ghate, M; Chintha, C

2012-01-01

Major goal of structural biology involve formation of protein-ligand complexes; in which the protein molecules act energetically in the course of binding. Therefore, perceptive of protein-ligand interaction will be very important for structure based drug design. Lack of knowledge of 3D structures has hindered efforts to understand the binding specificities of ligands with protein. With increasing in modeling software and the growing number of known protein structures, homology modeling is rapidly becoming the method of choice for obtaining 3D coordinates of proteins. Homology modeling is a representation of the similarity of environmental residues at topologically corresponding positions in the reference proteins. In the absence of experimental data, model building on the basis of a known 3D structure of a homologous protein is at present the only reliable method to obtain the structural information. Knowledge of the 3D structures of proteins provides invaluable insights into the molecular basis of their functions. The recent advances in homology modeling, particularly in detecting and aligning sequences with template structures, distant homologues, modeling of loops and side chains as well as detecting errors in a model contributed to consistent prediction of protein structure, which was not possible even several years ago. This review focused on the features and a role of homology modeling in predicting protein structure and described current developments in this field with victorious applications at the different stages of the drug design and discovery.

Homology Modeling a Fast Tool for Drug Discovery: Current Perspectives

PubMed Central

Vyas, V. K.; Ukawala, R. D.; Ghate, M.; Chintha, C.

2012-01-01

Major goal of structural biology involve formation of protein-ligand complexes; in which the protein molecules act energetically in the course of binding. Therefore, perceptive of protein-ligand interaction will be very important for structure based drug design. Lack of knowledge of 3D structures has hindered efforts to understand the binding specificities of ligands with protein. With increasing in modeling software and the growing number of known protein structures, homology modeling is rapidly becoming the method of choice for obtaining 3D coordinates of proteins. Homology modeling is a representation of the similarity of environmental residues at topologically corresponding positions in the reference proteins. In the absence of experimental data, model building on the basis of a known 3D structure of a homologous protein is at present the only reliable method to obtain the structural information. Knowledge of the 3D structures of proteins provides invaluable insights into the molecular basis of their functions. The recent advances in homology modeling, particularly in detecting and aligning sequences with template structures, distant homologues, modeling of loops and side chains as well as detecting errors in a model contributed to consistent prediction of protein structure, which was not possible even several years ago. This review focused on the features and a role of homology modeling in predicting protein structure and described current developments in this field with victorious applications at the different stages of the drug design and discovery. PMID:23204616

Tribute to the contribution of Gerard Lallenment to structural dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Los Alamos National Laboratory

The Society for Experimental Mechanics and the International Modal Analysis Conference recognize the remarkable contribution to experimental mechanics, mechanical engineering and structural dynamics of Professor Gerard Lallement, from the University of Franche-Comte, France. A special session is organized during the IMAC-XX to outline the many achievements of Gerard Lallement in the fields of modal analysis, structural system identification, the theory and practice of structural modification, component mode synthesis and finite element model updating. The purpose of this publication is not to provide an exhaustive account of Gerard Lallement's contribution to structural dynamics. Numerous references are provided that should help themore » interested reader learn more about the many aspects of his work. Instead, the significance of this work is illustrated by discussing the role of structural dynamics in industrial applications and its future challenges. The technical aspects of Gerard Lallement's work are illustrated with a discussion of structural modification, modeling error localization and model updating.« less

A Qualitative Investigation of Undergraduate Chemistry Students' Macroscopic Interpretations of the Submicroscopic Structure of Molecules.

ERIC Educational Resources Information Center

Nicoll, Gayle

2003-01-01

Reports research that investigates the encoding that students use to develop molecular models at the undergraduate level. Focuses on the translation between symbolic and subatomic representations of molecules. (Contains 31 references.) (DDR)

An approach for modeling thermal destruction of hazardous wastes in circulating fluidized bed incinerator.

PubMed

Patil, M P; Sonolikar, R L

2008-10-01

This paper presents a detailed computational fluid dynamics (CFD) based approach for modeling thermal destruction of hazardous wastes in a circulating fluidized bed (CFB) incinerator. The model is based on Eular - Lagrangian approach in which gas phase (continuous phase) is treated in a Eularian reference frame, whereas the waste particulate (dispersed phase) is treated in a Lagrangian reference frame. The reaction chemistry hasbeen modeled through a mixture fraction/ PDF approach. The conservation equations for mass, momentum, energy, mixture fraction and other closure equations have been solved using a general purpose CFD code FLUENT4.5. Afinite volume method on a structured grid has been used for solution of governing equations. The model provides detailed information on the hydrodynamics (gas velocity, particulate trajectories), gas composition (CO, CO2, O2) and temperature inside the riser. The model also allows different operating scenarios to be examined in an efficient manner.

Towards a cell-based mechanostat theory of bone: the need to account for osteocyte desensitisation and osteocyte replacement.

PubMed

Lerebours, Chloé; Buenzli, Pascal R

2016-09-06

Bone׳s mechanostat theory describes the adaptation of bone tissues to their mechanical environment. Many experiments have investigated and observed such structural adaptation. However, there is still much uncertainty about how to define the reference mechanical state at which bone structure is adapted and stable. Clinical and experimental observations show that this reference state varies both in space and in time, over a wide range of timescales. We propose here an osteocyte-based mechanostat theory that encodes the mechanical reference state in osteocyte properties. This theory assumes that osteocytes are initially formed adapted to their current local mechanical environment through modulation of their properties. We distinguish two main types of physiological processes by which osteocytes subsequently modify the reference mechanical state at different timescales. One is cell desensitisation, which occurs rapidly and reversibly during an osteocyte׳s lifetime. The other is the replacement of osteocytes during bone remodelling, which occurs over the long timescales of bone turnover. The novelty of this theory is to propose that long-lasting morphological and genotypic osteocyte properties provide a material basis for a long-term mechanical memory of bone that is gradually reset by bone remodelling. We test this theory by simulating long-term mechanical disuse (modelling spinal cord injury), and short-term mechanical loadings (modelling daily exercises) with a mathematical model. The consideration of osteocyte desensitisation and of osteocyte replacement by remodelling is able to capture a number of phenomena and timescales observed during the mechanical adaptation of bone tissues, lending support to this theory. Copyright © 2016 Elsevier Ltd. All rights reserved.

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information.

PubMed

Bansal, Artee; Valiya Parambathu, Arjun; Asthagiri, D; Cox, Kenneth R; Chapman, Walter G

2017-04-28

We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [A. Bansal et al., J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have the same size. The patchy, solvent particles have short-range directional interactions, while the solute particles have short-range isotropic interactions. The hard-sphere mixture without any association site forms the reference fluid. An important ingredient within the multi-body association theory is the description of clustering of the reference solvent around the reference solute. Here we account for the physical, multi-body clusters of the reference solvent around the reference solute in terms of occupancy statistics in a defined observation volume. These occupancy probabilities are obtained from enhanced sampling simulations, but we also present statistical mechanical models to estimate these probabilities with limited simulation data. Relative to an approach that describes only up to three-body correlations in the reference, incorporating the complete reference information better predicts the bonding state and thermodynamics of the physical solute for a wide range of system conditions. Importantly, analysis of the residual chemical potential of the infinitely dilute solute from molecular simulation and theory shows that whereas the chemical potential is somewhat insensitive to the description of the structure of the reference fluid, the energetic and entropic contributions are not, with the results from the complete reference approach being in better agreement with particle simulations.

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information

NASA Astrophysics Data System (ADS)

Bansal, Artee; Valiya Parambathu, Arjun; Asthagiri, D.; Cox, Kenneth R.; Chapman, Walter G.

2017-04-01

We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [A. Bansal et al., J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have the same size. The patchy, solvent particles have short-range directional interactions, while the solute particles have short-range isotropic interactions. The hard-sphere mixture without any association site forms the reference fluid. An important ingredient within the multi-body association theory is the description of clustering of the reference solvent around the reference solute. Here we account for the physical, multi-body clusters of the reference solvent around the reference solute in terms of occupancy statistics in a defined observation volume. These occupancy probabilities are obtained from enhanced sampling simulations, but we also present statistical mechanical models to estimate these probabilities with limited simulation data. Relative to an approach that describes only up to three-body correlations in the reference, incorporating the complete reference information better predicts the bonding state and thermodynamics of the physical solute for a wide range of system conditions. Importantly, analysis of the residual chemical potential of the infinitely dilute solute from molecular simulation and theory shows that whereas the chemical potential is somewhat insensitive to the description of the structure of the reference fluid, the energetic and entropic contributions are not, with the results from the complete reference approach being in better agreement with particle simulations.

Information object definition-based unified modeling language representation of DICOM structured reporting: a case study of transcoding DICOM to XML.

PubMed

Tirado-Ramos, Alfredo; Hu, Jingkun; Lee, K P

2002-01-01

Supplement 23 to DICOM (Digital Imaging and Communications for Medicine), Structured Reporting, is a specification that supports a semantically rich representation of image and waveform content, enabling experts to share image and related patient information. DICOM SR supports the representation of textual and coded data linked to images and waveforms. Nevertheless, the medical information technology community needs models that work as bridges between the DICOM relational model and open object-oriented technologies. The authors assert that representations of the DICOM Structured Reporting standard, using object-oriented modeling languages such as the Unified Modeling Language, can provide a high-level reference view of the semantically rich framework of DICOM and its complex structures. They have produced an object-oriented model to represent the DICOM SR standard and have derived XML-exchangeable representations of this model using World Wide Web Consortium specifications. They expect the model to benefit developers and system architects who are interested in developing applications that are compliant with the DICOM SR specification.

Hot, cold, and annual reference atmospheres for Edwards Air Force Base, California (1975 version)

NASA Technical Reports Server (NTRS)

Johnson, D. L.

1975-01-01

Reference atmospheres pertaining to summer (hot), winter (cold), and mean annual conditions for Edwards Air Force Base, California, are presented from surface to 90 km altitude (700 km for the annual model). Computed values of pressure, kinetic temperature, virtual temperature, and density and relative differences percentage departure from the Edwards reference atmospheres, 1975 (ERA-75) of the atmospheric parameters versus altitude are tabulated in 250 m increments. Hydrostatic and gas law equations were used in conjunction with radiosonde and rocketsonde thermodynamic data in determining the vertical structure of these atmospheric models. The thermodynamic parameters were all subjected to a fifth degree least-squares curve-fit procedure, and the resulting coefficients were incorporated into Univac 1108 computer subroutines so that any quantity may be recomputed at any desired altitude using these subroutines.

A New Modeling for the Changes in the Distribution of Scatterers in Cirrhotic Liver

NASA Astrophysics Data System (ADS)

Hara, Takashi; Hachiya, Hiroyuki

2000-05-01

The human liver is composed of small hexagonal structures called liver lobules. Cirrhosis destroys these liver lobules and replaces them with permanent connective tissue referred to as regenerative nodules. In this paper, we propose a new modeling technique for changes in the scatterer distribution in liver tissue considering the structure of liver lobules to obtain images of the cirrhotic liver over continuous stages. Using these images, we analyze the relationship between changes in characteristics of biological tissue and changes in B-mode images during progressive liver cirrhosis.

Reliable landmarks for precise topographical analyses of pathological structural changes of the ovine tibial plateau in 2-D and 3-D subspaces.

PubMed

Oláh, Tamás; Reinhard, Jan; Gao, Liang; Goebel, Lars K H; Madry, Henning

2018-01-08

Selecting identical topographical locations to analyse pathological structural changes of the osteochondral unit in translational models remains difficult. The specific aim of the study was to provide objectively defined reference points on the ovine tibial plateau based on 2-D sections of micro-CT images useful for reproducible sample harvesting and as standardized landmarks for landmark-based 3-D image registration. We propose 5 reference points, 11 reference lines and 12 subregions that are detectable macroscopically and on 2-D micro-CT sections. Their value was confirmed applying landmark-based rigid and affine 3-D registration methods. Intra- and interobserver comparison showed high reliabilities, and constant positions (standard errors < 1%). Spatial patterns of the thicknesses of the articular cartilage and subchondral bone plate were revealed by measurements in 96 individual points of the tibial plateau. As a case study, pathological phenomena 6 months following OA induction in vivo such as osteophytes and areas of OA development were mapped to the individual subregions. These new reference points and subregions are directly identifiable on tibial plateau specimens or macroscopic images, enabling a precise topographical location of pathological structural changes of the osteochondral unit in both 2-D and 3-D subspaces in a region-appropriate fashion relevant for translational investigations.

Nonlinear Modeling of Joint Dominated Structures

NASA Technical Reports Server (NTRS)

Chapman, J. M.

1990-01-01

The development and verification of an accurate structural model of the nonlinear joint-dominated NASA Langley Mini-Mast truss are described. The approach is to characterize the structural behavior of the Mini-Mast joints and struts using a test configuration that can directly measure the struts' overall stiffness and damping properties, incorporate this data into the structural model using the residual force technique, and then compare the predicted response with empirical data taken by NASA/LaRC during the modal survey tests of the Mini-Mast. A new testing technique, referred to as 'link' testing, was developed and used to test prototype struts of the Mini-Masts. Appreciable nonlinearities including the free-play and hysteresis were demonstrated. Since static and dynamic tests performed on the Mini-Mast also exhibited behavior consistent with joints having free-play and hysteresis, nonlinear models of the Mini-Mast were constructed and analyzed. The Residual Force Technique was used to analyze the nonlinear model of the Mini-Mast having joint free-play and hysteresis.

Structural Analysis and Optimization of the Support Device Used for a Proximal Fracture of the Femur

DTIC Science & Technology

2008-12-01

support system and bone , the models were considered under two different load conditions. From these results, a recommendation can be made to the...support system and bone , the models were considered under two different load conditions. From these results, a recommendation can be made to the...nail with coordinate reference ............................................................30  Figure 27.  Model with bone and Nail

Electronic structure of alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ehrenreich, H.; Schwartz, L.M.

1976-01-01

The description of electronic properties of binary substitutional alloys within the single particle approximation is reviewed. Emphasis is placed on a didactic exposition of the equilibrium properties of the transport and magnetic properties of such alloys. Topics covered include: multiple scattering theory; the single band alloy; formal extensions of the theory; the alloy potential; realistic model state densities; the s-d model; and the muffin tin model. 43 figures, 3 tables, 151 references. (GHT)

An immersed-shell method for modelling fluid–structure interactions

PubMed Central

Viré, A.; Xiang, J.; Pain, C. C.

2015-01-01

The paper presents a novel method for numerically modelling fluid–structure interactions. The method consists of solving the fluid-dynamics equations on an extended domain, where the computational mesh covers both fluid and solid structures. The fluid and solid velocities are relaxed to one another through a penalty force. The latter acts on a thin shell surrounding the solid structures. Additionally, the shell is represented on the extended domain by a non-zero shell-concentration field, which is obtained by conservatively mapping the shell mesh onto the extended mesh. The paper outlines the theory underpinning this novel method, referred to as the immersed-shell approach. It also shows how the coupling between a fluid- and a structural-dynamics solver is achieved. At this stage, results are shown for cases of fundamental interest. PMID:25583857

An atlas-based multimodal registration method for 2D images with discrepancy structures.

PubMed

Lv, Wenchao; Chen, Houjin; Peng, Yahui; Li, Yanfeng; Li, Jupeng

2018-06-04

An atlas-based multimodal registration method for 2-dimension images with discrepancy structures was proposed in this paper. Atlas was utilized for complementing the discrepancy structure information in multimodal medical images. The scheme includes three steps: floating image to atlas registration, atlas to reference image registration, and field-based deformation. To evaluate the performance, a frame model, a brain model, and clinical images were employed in registration experiments. We measured the registration performance by the squared sum of intensity differences. Results indicate that this method is robust and performs better than the direct registration for multimodal images with discrepancy structures. We conclude that the proposed method is suitable for multimodal images with discrepancy structures. Graphical Abstract An Atlas-based multimodal registration method schematic diagram.

Quantum Impurity Models as Reference Systems for Strongly Correlated Materials: The Road from the Kondo Impurity Model to First Principles Electronic Structure Calculations with Dynamical Mean-Field Theory

NASA Astrophysics Data System (ADS)

Kotliar, Gabriel

2005-01-01

Dynamical mean field theory (DMFT) relates extended systems (bulk solids, surfaces and interfaces) to quantum impurity models (QIM) satisfying a self-consistency condition. This mapping provides an economic description of correlated electron materials. It is currently used in practical computations of physical properties of real materials. It has also great conceptual value, providing a simple picture of correlated electron phenomena on the lattice, using concepts derived from quantum impurity models such as the Kondo effect. DMFT can also be formulated as a first principles electronic structure method and is applicable to correlated materials.

Comparative Structural Models of Similarities and Differences between "Vehicle" and "Target" in Order to Teach Darwinian "Evolution"

ERIC Educational Resources Information Center

Marcelos, Maria Fatima; Nagem, Ronaldo L.

2010-01-01

Our objective is to contribute to the teaching of Classical Darwinian "Evolution" by means of a study of analogies and metaphors. Throughout the history of knowledge about "Evolution" and in Science teaching, tree structures have been used an analogs to refer to "Evolution," such as by Darwin in the "Tree of Life" passage contained in "On The…

Supercontinent Pangea, Mantle Dynamics, and Reference Frame of Global Plate Motions

NASA Astrophysics Data System (ADS)

Zhong, S.; Rudolph, M. L.; Liu, X.

2014-12-01

Arguably the most important and challenging goal in geodynamics is to understand the two-way dynamics between tectonic plates and mantle convection. While it has long been recognized that the present-day degree-2 mantle structure as imaged seismically is closely related to the plate motions (Hager and O'Connell, 1981) and their history (<119 Ma) (Ricard et al., 1993; McNamara and Zhong, 2005), recent studies have expanded this concept, from two different perspectives, by seeking connections between Pangea assembly and breakup and mantle structure and dynamics. First, it has been proposed that the large igneous provinces (LIPs) and kimberlite volcanism erupted mainly along the edges of the two major seismically slow anomalies above the core-mantle boundary (often referred to as the Africa and Pacific LLSVPs) (Torsvik et al, 2010). This has led to the proposal that the present-day degree-2 mantle structure has existed for >500 Ma (Torsvik et al., 2014), although its statistical significance has been challenged (Austermann et al., 2013). The proposals of the spatially stable Africa and Pacific LLSVPs and of the LIP eruptions along their edges have also been exploited in attempts to build global plate motion models since the Pangea assembly by providing a plate motion reference frame or inferring true polar wander (TPW) corrections to the plate motions (Torsvik et al., 2014). Second, mantle dynamics studies indicate that degree-1 mantle convection, which is expected with realistic lithospheric and mantle viscosity, may be needed for assembly of a supercontinent (e.g., Pangea) (Zhong et al., 2007). This suggests that the present degree-2 mantle structure may have been formed only after the Pangea assembly from an initially degree-1 structure - a scenario that is consistent with convection calculations with a proxy plate motion model that considers Pangea process (Zhang et al., 2010). In this presentation, in addition to critically reviewing these arguments, we will discuss calculations of long-wavelength geoid for the mantle with thermochemical piles and LLSVPs and their potential effects on TPW determinations and hence reconstruction of plate motion (i.e., net lithospheric rotation). We will also present additional calculations of mantle structure evolution using different plate motion history models.

A structural SVM approach for reference parsing.

PubMed

Zhang, Xiaoli; Zou, Jie; Le, Daniel X; Thoma, George R

2011-06-09

Automated extraction of bibliographic data, such as article titles, author names, abstracts, and references is essential to the affordable creation of large citation databases. References, typically appearing at the end of journal articles, can also provide valuable information for extracting other bibliographic data. Therefore, parsing individual reference to extract author, title, journal, year, etc. is sometimes a necessary preprocessing step in building citation-indexing systems. The regular structure in references enables us to consider reference parsing a sequence learning problem and to study structural Support Vector Machine (structural SVM), a newly developed structured learning algorithm on parsing references. In this study, we implemented structural SVM and used two types of contextual features to compare structural SVM with conventional SVM. Both methods achieve above 98% token classification accuracy and above 95% overall chunk-level accuracy for reference parsing. We also compared SVM and structural SVM to Conditional Random Field (CRF). The experimental results show that structural SVM and CRF achieve similar accuracies at token- and chunk-levels. When only basic observation features are used for each token, structural SVM achieves higher performance compared to SVM since it utilizes the contextual label features. However, when the contextual observation features from neighboring tokens are combined, SVM performance improves greatly, and is close to that of structural SVM after adding the second order contextual observation features. The comparison of these two methods with CRF using the same set of binary features show that both structural SVM and CRF perform better than SVM, indicating their stronger sequence learning ability in reference parsing.

Quantum computation with coherent spin states and the close Hadamard problem

NASA Astrophysics Data System (ADS)

Adcock, Mark R. A.; Høyer, Peter; Sanders, Barry C.

2016-04-01

We study a model of quantum computation based on the continuously parameterized yet finite-dimensional Hilbert space of a spin system. We explore the computational powers of this model by analyzing a pilot problem we refer to as the close Hadamard problem. We prove that the close Hadamard problem can be solved in the spin system model with arbitrarily small error probability in a constant number of oracle queries. We conclude that this model of quantum computation is suitable for solving certain types of problems. The model is effective for problems where symmetries between the structure of the information associated with the problem and the structure of the unitary operators employed in the quantum algorithm can be exploited.

Identification of the numerical model of FEM in reference to measurements in situ

NASA Astrophysics Data System (ADS)

Jukowski, Michał; Bec, Jarosław; Błazik-Borowa, Ewa

2018-01-01

The paper deals with the verification of various numerical models in relation to the pilot-phase measurements of a rail bridge subjected to dynamic loading. Three types of FEM models were elaborated for this purpose. Static, modal and dynamic analyses were performed. The study consisted of measuring the acceleration values of the structural components of the object at the moment of the train passing. Based on this, FFT analysis was performed, the main natural frequencies of the bridge were determined, the structural damping ratio and the dynamic amplification factor (DAF) were calculated and compared with the standard values. Calculations were made using Autodesk Simulation Multiphysics (Algor).

New statistical potential for quality assessment of protein models and a survey of energy functions

PubMed Central

2010-01-01

Background Scoring functions, such as molecular mechanic forcefields and statistical potentials are fundamentally important tools in protein structure modeling and quality assessment. Results The performances of a number of publicly available scoring functions are compared with a statistical rigor, with an emphasis on knowledge-based potentials. We explored the effect on accuracy of alternative choices for representing interaction center types and other features of scoring functions, such as using information on solvent accessibility, on torsion angles, accounting for secondary structure preferences and side chain orientation. Partially based on the observations made, we present a novel residue based statistical potential, which employs a shuffled reference state definition and takes into account the mutual orientation of residue side chains. Atom- and residue-level statistical potentials and Linux executables to calculate the energy of a given protein proposed in this work can be downloaded from http://www.fiserlab.org/potentials. Conclusions Among the most influential terms we observed a critical role of a proper reference state definition and the benefits of including information about the microenvironment of interaction centers. Molecular mechanical potentials were also tested and found to be over-sensitive to small local imperfections in a structure, requiring unfeasible long energy relaxation before energy scores started to correlate with model quality. PMID:20226048

Static Aeroelastic and Longitudinal Trim Model of Flexible Wing Aircraft Using Finite-Element Vortex-Lattice Coupled Solution

NASA Technical Reports Server (NTRS)

Ting, Eric; Nguyen, Nhan; Trinh, Khanh

2014-01-01

This paper presents a static aeroelastic model and longitudinal trim model for the analysis of a flexible wing transport aircraft. The static aeroelastic model is built using a structural model based on finite-element modeling and coupled to an aerodynamic model that uses vortex-lattice solution. An automatic geometry generation tool is used to close the loop between the structural and aerodynamic models. The aeroelastic model is extended for the development of a three degree-of-freedom longitudinal trim model for an aircraft with flexible wings. The resulting flexible aircraft longitudinal trim model is used to simultaneously compute the static aeroelastic shape for the aircraft model and the longitudinal state inputs to maintain an aircraft trim state. The framework is applied to an aircraft model based on the NASA Generic Transport Model (GTM) with wing structures allowed to flexibly deformed referred to as the Elastically Shaped Aircraft Concept (ESAC). The ESAC wing mass and stiffness properties are based on a baseline "stiff" values representative of current generation transport aircraft.

A reference model for model-based design of critical infrastructure protection systems

NASA Astrophysics Data System (ADS)

Shin, Young Don; Park, Cheol Young; Lee, Jae-Chon

2015-05-01

Today's war field environment is getting versatile as the activities of unconventional wars such as terrorist attacks and cyber-attacks have noticeably increased lately. The damage caused by such unconventional wars has also turned out to be serious particularly if targets are critical infrastructures that are constructed in support of banking and finance, transportation, power, information and communication, government, and so on. The critical infrastructures are usually interconnected to each other and thus are very vulnerable to attack. As such, to ensure the security of critical infrastructures is very important and thus the concept of critical infrastructure protection (CIP) has come. The program to realize the CIP at national level becomes the form of statute in each country. On the other hand, it is also needed to protect each individual critical infrastructure. The objective of this paper is to study on an effort to do so, which can be called the CIP system (CIPS). There could be a variety of ways to design CIPS's. Instead of considering the design of each individual CIPS, a reference model-based approach is taken in this paper. The reference model represents the design of all the CIPS's that have many design elements in common. In addition, the development of the reference model is also carried out using a variety of model diagrams. The modeling language used therein is the systems modeling language (SysML), which was developed and is managed by Object Management Group (OMG) and a de facto standard. Using SysML, the structure and operational concept of the reference model are designed to fulfil the goal of CIPS's, resulting in the block definition and activity diagrams. As a case study, the operational scenario of the nuclear power plant while being attacked by terrorists is studied using the reference model. The effectiveness of the results is also analyzed using multiple analysis models. It is thus expected that the approach taken here has some merits over the traditional design methodology of repeating requirements analysis and system design.

Energy Based Multiscale Modeling with Non-Periodic Boundary Conditions

DTIC Science & Technology

2013-05-13

below in Figure 8. At each incremental step in the analysis , the user material defined subroutine (UMAT) was utilized to perform the communication...initiation and modeling using XFEM. Appropriate localization schemes will be developed to allow for deformations conducive for crack opening...REFERENCES 1. Talreja R., 2006, “Damage analysis for structural integrity and durability of composite materials ,” Fatigue & Fracture of

Numerical simulation of an elastic structure behavior under transient fluid flow excitation

NASA Astrophysics Data System (ADS)

Afanasyeva, Irina N.; Lantsova, Irina Yu.

2017-01-01

This paper deals with the verification of a numerical technique of modeling fluid-structure interaction (FSI) problems. The configuration consists of incompressible viscous fluid around an elastic structure in the channel. External flow is laminar. Multivariate calculations are performed using special software ANSYS CFX and ANSYS Mechanical. Different types of parameters of mesh deformation and solver controls (time step, under relaxation factor, number of iterations at coupling step) were tested. The results are presented in tables and plots in comparison with reference data.

Toward “optimal” integration of terrestrial biosphere models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwalm, Christopher R.; Huntingzger, Deborah; Fisher, Joshua B.

2015-06-10

Multi-model ensembles (MME) are commonplace in Earth system modeling. Here we perform MME integration using a 10-member ensemble of terrestrial biosphere models (TBMs) from the Multi-scale synthesis and Terrestrial Model Intercomparison Project (MsTMIP). We contrast optimal (skill-based for present-day carbon cycling) versus naïve (“one model – one vote”) integration. MsTMIP optimal and naïve mean land sink strength estimates (–1.16 vs. –1.15 Pg C per annum respectively) are statistically indistinguishable. This holds also for grid cell values and extends to gross uptake, biomass, and net ecosystem productivity. TBM skill is similarly indistinguishable. The added complexity of skill-based integration does not materiallymore » change MME values. This suggests that carbon metabolism has predictability limits and/or that all models and references are misspecified. Resolving this issue requires addressing specific uncertainty types (initial conditions, structure, references) and a change in model development paradigms currently dominant in the TBM community.« less

Convergence and Divergence in a Multi-Model Ensemble of Terrestrial Ecosystem Models in North America

NASA Astrophysics Data System (ADS)

Dungan, J. L.; Wang, W.; Hashimoto, H.; Michaelis, A.; Milesi, C.; Ichii, K.; Nemani, R. R.

2009-12-01

In support of NACP, we are conducting an ensemble modeling exercise using the Terrestrial Observation and Prediction System (TOPS) to evaluate uncertainties among ecosystem models, satellite datasets, and in-situ measurements. The models used in the experiment include public-domain versions of Biome-BGC, LPJ, TOPS-BGC, and CASA, driven by a consistent set of climate fields for North America at 8km resolution and daily/monthly time steps over the period of 1982-2006. The reference datasets include MODIS Gross Primary Production (GPP) and Net Primary Production (NPP) products, Fluxnet measurements, and other observational data. The simulation results and the reference datasets are consistently processed and systematically compared in the climate (temperature-precipitation) space; in particular, an alternative to the Taylor diagram is developed to facilitate model-data intercomparisons in multi-dimensional space. The key findings of this study indicate that: the simulated GPP/NPP fluxes are in general agreement with observations over forests, but are biased low (underestimated) over non-forest types; large uncertainties of biomass and soil carbon stocks are found among the models (and reference datasets), often induced by seemingly “small” differences in model parameters and implementation details; the simulated Net Ecosystem Production (NEP) mainly responds to non-respiratory disturbances (e.g. fire) in the models and therefore is difficult to compare with flux data; and the seasonality and interannual variability of NEP varies significantly among models and reference datasets. These findings highlight the problem inherent in relying on only one modeling approach to map surface carbon fluxes and emphasize the pressing necessity of expanded and enhanced monitoring systems to narrow critical structural and parametrical uncertainties among ecosystem models.

A comparative study of theoretical graph models for characterizing structural networks of human brain.

PubMed

Li, Xiaojin; Hu, Xintao; Jin, Changfeng; Han, Junwei; Liu, Tianming; Guo, Lei; Hao, Wei; Li, Lingjiang

2013-01-01

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

Thinking about Museum Information.

ERIC Educational Resources Information Center

Reed, Patricia Ann; Sledge, Jane

1988-01-01

Describes work in progress at the Smithsonian Institution in developing a system to understand and articulate the information needed to support collection related functions. The discussion covers the data modeling methodology used and the advantages of this methodology in structuring museum collections information. (one reference) (CLB)

Modeling Of Object- And Scene-Prototypes With Hierarchically Structured Classes

NASA Astrophysics Data System (ADS)

Ren, Z.; Jensch, P.; Ameling, W.

1989-03-01

The success of knowledge-based image analysis methodology and implementation tools depends largely on an appropriately and efficiently built model wherein the domain-specific context information about and the inherent structure of the observed image scene have been encoded. For identifying an object in an application environment a computer vision system needs to know firstly the description of the object to be found in an image or in an image sequence, secondly the corresponding relationships between object descriptions within the image sequence. This paper presents models of image objects scenes by means of hierarchically structured classes. Using the topovisual formalism of graph and higraph, we are currently studying principally the relational aspect and data abstraction of the modeling in order to visualize the structural nature resident in image objects and scenes, and to formalize. their descriptions. The goal is to expose the structure of image scene and the correspondence of image objects in the low level image interpretation. process. The object-based system design approach has been applied to build the model base. We utilize the object-oriented programming language C + + for designing, testing and implementing the abstracted entity classes and the operation structures which have been modeled topovisually. The reference images used for modeling prototypes of objects and scenes are from industrial environments as'well as medical applications.

Use of integrated analogue and numerical modelling to predict tridimensional fracture intensity in fault-related-folds.

NASA Astrophysics Data System (ADS)

Pizzati, Mattia; Cavozzi, Cristian; Magistroni, Corrado; Storti, Fabrizio

2016-04-01

Fracture density pattern predictions with low uncertainty is a fundamental issue for constraining fluid flow pathways in thrust-related anticlines in the frontal parts of thrust-and-fold belts and accretionary prisms, which can also provide plays for hydrocarbon exploration and development. Among the drivers that concur to determine the distribution of fractures in fold-and-thrust-belts, the complex kinematic pathways of folded structures play a key role. In areas with scarce and not reliable underground information, analogue modelling can provide effective support for developing and validating reliable hypotheses on structural architectures and their evolution. In this contribution, we propose a working method that combines analogue and numerical modelling. We deformed a sand-silicone multilayer to eventually produce a non-cylindrical thrust-related anticline at the wedge toe, which was our test geological structure at the reservoir scale. We cut 60 serial cross-sections through the central part of the deformed model to analyze faults and folds geometry using dedicated software (3D Move). The cross-sections were also used to reconstruct the 3D geometry of reference surfaces that compose the mechanical stratigraphy thanks to the use of the software GoCad. From the 3D model of the experimental anticline, by using 3D Move it was possible to calculate the cumulative stress and strain underwent by the deformed reference layers at the end of the deformation and also in incremental steps of fold growth. Based on these model outputs it was also possible to predict the orientation of three main fractures sets (joints and conjugate shear fractures) and their occurrence and density on model surfaces. The next step was the upscaling of the fracture network to the entire digital model volume, to create DFNs.

Reference Model 5 (RM5): Oscillating Surge Wave Energy Converter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Y. H.; Jenne, D. S.; Thresher, R.

This report is an addendum to SAND2013-9040: Methodology for Design and Economic Analysis of Marine Energy Conversion (MEC) Technologies. This report describes an Oscillating Water Column Wave Energy Converter (OSWEC) reference model design in a complementary manner to Reference Models 1-4 contained in the above report. A conceptual design for a taut moored oscillating surge wave energy converter was developed. The design had an annual electrical power of 108 kilowatts (kW), rated power of 360 kW, and intended deployment at water depths between 50 m and 100 m. The study includes structural analysis, power output estimation, a hydraulic power conversionmore » chain system, and mooring designs. The results were used to estimate device capital cost and annual operation and maintenance costs. The device performance and costs were used for the economic analysis, following the methodology presented in SAND2013-9040 that included costs for designing, manufacturing, deploying, and operating commercial-scale MEC arrays up to 100 devices. The levelized cost of energy estimated for the Reference Model 5 OSWEC, presented in this report, was for a single device and arrays of 10, 50, and 100 units, and it enabled the economic analysis to account for cost reductions associated with economies of scale. The baseline commercial levelized cost of energy estimate for the Reference Model 5 device in an array comprised of 10 units is $1.44/kilowatt-hour (kWh), and the value drops to approximately $0.69/kWh for an array of 100 units.« less

Modeling uncertainty: quicksand for water temperature modeling

USGS Publications Warehouse

Bartholow, John M.

2003-01-01

Uncertainty has been a hot topic relative to science generally, and modeling specifically. Modeling uncertainty comes in various forms: measured data, limited model domain, model parameter estimation, model structure, sensitivity to inputs, modelers themselves, and users of the results. This paper will address important components of uncertainty in modeling water temperatures, and discuss several areas that need attention as the modeling community grapples with how to incorporate uncertainty into modeling without getting stuck in the quicksand that prevents constructive contributions to policy making. The material, and in particular the reference, are meant to supplement the presentation given at this conference.

Human Augmentation of Reasoning Through Patterning (HARP)

DTIC Science & Technology

2008-04-01

develop what we then referred to as “ Uber - CIM,” in which a set of independent but tightly-joined CIM models could be developed. However, although that...analysts to apply “tags” (keywords) to Web-based resources, and to see and leverage the tags and tagged resources of others. Catalyst is a modeling ...issues. Catalyst models consist of nodes of information organized into hierarchical tree structures. Nodes can contain attachments or links to tags

Large Eddy Simulation of stratified flows over structures

NASA Astrophysics Data System (ADS)

Fuka, V.; Brechler, J.

2013-04-01

We tested the ability of the LES model CLMM (Charles University Large-Eddy Microscale Model) to model the stratified flow around three dimensional hills. We compared the quantities, as the height of the dividing streamline, recirculation zone length or length of the lee waves with experiments by Hunt and Snyder[3] and numerical computations by Ding, Calhoun and Street[5]. The results mostly agreed with the references, but some important differences are present.

Recombination Rates of Electrons with Interstellar PAH Molecules

NASA Technical Reports Server (NTRS)

Ballester, Jorge (Cartographer)

1996-01-01

The goal of this project is to develop a general model for the recombination of electrons with PAH molecules in an interstellar environment. The model is being developed such that it can be applied to a small number of families of PAHs without reference to specific molecular structures. Special attention will be focused on modeling the approximately circular compact PAHs in a way that only depends on the number of carbon atoms.

Classification of Chemicals Based On Structured Toxicity ...

EPA Pesticide Factsheets

Thirty years and millions of dollars worth of pesticide registration toxicity studies, historically stored as hardcopy and scanned documents, have been digitized into highly standardized and structured toxicity data within the Toxicity Reference Database (ToxRefDB). Toxicity-based classifications of chemicals were performed as a model application of ToxRefDB. These endpoints will ultimately provide the anchoring toxicity information for the development of predictive models and biological signatures utilizing in vitro assay data. Utilizing query and structured data mining approaches, toxicity profiles were uniformly generated for greater than 300 chemicals. Based on observation rate, species concordance and regulatory relevance, individual and aggregated effects have been selected to classify the chemicals providing a set of predictable endpoints. ToxRefDB exhibits the utility of transforming unstructured toxicity data into structured data and, furthermore, into computable outputs, and serves as a model for applying such data to address modern toxicological problems.

High Speed Research Program Structural Acoustics Multi-Year Summary Report

NASA Technical Reports Server (NTRS)

Beier, Theodor H.; Bhat, Waman V.; Rizzi, Stephen A.; Silcox, Richard J.; Simpson, Myles A.

2005-01-01

This report summarizes the work conducted by the Structural Acoustics Integrated Technology Development (ITD) Team under NASA's High Speed Research (HSR) Phase II program from 1993 to 1999. It is intended to serve as a reference for future researchers by documenting the results of the interior noise and sonic fatigue technology development activities conducted during this period. For interior noise, these activities included excitation modeling, structural acoustic response modeling, development of passive treatments and active controls, and prediction of interior noise. For sonic fatigue, these activities included loads prediction, materials characterization, sonic fatigue code development, development of response reduction techniques, and generation of sonic fatigue design requirements. Also included are lessons learned and recommendations for future work.

Structural properties of liquid lanthanides using charge hard sphere reference system

NASA Astrophysics Data System (ADS)

Thakora, P. B.; Sonvane, Y. A.; Patel, H. P.; Gajjar, P. N.; Jani, A. R.

2012-06-01

In the present paper Charge Hard Sphere (CHS) system is employed to investigate the structural properties like long wavelength limit S(0), isothermal compressibility (χT) and coordination number n for some liquid lanthanides viz.: La, Ce, Pr, Nd, Eu, Gd, Tb, Dy, Ho, Er, Yb and Lu. Our well established parameter free model potential is used to describe the electron-ion interaction alongwith sarkar et al. dielectric function. From the present results, it is seen that good agreement between present results and available experimental data have been achieved. At last, we establish the applicability of our parameter free model potential and CHS method to account such structural properties.

Structural Analysis Of CD59 Of Chinese Tree Shrew: A New Reference Molecule For Human Immune System Specific CD59 Drug Discovery.

PubMed

Panda, Subhamay; Kumari, Leena; Panda, Santamay

2017-11-17

Chinese tree shrews (Tupaia belangeri chinensis) bear several characteristics that are considered to be very crucial for utilizing in animal experimental models in biomedical research. Subsequent to the identification of key aspects and signaling pathways in nervous and immune systems, it is revealed that tree shrews acquires shared common as well as unique characteristics, and hence offers a genetic basis for employing this animal as a prospective model for biomedical research. CD59 glycoprotein, commonly referred to as MAC-inhibitory protein (MAC-IP), membrane inhibitor of reactive lysis (MIRL), or protectin, is encoded by the CD59 gene in human beings. It is the member of the LY6/uPAR/alpha-neurotoxin protein family. With this initial point the objective of this study was to determine a comparative composite based structure of CD59 of Chinese tree shrew. The additional objective of this study was to examine the distribution of negatively and positively charged amino acid over molecular modeled structure, distribution of secondary structural elements, hydrophobicity molecular surface analysis and electrostatic potential analysis with the assistance of several bioinformatical analytical tools. CD59 Amino acid sequence of Chinese tree shrew collected from the online database system of National Centre for Biotechnology Information. SignalP 4.0 online server was employed for detection of signal peptide instance within the protein sequence of CD59. Molecular model structure of CD59 protein was generated by the Iterative Threading ASSEmbly Refinement (I-TASSER) suite. The confirmation for three-dimensional structural model was evaluated by structure validation tools. Location of negatively and positively charged amino acid over molecular modeled structure, distribution of secondary structural elements, and hydrophobicity molecular surface analysis was performed with the help of Chimera tool. Electrostatic potential analysis was carried out with the adaptive Poisson-Boltzmann solver package. Subsequently validated model was used for the functionally critical amino acids and active site prediction. The functionally critical amino acids and ligand- binding site (LBS) of the proteins (modeled) was determined using the COACH program. Analysis of Ramachandran plot for Chinese tree shrew depicted that overall, 100% of the residues in homology model were observed in allowed and favored regions, sequentially leading to the validation of the standard of generated protein structural model. In case of CD59 of Chinese tree shrew, the total score of G-factor was found to be -0.66 that was generally larger than the acceptable value. This approach suggests the significance and acceptability of the modeled structure of CD59 of Chinese tree shrew. The molecular model data in cooperation to other relevant post model analysis data put forward molecular insight to protecting activity of CD59 protein molecule of Chinese tree shrew. In the present study, we have proposed the first molecular model structure of uncharted CD59 of Chinese tree shrew by significantly utilizing the comparative composite modeling approach. Therefore, the development of a structural model of the CD59 protein was carried out and analyzed further for deducing molecular enrichment technique. The collaborative effort of molecular model and other relevant data of post model analysis carry forward molecular understanding to protecting activity of CD59 functions towards better insight of features of this natural lead compound. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Three-Dimensional Accuracy of Facial Scan for Facial Deformities in Clinics: A New Evaluation Method for Facial Scanner Accuracy.

PubMed

Zhao, Yi-Jiao; Xiong, Yu-Xue; Wang, Yong

2017-01-01

In this study, the practical accuracy (PA) of optical facial scanners for facial deformity patients in oral clinic was evaluated. Ten patients with a variety of facial deformities from oral clinical were included in the study. For each patient, a three-dimensional (3D) face model was acquired, via a high-accuracy industrial "line-laser" scanner (Faro), as the reference model and two test models were obtained, via a "stereophotography" (3dMD) and a "structured light" facial scanner (FaceScan) separately. Registration based on the iterative closest point (ICP) algorithm was executed to overlap the test models to reference models, and "3D error" as a new measurement indicator calculated by reverse engineering software (Geomagic Studio) was used to evaluate the 3D global and partial (upper, middle, and lower parts of face) PA of each facial scanner. The respective 3D accuracy of stereophotography and structured light facial scanners obtained for facial deformities was 0.58±0.11 mm and 0.57±0.07 mm. The 3D accuracy of different facial partitions was inconsistent; the middle face had the best performance. Although the PA of two facial scanners was lower than their nominal accuracy (NA), they all met the requirement for oral clinic use.

Theoretical foundation, methods, and criteria for calibrating human vibration models using frequency response functions

PubMed Central

Dong, Ren G.; Welcome, Daniel E.; McDowell, Thomas W.; Wu, John Z.

2015-01-01

While simulations of the measured biodynamic responses of the whole human body or body segments to vibration are conventionally interpreted as summaries of biodynamic measurements, and the resulting models are considered quantitative, this study looked at these simulations from a different angle: model calibration. The specific aims of this study are to review and clarify the theoretical basis for model calibration, to help formulate the criteria for calibration validation, and to help appropriately select and apply calibration methods. In addition to established vibration theory, a novel theorem of mechanical vibration is also used to enhance the understanding of the mathematical and physical principles of the calibration. Based on this enhanced understanding, a set of criteria was proposed and used to systematically examine the calibration methods. Besides theoretical analyses, a numerical testing method is also used in the examination. This study identified the basic requirements for each calibration method to obtain a unique calibration solution. This study also confirmed that the solution becomes more robust if more than sufficient calibration references are provided. Practically, however, as more references are used, more inconsistencies can arise among the measured data for representing the biodynamic properties. To help account for the relative reliabilities of the references, a baseline weighting scheme is proposed. The analyses suggest that the best choice of calibration method depends on the modeling purpose, the model structure, and the availability and reliability of representative reference data. PMID:26740726

Recursive formulae and performance comparisons for first mode dynamics of periodic structures

NASA Astrophysics Data System (ADS)

Hobeck, Jared D.; Inman, Daniel J.

2017-05-01

Periodic structures are growing in popularity especially in the energy harvesting and metastructures communities. Common types of these unique structures are referred to in the literature as zigzag, orthogonal spiral, fan-folded, and longitudinal zigzag structures. Many of these studies on periodic structures have two competing goals in common: (a) minimizing natural frequency, and (b) minimizing mass or volume. These goals suggest that no single design is best for all applications; therefore, there is a need for design optimization and comparison tools which first require efficient easy-to-implement models. All available structural dynamics models for these types of structures do provide exact analytical solutions; however, they are complex requiring tedious implementation and providing more information than necessary for practical applications making them computationally inefficient. This paper presents experimentally validated recursive models that are able to very accurately and efficiently predict the dynamics of the four most common types of periodic structures. The proposed modeling technique employs a combination of static deflection formulae and Rayleigh’s Quotient to estimate the first mode shape and natural frequency of periodic structures having any number of beams. Also included in this paper are the results of an extensive experimental validation study which show excellent agreement between model prediction and measurement. Lastly, the proposed models are used to evaluate the performance of each type of structure. Results of this performance evaluation reveal key advantages and disadvantages associated with each type of structure.

Reference Models for Structural Technology Assessment and Weight Estimation

NASA Technical Reports Server (NTRS)

Cerro, Jeff; Martinovic, Zoran; Eldred, Lloyd

2005-01-01

Previously the Exploration Concepts Branch of NASA Langley Research Center has developed techniques for automating the preliminary design level of launch vehicle airframe structural analysis for purposes of enhancing historical regression based mass estimating relationships. This past work was useful and greatly reduced design time, however its application area was very narrow in terms of being able to handle a large variety in structural and vehicle general arrangement alternatives. Implementation of the analysis approach presented herein also incorporates some newly developed computer programs. Loft is a program developed to create analysis meshes and simultaneously define structural element design regions. A simple component defining ASCII file is read by Loft to begin the design process. HSLoad is a Visual Basic implementation of the HyperSizer Application Programming Interface, which automates the structural element design process. Details of these two programs and their use are explained in this paper. A feature which falls naturally out of the above analysis paradigm is the concept of "reference models". The flexibility of the FEA based JAVA processing procedures and associated process control classes coupled with the general utility of Loft and HSLoad make it possible to create generic program template files for analysis of components ranging from something as simple as a stiffened flat panel, to curved panels, fuselage and cryogenic tank components, flight control surfaces, wings, through full air and space vehicle general arrangements.

Radiation Effects in Fission and Fusion Reactors

NASA Astrophysics Data System (ADS)

Odette, G. Robert; Wirth, Brian D.

Since the prediction of "Wigner disease" [1] and the subsequent observation of anisotropic growth of the graphite used in the Chicago Pile, the effects of radiation on materials has been an important technological concern. The broad field of radiation effects impacts many critical advanced technologies, ranging from semiconductor processing to severe materials degradation in nuclear reactor environments. Radiation effects also occur in many natural environments, ranging from deep space to inside the Earth's crust. As selected examples that involve many basic phenomena that cross-cut and illustrate the broader impacts of radiation exposure on materials, this article focuses on modeling microstructural changes in iron-based ferritic alloys under high-energy neutron irradiation relevant to light water fission reactor pressure vessels. We also touch briefly on radiation effects in structural alloys for fusion reactor first wall and blanket structures; in this case the focus is on modeling the evolution of self-interstitial atom clusters and dislocation loops. Note, since even the narrower topic of structural materials for nuclear energy applications encompass a vast literature dating from 1942, the references included in this article are primarily limited to these two narrower subjects. Thus, the references cited here are presented as examples, rather than comprehensive bibliographies. However, the interested reader is referred to proceedings of continuing symposia series that have been sponsored by several organizations, several monographs [2-4] and key journals (e.g., Journal of Nuclear Materials, Radiation Effects and Defects in Solids).

Structure of the Wechsler Intelligence Scale for Children--Fourth Edition among a national sample of referred students.

PubMed

Watkins, Marley W

2010-12-01

The structure of the Wechsler Intelligence Scale for Children-Fourth Edition (WISC-IV; D. Wechsler, 2003a) was analyzed via confirmatory factor analysis among a national sample of 355 students referred for psychoeducational evaluation by 93 school psychologists from 35 states. The structure of the WISC-IV core battery was best represented by four first-order factors as per D. Wechsler (2003b), plus a general intelligence factor in a direct hierarchical model. The general factor was the predominate source of variation among WISC-IV subtests, accounting for 48% of the total variance and 75% of the common variance. The largest 1st-order factor, Processing Speed, only accounted for 6.1% total and 9.5% common variance. Given these explanatory contributions, recommendations favoring interpretation of the 1st-order factor scores over the general intelligence score appear to be misguided.

Reference Structures: Stagnation, Progress, and Future Challenges.

ERIC Educational Resources Information Center

Greenberg, Jane

1997-01-01

Assesses the current state of reference structures in online public access catalogs (OPACs) in a framework defined by stagnation, progress, and future challenges. Outlines six areas for reference structure development. Twenty figures provide illustrations. (AEF)

The factor structure of the 12-item general health questionnaire (GHQ-12) in young Chinese civil servants.

PubMed

Liang, Ying; Wang, Lei; Yin, Xican

2016-09-26

The 12-item General Health Questionnaire (GHQ-12) is a commonly used screening instrument for measuring mental disorders. However, few studies have measured the mental health of Chinese professionals or explored the factor structure of the GHQ-12 through investigations of young Chinese civil servants. This study analyses the factor structure of the GHQ-12 on young Chinese civil servants. Respondents include 1051 participants from six cities in eastern China. Exploratory Factor Analysis (EFA) is used to identify the potential factor structure of the GHQ-12. Confirmatory Factor Analysis (CFA) models of previous studies are referred to for model fitting. The results indicate the GHQ-12 has very good reliability and validity. All ten CFA models are well fitted with the actual data. All the ten models are feasible and fit the data equally well. The Chinese version of the GHQ-12 is suitable for professional groups and can serve as a screening tool to detect anxiety and psychiatric disorders.

Testosterone and Occupational Achievement.

ERIC Educational Resources Information Center

Dabbs, James M., Jr.

1992-01-01

Archival data on 4,462 military veterans linked higher levels of serum testosterone to lower-status occupations. A structural equation model was supported in which higher testosterone, mediated through lower intellectual ability, greater antisocial behavior, and lower education, leads away from white-collar occupations. Contains 49 references.…

A Phrase-Based Matching Function.

ERIC Educational Resources Information Center

Galbiati, Giulia

1991-01-01

Describes the development of an information retrieval system designed for nonspecialist users that is based on the binary vector model. The syntactic structure of phrases used for indexing is examined, queries using an experimental collection of documents are described, and precision values are examined. (19 references) (LRW)

Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory.

PubMed

Imai, Takashi; Kovalenko, Andriy; Hirata, Fumio

2005-04-14

The three-dimensional reference interaction site model (3D-RISM) theory is applied to the analysis of hydration effects on the partial molar volume of proteins. For the native structure of some proteins, the partial molar volume is decomposed into geometric and hydration contributions using the 3D-RISM theory combined with the geometric volume calculation. The hydration contributions are correlated with the surface properties of the protein. The thermal volume, which is the volume of voids around the protein induced by the thermal fluctuation of water molecules, is directly proportional to the accessible surface area of the protein. The interaction volume, which is the contribution of electrostatic interactions between the protein and water molecules, is apparently governed by the charged atomic groups on the protein surface. The polar atomic groups do not make any contribution to the interaction volume. The volume differences between low- and high-pressure structures of lysozyme are also analyzed by the present method.

Stereotype content model across cultures: Towards universal similarities and some differences

PubMed Central

Cuddy, Amy J. C.; Fiske, Susan T.; Kwan, Virginia S. Y.; Glick, Peter; Demoulin, Stéphanie; Leyens, Jacques-Philippe; Bond, Michael Harris; Croizet, Jean-Claude; Ellemers, Naomi; Sleebos, Ed; Htun, Tin Tin; Kim, Hyun-Jeong; Maio, Greg; Perry, Judi; Petkova, Kristina; Todorov, Valery; Rodríguez-Bailón, Rosa; Morales, Elena; Moya, Miguel; Palacios, Marisol; Smith, Vanessa; Perez, Rolando; Vala, Jorge; Ziegler, Rene

2014-01-01

The stereotype content model (SCM) proposes potentially universal principles of societal stereotypes and their relation to social structure. Here, the SCM reveals theoretically grounded, cross-cultural, cross-groups similarities and one difference across 10 non-US nations. Seven European (individualist) and three East Asian (collectivist) nations (N = 1, 028) support three hypothesized cross-cultural similarities: (a) perceived warmth and competence reliably differentiate societal group stereotypes; (b) many out-groups receive ambivalent stereotypes (high on one dimension; low on the other); and (c) high status groups stereotypically are competent, whereas competitive groups stereotypically lack warmth. Data uncover one consequential cross-cultural difference: (d) the more collectivist cultures do not locate reference groups (in-groups and societal prototype groups) in the most positive cluster (high-competence/high-warmth), unlike individualist cultures. This demonstrates out-group derogation without obvious reference-group favouritism. The SCM can serve as a pancultural tool for predicting group stereotypes from structural relations with other groups in society, and comparing across societies. PMID:19178758

Evidence for Model-based Computations in the Human Amygdala during Pavlovian Conditioning

PubMed Central

Prévost, Charlotte; McNamee, Daniel; Jessup, Ryan K.; Bossaerts, Peter; O'Doherty, John P.

2013-01-01

Contemporary computational accounts of instrumental conditioning have emphasized a role for a model-based system in which values are computed with reference to a rich model of the structure of the world, and a model-free system in which values are updated without encoding such structure. Much less studied is the possibility of a similar distinction operating at the level of Pavlovian conditioning. In the present study, we scanned human participants while they participated in a Pavlovian conditioning task with a simple structure while measuring activity in the human amygdala using a high-resolution fMRI protocol. After fitting a model-based algorithm and a variety of model-free algorithms to the fMRI data, we found evidence for the superiority of a model-based algorithm in accounting for activity in the amygdala compared to the model-free counterparts. These findings support an important role for model-based algorithms in describing the processes underpinning Pavlovian conditioning, as well as providing evidence of a role for the human amygdala in model-based inference. PMID:23436990

TLS from fundamentals to practice

PubMed Central

Urzhumtsev, Alexandre; Afonine, Pavel V.; Adams, Paul D.

2014-01-01

The Translation-Libration-Screw-rotation (TLS) model of rigid-body harmonic displacements introduced in crystallography by Schomaker & Trueblood (1968) is now a routine tool in macromolecular studies and is a feature of most modern crystallographic structure refinement packages. In this review we consider a number of simple examples that illustrate important features of the TLS model. Based on these examples simplified formulae are given for several special cases that may occur in structure modeling and refinement. The derivation of general TLS formulae from basic principles is also provided. This manuscript describes the principles of TLS modeling, as well as some select algorithmic details for practical application. An extensive list of applications references as examples of TLS in macromolecular crystallography refinement is provided. PMID:25249713

The NASA High Speed ASE Project: Computational Analyses of a Low-Boom Supersonic Configuration

NASA Technical Reports Server (NTRS)

Silva, Walter A.; DeLaGarza, Antonio; Zink, Scott; Bounajem, Elias G.; Johnson, Christopher; Buonanno, Michael; Sanetrik, Mark D.; Yoo, Seung Y.; Kopasakis, George; Christhilf, David M.;

Experimental investigation of the auto-ignition characteristics of oxygenated reference fuel compounds

NASA Astrophysics Data System (ADS)

Walton, Stephen Michael

The increased use of biofuels presents an opportunity to improve combustion performance while simultaneously reducing greenhouse gases and pollutant emissions. This work focused on improving the fundamental understanding of the auto-ignition chemistry of oxygenated reference fuel compounds. A systematic study of the effects of ester structure on ignition chemistry was performed using the University of Michigan Rapid Compression Facility. The ignition properties of the ester compounds were investigated over a broad range of pressures (P=5-20 atm) and temperatures (T=850-1150 K) which are directly relevant to advanced combustion engine strategies. Ignition delay times for five esters were determined using the RCF. The esters were selected to systematically consider the chemical structure of the compounds. Three esters were saturated: methyl butanoate, butyl methanoate, and ethyl propanoate; and two were unsaturated: methyl crotonate and methyl trans-3-hexenoate. The unsaturated esters were more reactive than their saturated counterparts, with the largest unsaturated ester, methyl trans-3-hexenoate having the highest reactivity. Two isomers of the saturated esters, butyl methanoate and ethyl propanoate, were more reactive than the isomer methyl butanoate. The results are explained if we assume that butyl methanoate and ethyl propanoate form intermediate ring structures which decompose more rapidly than esters such as methyl butanoate, which do not form ring structures. Modeling studies of the reaction chemistry were conducted for methyl butanoate and ethyl propanoate, for which detailed mechanisms were available in the literature. The new experimental data indicated that literature rate coefficients for some of the methyl butanoate/HO2 reactions were too fast. Modifying these within the theoretical uncertainties for the reaction rates, led to excellent agreement between the model predictions and the experimental data. Comparison of the modeling results with the intermediates measured during methyl butanoate ignition indicated that pathways leading to the formation of small hydrocarbons are relatively well represented in the reaction mechanism. The results of this work provide archival benchmark data for improved understanding of the dominant reaction pathways and species controlling the auto-ignition of oxygenated reference fuel compounds. These data also provide a path for continued development of chemical kinetic models to optimize practical combustion systems.

The relationship between dermal papillary structure and skin surface properties, color, and elasticity.

PubMed

Mizukoshi, K; Nakamura, T; Oba, A

2016-08-01

The skin contains an undulating structure called the dermal papillary structure between the border of the epidermis and dermis. The physiological importance of the dermal papillary structures has been discussed, however, the dermal papillary structures have never been evaluated for their contribution to skin appearance. In this study, we investigated the correlation between the dermal papillary structure and skin color and elasticity. In addition, the relationship was validated with skin model experiments. The dermal papillary structures in the skin of the female cheek were quantitatively measured by in vivo confocal laser scanning microscopy images. In addition, the skin color and elasticity were measured at the same site. A skin model with dermal papilla-like structures was created by referring to the optical and shape properties of the skin using agar gel and a scattering sheet. Correlations were found between the dermal papillary structures and skin color irregularity and skin elasticity. These relationships were verified by the experiments employing a skin model. The results of this study indicated that the dermal papillary structure is also an important factor for skin appearance such as color and elasticity. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Instinct as interactive structure: Freud's psychoanalysis in historical and metatheoretical perspective.

PubMed

Jovanović, Gordana

2005-01-01

When Freud began formulating the basic postulates of psychoanalytic theory the concept of instinct was in widespread use. There are very different models of conceptualizing instincts in psychoanalysis: reflex arc, representation, interaction, subject and finally a regressive structure. Freud revised the traditional concept of instinct and his models formed a peculiar metatheoretical history of psychoanalysis. Defining human nature by reference to its determining instinctive essence and commitment to the ideal of natural science led Freud to a naturalistic fallacy. Yet at the same time the hermeneutics of instinct theory reveal a socio-historical meaning of naturalism.

Electrical resistivity of liquid lanthanides using charge hard sphere system

NASA Astrophysics Data System (ADS)

Sonvane, Y. A.; Thakor, P. B.; Jani, A. R.

2013-06-01

In the present paper, we have studied electrical resistivity (ρ) of liquid lanthanides. To describe the structural information, the structure factor S(q) due to the charged hard sphere (CHS) reference systems is used along with our newly constructed model potential. To see the influence of exchange and correlation effect on the electrical resistivity (ρ) have used different local field correction functions like Hartree (H), Sarkar et al (S) and Taylor (T). Lastly we conclude that the proper choice of the model potential along with local field correction function plays a vital role to the study of the electrical resistivity (ρ).

Interoperability of clinical decision-support systems and electronic health records using archetypes: a case study in clinical trial eligibility.

PubMed

Marcos, Mar; Maldonado, Jose A; Martínez-Salvador, Begoña; Boscá, Diego; Robles, Montserrat

2013-08-01

Clinical decision-support systems (CDSSs) comprise systems as diverse as sophisticated platforms to store and manage clinical data, tools to alert clinicians of problematic situations, or decision-making tools to assist clinicians. Irrespective of the kind of decision-support task CDSSs should be smoothly integrated within the clinical information system, interacting with other components, in particular with the electronic health record (EHR). However, despite decades of developments, most CDSSs lack interoperability features. We deal with the interoperability problem of CDSSs and EHRs by exploiting the dual-model methodology. This methodology distinguishes a reference model and archetypes. A reference model is represented by a stable and small object-oriented model that describes the generic properties of health record information. For their part, archetypes are reusable and domain-specific definitions of clinical concepts in the form of structured and constrained combinations of the entities of the reference model. We rely on archetypes to make the CDSS compatible with EHRs from different institutions. Concretely, we use archetypes for modelling the clinical concepts that the CDSS requires, in conjunction with a series of knowledge-intensive mappings relating the archetypes to the data sources (EHR and/or other archetypes) they depend on. We introduce a comprehensive approach, including a set of tools as well as methodological guidelines, to deal with the interoperability of CDSSs and EHRs based on archetypes. Archetypes are used to build a conceptual layer of the kind of a virtual health record (VHR) over the EHR whose contents need to be integrated and used in the CDSS, associating them with structural and terminology-based semantics. Subsequently, the archetypes are mapped to the EHR by means of an expressive mapping language and specific-purpose tools. We also describe a case study where the tools and methodology have been employed in a CDSS to support patient recruitment in the framework of a clinical trial for colorectal cancer screening. The utilisation of archetypes not only has proved satisfactory to achieve interoperability between CDSSs and EHRs but also offers various advantages, in particular from a data model perspective. First, the VHR/data models we work with are of a high level of abstraction and can incorporate semantic descriptions. Second, archetypes can potentially deal with different EHR architectures, due to their deliberate independence of the reference model. Third, the archetype instances we obtain are valid instances of the underlying reference model, which would enable e.g. feeding back the EHR with data derived by abstraction mechanisms. Lastly, the medical and technical validity of archetype models would be assured, since in principle clinicians should be the main actors in their development. Copyright © 2013 Elsevier Inc. All rights reserved.

Establishing gene models from the Pinus pinaster genome using gene capture and BAC sequencing.

PubMed

Seoane-Zonjic, Pedro; Cañas, Rafael A; Bautista, Rocío; Gómez-Maldonado, Josefa; Arrillaga, Isabel; Fernández-Pozo, Noé; Claros, M Gonzalo; Cánovas, Francisco M; Ávila, Concepción

2016-02-27

In the era of DNA throughput sequencing, assembling and understanding gymnosperm mega-genomes remains a challenge. Although drafts of three conifer genomes have recently been published, this number is too low to understand the full complexity of conifer genomes. Using techniques focused on specific genes, gene models can be established that can aid in the assembly of gene-rich regions, and this information can be used to compare genomes and understand functional evolution. In this study, gene capture technology combined with BAC isolation and sequencing was used as an experimental approach to establish de novo gene structures without a reference genome. Probes were designed for 866 maritime pine transcripts to sequence genes captured from genomic DNA. The gene models were constructed using GeneAssembler, a new bioinformatic pipeline, which reconstructed over 82% of the gene structures, and a high proportion (85%) of the captured gene models contained sequences from the promoter regulatory region. In a parallel experiment, the P. pinaster BAC library was screened to isolate clones containing genes whose cDNA sequence were already available. BAC clones containing the asparagine synthetase, sucrose synthase and xyloglucan endotransglycosylase gene sequences were isolated and used in this study. The gene models derived from the gene capture approach were compared with the genomic sequences derived from the BAC clones. This combined approach is a particularly efficient way to capture the genomic structures of gene families with a small number of members. The experimental approach used in this study is a valuable combined technique to study genomic gene structures in species for which a reference genome is unavailable. It can be used to establish exon/intron boundaries in unknown gene structures, to reconstruct incomplete genes and to obtain promoter sequences that can be used for transcriptional studies. A bioinformatics algorithm (GeneAssembler) is also provided as a Ruby gem for this class of analyses.

Building the atomic model of a boreal lake virus of unknown fold in a 3.9 Å cryo-EM map.

PubMed

De Colibus, Luigi; Stuart, David I

2018-04-01

We report here the protocol adopted to build the atomic model of the newly discovered virus FLiP (Flavobacterium infecting, lipid-containing phage) into 3.9 Å cryo-electron microscopy (cryo-EM) maps. In particular, this report discusses the combination of density modification procedures, automatic model building and bioinformatics tools applied to guide the tracing of the major capsid protein (MCP) of this virus. The protocol outlined here may serve as a reference for future structural determination by cryo-EM of viruses lacking detectable structural homologues. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.

Estimation of the characteristic parameters of the multilayered film model using the patterson differential function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Astaf'ev, S. B., E-mail: webmaster@ns.crys.ras.ru; Shchedrin, B. M.; Yanusova, L. G.

The possibility of estimating the layered film structural parameters by constructing the autocorrelation function P{sub F}(z) (referred to as the Patterson differential function) for the derivative d{rho}/dz of electron density along the normal to the sample surface has been considered. An analytical expression P{sub F}(z) is presented for a multilayered film within the box model of the electron density profile. The possibilities of selecting structural information about layered films by analyzing the features of this function are demonstrated by model and real examples, in particular, by applying the method of shifted systems of peaks for the function P{sub F}(z).

Structure factor of liquid alkali metals using a classical-plasma reference system

NASA Astrophysics Data System (ADS)

Pastore, G.; Tosi, M. P.

1984-06-01

This paper presents calculations of the liquid structure factor of the alkali metals near freezing, starting from the classical plasma of bare ions as reference liquid. The indirect ion-ion interaction arising from electronic screening is treated by an optimized random phase approximation (ORPA), imposing physical requirements as in the original ORPA scheme developed by Weeks, Chandler and Andersen for liquids with strongly repulsive core potentials. A comparison of the results with computer simulation data for a model of liquid rubidium shows that the present approach overcomes the well-known difficulties met in applying to these metals the standard ORPA based on a reference liquid of neutral hard spheres. The optimization scheme is also shown to be equivalent to a reduction of the range of the indirect interaction in momentum space, as proposed empirically in an earlier work. Comparison with experiment for the other alkalis shows that a good overall representation of the data can be obtained for sodium, potassium and cesium, but not for lithium, when one uses a very simple form of the electron-ion potential adjusted to the liquid compressibility. The small-angle scattering region is finally examined more carefully in the light of recent data of Waseda, with a view to possible refinements of the pseudopotential model.

Validating archetypes for the Multiple Sclerosis Functional Composite.

PubMed

Braun, Michael; Brandt, Alexander Ulrich; Schulz, Stefan; Boeker, Martin

2014-08-03

Numerous information models for electronic health records, such as openEHR archetypes are available. The quality of such clinical models is important to guarantee standardised semantics and to facilitate their interoperability. However, validation aspects are not regarded sufficiently yet. The objective of this report is to investigate the feasibility of archetype development and its community-based validation process, presuming that this review process is a practical way to ensure high-quality information models amending the formal reference model definitions. A standard archetype development approach was applied on a case set of three clinical tests for multiple sclerosis assessment: After an analysis of the tests, the obtained data elements were organised and structured. The appropriate archetype class was selected and the data elements were implemented in an iterative refinement process. Clinical and information modelling experts validated the models in a structured review process. Four new archetypes were developed and publicly deployed in the openEHR Clinical Knowledge Manager, an online platform provided by the openEHR Foundation. Afterwards, these four archetypes were validated by domain experts in a team review. The review was a formalised process, organised in the Clinical Knowledge Manager. Both, development and review process turned out to be time-consuming tasks, mostly due to difficult selection processes between alternative modelling approaches. The archetype review was a straightforward team process with the goal to validate archetypes pragmatically. The quality of medical information models is crucial to guarantee standardised semantic representation in order to improve interoperability. The validation process is a practical way to better harmonise models that diverge due to necessary flexibility left open by the underlying formal reference model definitions.This case study provides evidence that both community- and tool-enabled review processes, structured in the Clinical Knowledge Manager, ensure archetype quality. It offers a pragmatic but feasible way to reduce variation in the representation of clinical information models towards a more unified and interoperable model.

Validating archetypes for the Multiple Sclerosis Functional Composite

PubMed Central

2014-01-01

Background Numerous information models for electronic health records, such as openEHR archetypes are available. The quality of such clinical models is important to guarantee standardised semantics and to facilitate their interoperability. However, validation aspects are not regarded sufficiently yet. The objective of this report is to investigate the feasibility of archetype development and its community-based validation process, presuming that this review process is a practical way to ensure high-quality information models amending the formal reference model definitions. Methods A standard archetype development approach was applied on a case set of three clinical tests for multiple sclerosis assessment: After an analysis of the tests, the obtained data elements were organised and structured. The appropriate archetype class was selected and the data elements were implemented in an iterative refinement process. Clinical and information modelling experts validated the models in a structured review process. Results Four new archetypes were developed and publicly deployed in the openEHR Clinical Knowledge Manager, an online platform provided by the openEHR Foundation. Afterwards, these four archetypes were validated by domain experts in a team review. The review was a formalised process, organised in the Clinical Knowledge Manager. Both, development and review process turned out to be time-consuming tasks, mostly due to difficult selection processes between alternative modelling approaches. The archetype review was a straightforward team process with the goal to validate archetypes pragmatically. Conclusions The quality of medical information models is crucial to guarantee standardised semantic representation in order to improve interoperability. The validation process is a practical way to better harmonise models that diverge due to necessary flexibility left open by the underlying formal reference model definitions. This case study provides evidence that both community- and tool-enabled review processes, structured in the Clinical Knowledge Manager, ensure archetype quality. It offers a pragmatic but feasible way to reduce variation in the representation of clinical information models towards a more unified and interoperable model. PMID:25087081

A New Comprehensive Model for Crustal and Upper Mantle Structure of the European Plate

NASA Astrophysics Data System (ADS)

Morelli, A.; Danecek, P.; Molinari, I.; Postpischl, L.; Schivardi, R.; Serretti, P.; Tondi, M. R.

2009-12-01

We present a new comprehensive model of crustal and upper mantle structure of the whole European Plate — from the North Atlantic ridge to Urals, and from North Africa to the North Pole — describing seismic speeds (P and S) and density. Our description of crustal structure merges information from previous studies: large-scale compilations, seismic prospection, receiver functions, inversion of surface wave dispersion measurements and Green functions from noise correlation. We use a simple description of crustal structure, with laterally-varying sediment and cristalline layers thickness and seismic parameters. Most original information refers to P-wave speed, from which we derive S speed and density from scaling relations. This a priori crustal model by itself improves the overall fit to observed Bouguer anomaly maps, as derived from GRACE satellite data, over CRUST2.0. The new crustal model is then used as a constraint in the inversion for mantle shear wave speed, based on fitting Love and Rayleigh surface wave dispersion. In the inversion for transversely isotropic mantle structure, we use group speed measurements made on European event-to-station paths, and use a global a priori model (S20RTS) to ensure fair rendition of earth structure at depth and in border areas with little coverage from our data. The new mantle model sensibly improves over global S models in the imaging of shallow asthenospheric (slow) anomalies beneath the Alpine mobile belt, and fast lithospheric signatures under the two main Mediterranean subduction systems (Aegean and Tyrrhenian). We map compressional wave speed inverting ISC travel times (reprocessed by Engdahl et al.) with a non linear inversion scheme making use of finite-difference travel time calculation. The inversion is based on an a priori model obtained by scaling the 3D mantle S-wave speed to P. The new model substantially confirms images of descending lithospheric slabs and back-arc shallow asthenospheric regions, shown in other more local high-resolution tomographic studies, but covers the whole range of the European Plate. We also obtain three-dimensional mantle density structure by inversion of GRACE Bouguer anomalies locally adjusting density and the scaling relation between seismic wave speeds and density. We validate the new comprehensive model through comparison of recorded seismograms with numerical simulations based on SPECFEM3D. This work is a contribution towards the definition of a reference earth model for Europe. To this extent, in order to improve model dissemination and comparison, we propose the adoption of a common exchange format for tomographic earth models based on JSON, a lightweight data-interchange format supported by most high-level programming languages. We provide tools for manipulating and visualising models, described in this standard format, in Google Earth and GEON IDV.

"Best Practices" and Collaborative Software in Online Teaching

ERIC Educational Resources Information Center

Tremblay, Remi

2006-01-01

In recent years, many distance educators and institutions have successfully adopted asynchronous text-based environments as the backbone of their online classrooms. Group email, electronic references, and course websites, coupled with online discussions, typically constitute the model of online course delivery. Although the structure and pacing of…

On the consistency of tomographically imaged lower mantle slabs

NASA Astrophysics Data System (ADS)

Shephard, Grace E.; Matthews, Kara J.; Hosseini, Kasra; Domeier, Mathew

2017-04-01

Over the last few decades numerous seismic tomography models have been published, each constructed with choices of data input, parameterization and reference model. The broader geoscience community is increasingly utilizing these models, or a selection thereof, to interpret Earth's mantle structure and processes. It follows that seismically identified remnants of subducted slabs have been used to validate, test or refine relative plate motions, absolute plate reference frames, and mantle sinking rates. With an increasing number of models to include, or exclude, the question arises - how robust is a given positive seismic anomaly, inferred to be a slab, across a given suite of tomography models? Here we generate a series of "vote maps" for the lower mantle by comparing 14 seismic tomography models, including 7 s-wave and 7 p-wave. Considerations include the retention or removal of the mean, the use of a consistent or variable reference model, the statistical value which defines the slab "contour", and the effect of depth interpolation. Preliminary results will be presented that address the depth, location and degree of agreement between seismic tomography models, both for the 14 combined, and between the p-waves and s-waves. The analysis also permits a broader discussion of slab volumes and subduction flux. And whilst the location and geometry of slabs, matches some the documented regions of long-lived subduction, other features do not, illustrating the importance of a robust approach to slab identification.

Track structure in biological models.

PubMed

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.

Compliant Robotic Structures. Part 2

DTIC Science & Technology

1986-07-01

Nonaxially Homogeneous Stresses and Strains 44 Parametric Studies 52 % References 65 III. LARGE DEFLECTIONS OF CONTINUOUS ELASTIC ’- STRUCTURES 66...APPENDIX C: Computer Program for the Element String 133 -° SUMMARY This is the second year report which is a part of a three- year study on compliant...ratios as high as 10/1 for laboratory-scale models and up to 3/1 for full-scale prototype arms. The first two years of this study have involved the

Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectra.

PubMed

Giacomazzi, Luigi; Umari, P; Pasquarello, Alfredo

2005-08-12

We analyze the principal vibrational spectra of vitreous GeO(2) and derive therefrom structural properties referring to length scales beyond the basic tetrahedral unit. We generate a model structure that yields a neutron structure factor in accord with experiment. The inelastic-neutron, the infrared, and the Raman spectra, calculated within a density-functional approach, also agree with respective experimental spectra. The accord for the Raman spectrum supports a Ge-O-Ge angle distribution centered at 135 degrees. The Raman feature X(2) is found to result from vibrations in three-membered rings, and therefore constitutes a distinctive characteristic of the medium-range structure.

Minimum spanning tree analysis of the human connectome

PubMed Central

Sommer, Iris E.; Bohlken, Marc M.; Tewarie, Prejaas; Draaisma, Laurijn; Zalesky, Andrew; Di Biase, Maria; Brown, Jesse A.; Douw, Linda; Otte, Willem M.; Mandl, René C.W.; Stam, Cornelis J.

2018-01-01

Abstract One of the challenges of brain network analysis is to directly compare network organization between subjects, irrespective of the number or strength of connections. In this study, we used minimum spanning tree (MST; a unique, acyclic subnetwork with a fixed number of connections) analysis to characterize the human brain network to create an empirical reference network. Such a reference network could be used as a null model of connections that form the backbone structure of the human brain. We analyzed the MST in three diffusion‐weighted imaging datasets of healthy adults. The MST of the group mean connectivity matrix was used as the empirical null‐model. The MST of individual subjects matched this reference MST for a mean 58%–88% of connections, depending on the analysis pipeline. Hub nodes in the MST matched with previously reported locations of hub regions, including the so‐called rich club nodes (a subset of high‐degree, highly interconnected nodes). Although most brain network studies have focused primarily on cortical connections, cortical–subcortical connections were consistently present in the MST across subjects. Brain network efficiency was higher when these connections were included in the analysis, suggesting that these tracts may be utilized as the major neural communication routes. Finally, we confirmed that MST characteristics index the effects of brain aging. We conclude that the MST provides an elegant and straightforward approach to analyze structural brain networks, and to test network topological features of individual subjects in comparison to empirical null models. PMID:29468769

A finite element model of rigid body structures actuated by dielectric elastomer actuators

NASA Astrophysics Data System (ADS)

Simone, F.; Linnebach, P.; Rizzello, G.; Seelecke, S.

2018-06-01

This paper presents on finite element (FE) modeling and simulation of dielectric elastomer actuators (DEAs) coupled with articulated structures. DEAs have proven to represent an effective transduction technology for the realization of large deformation, low-power consuming, and fast mechatronic actuators. However, the complex dynamic behavior of the material, characterized by nonlinearities and rate-dependent phenomena, makes it difficult to accurately model and design DEA systems. The problem is further complicated in case the DEA is used to activate articulated structures, which increase both system complexity and implementation effort of numerical simulation models. In this paper, we present a model based tool which allows to effectively implement and simulate complex articulated systems actuated by DEAs. A first prototype of a compact switch actuated by DEA membranes is chosen as reference study to introduce the methodology. The commercially available FE software COMSOL is used for implementing and coupling a physics-based dynamic model of the DEA with the external structure, i.e., the switch. The model is then experimentally calibrated and validated in both quasi-static and dynamic loading conditions. Finally, preliminary results on how to use the simulation tool to optimize the design are presented.

Predicting the accuracy of ligand overlay methods with Random Forest models.

PubMed

Nandigam, Ravi K; Evans, David A; Erickson, Jon A; Kim, Sangtae; Sutherland, Jeffrey J

2008-12-01

The accuracy of binding mode prediction using standard molecular overlay methods (ROCS, FlexS, Phase, and FieldCompare) is studied. Previous work has shown that simple decision tree modeling can be used to improve accuracy by selection of the best overlay template. This concept is extended to the use of Random Forest (RF) modeling for template and algorithm selection. An extensive data set of 815 ligand-bound X-ray structures representing 5 gene families was used for generating ca. 70,000 overlays using four programs. RF models, trained using standard measures of ligand and protein similarity and Lipinski-related descriptors, are used for automatically selecting the reference ligand and overlay method maximizing the probability of reproducing the overlay deduced from X-ray structures (i.e., using rmsd < or = 2 A as the criteria for success). RF model scores are highly predictive of overlay accuracy, and their use in template and method selection produces correct overlays in 57% of cases for 349 overlay ligands not used for training RF models. The inclusion in the models of protein sequence similarity enables the use of templates bound to related protein structures, yielding useful results even for proteins having no available X-ray structures.

Construction of a three-dimensional interactive model of the skull base and cranial nerves.

PubMed

Kakizawa, Yukinari; Hongo, Kazuhiro; Rhoton, Albert L

2007-05-01

The goal was to develop an interactive three-dimensional (3-D) computerized anatomic model of the skull base for teaching microneurosurgical anatomy and for operative planning. The 3-D model was constructed using commercially available software (Maya 6.0 Unlimited; Alias Systems Corp., Delaware, MD), a personal computer, four cranial specimens, and six dry bones. Photographs from at least two angles of the superior and lateral views were imported to the 3-D software. Many photographs were needed to produce the model in anatomically complex areas. Careful dissection was needed to expose important structures in the two views. Landmarks, including foramen, bone, and dura mater, were used as reference points. The 3-D model of the skull base and related structures was constructed using more than 300,000 remodeled polygons. The model can be viewed from any angle. It can be rotated 360 degrees in any plane using any structure as the focal point of rotation. The model can be reduced or enlarged using the zoom function. Variable transparencies could be assigned to any structures so that the structures at any level can be seen. Anatomic labels can be attached to the structures in the 3-D model for educational purposes. This computer-generated 3-D model can be observed and studied repeatedly without the time limitations and stresses imposed by surgery. This model may offer the potential to create interactive surgical exercises useful in evaluating multiple surgical routes to specific target areas in the skull base.

Shuttle derived atmospheric density model. Part 2: STS atmospheric implications for AOTV trajectory analysis, a proposed GRAM perturbation density model

NASA Technical Reports Server (NTRS)

Findlay, J. T.; Kelly, G. M.; Troutman, P. A.

1984-01-01

A perturbation model to the Marshall Space Flight Center (MSFC) Global Reference Atmosphere Model (GRAM) was developed for use in the Aeroassist Orbital Transfer Vehicle (AOTV) trajectory and analysis. The model reflects NASA Space Shuttle experience over the first twelve entry flights. The GRAM was selected over the Air Force 1978 Reference Model because of its more general formulation and wider use throughout NASA. The add-on model, a simple scaling with altitude to reflect density structure encountered by the Shuttle Orbiter was selected principally to simplify implementation. Perturbations, by season, can be utilized to minimize the number of required simulations, however, exact Shuttle flight history can be exercised using the same model if desired. Such a perturbation model, though not meteorologically motivated, enables inclusion of High Resolution Accelerometer Package (HiRAP) results in the thermosphere. Provision is made to incorporate differing perturbations during the AOTV entry and exit phases of the aero-asist maneuver to account for trajectory displacement (geographic) along the ground track.

Clar theory and resonance energy

NASA Astrophysics Data System (ADS)

Gutman, Ivan; Gojak, Sabina; Furtula, Boris

2005-09-01

A mathematical model, referred here as the Zhang-Zhang polynomial ζ( x), that embraces all the main concepts encountered in the Clar aromatic sextet theory of benzenoid hydrocarbons, was recently put forward by Zhang and Zhang. We now show that ζ( x) is related to resonance energy, and that ln ζ( x) and RE are best correlated when x ≈ 1. This indicates that ζ(1) could be viewed as a (novel) structure-descriptor, playing a role analogous to the Kekulé structure count in Kekulé-structure-based theories. Some basic properties of ζ(1) are established.

Protein Loop Structure Prediction Using Conformational Space Annealing.

PubMed

Heo, Seungryong; Lee, Juyong; Joo, Keehyoung; Shin, Hang-Cheol; Lee, Jooyoung

2017-05-22

We have developed a protein loop structure prediction method by combining a new energy function, which we call E PLM (energy for protein loop modeling), with the conformational space annealing (CSA) global optimization algorithm. The energy function includes stereochemistry, dynamic fragment assembly, distance-scaled finite ideal gas reference (DFIRE), and generalized orientation- and distance-dependent terms. For the conformational search of loop structures, we used the CSA algorithm, which has been quite successful in dealing with various hard global optimization problems. We assessed the performance of E PLM with two widely used loop-decoy sets, Jacobson and RAPPER, and compared the results against the DFIRE potential. The accuracy of model selection from a pool of loop decoys as well as de novo loop modeling starting from randomly generated structures was examined separately. For the selection of a nativelike structure from a decoy set, E PLM was more accurate than DFIRE in the case of the Jacobson set and had similar accuracy in the case of the RAPPER set. In terms of sampling more nativelike loop structures, E PLM outperformed E DFIRE for both decoy sets. This new approach equipped with E PLM and CSA can serve as the state-of-the-art de novo loop modeling method.

Analysis and testing of a space crane articulating joint testbed

NASA Technical Reports Server (NTRS)

Sutter, Thomas R.; Wu, K. Chauncey

1992-01-01

The topics are presented in viewgraph form and include: space crane concept with mobile base; mechanical versus structural articulating joint; articulating joint test bed and reference truss; static and dynamic characterization completed for space crane reference truss configuration; improved linear actuators reduce articulating joint test bed backlash; 1-DOF space crane slew maneuver; boom 2 tip transient response finite element dynamic model; boom 2 tip transient response shear-corrected component modes torque driver profile; peak root member force vs. slew time torque driver profile; and open loop control of space crane motion.

NChina16: A stable geodetic reference frame for geological hazard studies in north China

NASA Astrophysics Data System (ADS)

Wang, G.; Yan, B.; Gan, W.; Geng, J.

2017-12-01

This study established a stable North China Reference Frame 2016 (NChina16) using five years of continuous GPS observations (2011.8 to 2016.8) from 12 continuously operating reference stations (CORS) fixed to the stable interior of the North China Craton. Applications of NChina16 in landslide, subsidence, and post-seismic displacement studies are illustrated. The primary result of this study is the seven parameters for transforming Cartesian ECEF (Earth-Centered, Earth-Fixed) coordinates X, Y, and Z from the International GNSS Service Reference Frame 2008 (IGS08) to NChina16. The seven parameters include the epoch that is used to tie the regional reference frame to IGS08 and the time derivatives of three translations and three rotations. A method for developing a regional geodetic reference frame is introduced in detail. The GIPSY-OASIS (V6.4) software package was used to obtain the precise point positioning (PPP) time series with respect to IGS08. The stability (accuracy) of NChina16 is about 0.5 mm/year in both vertical and horizontal directions. This study also developed a regional seasonal model for correcting vertical displacement time series data derived from the PPP solutions. Long-term GPS observations (1999-2016) from five CORS in north China were used to develop the seasonal model. According to this study, the PPP daily solutions with respect to NChina16 could achieve 2-3 mm horizontal accuracy and 4-5 mm vertical accuracy after being modified by the regional model. NChina16 will be critical to the long-term landslide, subsidence, fault, and structural monitoring in north China and for ongoing post-seismic crustal deformation studies in Japan. NChina16 will be incrementally improved and synchronized with the IGS reference frame update.

Methodology for analysis and simulation of large multidisciplinary problems

NASA Technical Reports Server (NTRS)

Russell, William C.; Ikeda, Paul J.; Vos, Robert G.

1989-01-01

The Integrated Structural Modeling (ISM) program is being developed for the Air Force Weapons Laboratory and will be available for Air Force work. Its goal is to provide a design, analysis, and simulation tool intended primarily for directed energy weapons (DEW), kinetic energy weapons (KEW), and surveillance applications. The code is designed to run on DEC (VMS and UNIX), IRIS, Alliant, and Cray hosts. Several technical disciplines are included in ISM, namely structures, controls, optics, thermal, and dynamics. Four topics from the broad ISM goal are discussed. The first is project configuration management and includes two major areas: the software and database arrangement and the system model control. The second is interdisciplinary data transfer and refers to exchange of data between various disciplines such as structures and thermal. Third is a discussion of the integration of component models into one system model, i.e., multiple discipline model synthesis. Last is a presentation of work on a distributed processing computing environment.

Structure and Thermodynamics of Polyolefin Melts

NASA Astrophysics Data System (ADS)

Weinhold, J. D.; Curro, J. G.; Habenschuss, A.; Londono, J. D.

1997-03-01

Subtle differences in the intermolecular packing of various polyolefins can create dissimilar permeability and mixing behavior. We have used a combination of the Polymer Reference Interaction Site Model (PRISM) and Monte Carlo simulation to study the structural and thermodynamic properties of realistic models for polyolefins. Results for polyisobutylene and syndiotactic polypropylene will be presented along with comparisons to wide-angle x-ray scattering experiments and properties determined from previous studies of polyethylene and isotactic polypropylene. Our technique uses a Monte Carlo simulation on an isolated molecule to determine the polymer's intramolecular structure. With this information, PRISM theory can predict the intermolecular packing for any liquid density and/or mixture composition in a computationally efficient manner. This approach will then be used to explore the mixing behavior of these polyolefins.

Langmuir Probe Measurements in an Inductively Coupled GEC Reference Cell Plasma

NASA Technical Reports Server (NTRS)

Ji, J. S.; Kim, J. S.; Cappelli, M. A.; Sharma, S. P.; Arnold, J. O. (Technical Monitor)

1998-01-01

Measurements of electron number density, electron temperature, and electron energy distribution function (EEDF) using a compensated Langmuir probe have been performed on an inductively (transformer ) coupled Gaseous Electronics Conference (GEC) reference cell plasma. The plasma source is operated with CH4, CF4, or their mixtures with argon. The effect of independently driving the electrode supporting the wafer on the probe data is studied. In particular, we find that the plasma structure depends on the phase in addition to the magnitude of the power coupled to the electrode relative to that of the transformer coil. The Langmuir probe is translated in a plane parallel to the electrode to investigate the spatial structure of the plasma. The probe data is also compared with fluid model predictions.

Linear static structural and vibration analysis on high-performance computers

NASA Technical Reports Server (NTRS)

Baddourah, M. A.; Storaasli, O. O.; Bostic, S. W.

1993-01-01

Parallel computers offer the oppurtunity to significantly reduce the computation time necessary to analyze large-scale aerospace structures. This paper presents algorithms developed for and implemented on massively-parallel computers hereafter referred to as Scalable High-Performance Computers (SHPC), for the most computationally intensive tasks involved in structural analysis, namely, generation and assembly of system matrices, solution of systems of equations and calculation of the eigenvalues and eigenvectors. Results on SHPC are presented for large-scale structural problems (i.e. models for High-Speed Civil Transport). The goal of this research is to develop a new, efficient technique which extends structural analysis to SHPC and makes large-scale structural analyses tractable.

Decoupling feedforward and feedback structures in hybrid active noise control systems for uncorrelated narrowband disturbances

NASA Astrophysics Data System (ADS)

Wu, Lifu; Qiu, Xiaojun; Burnett, Ian S.; Guo, Yecai

2015-08-01

Hybrid feedforward and feedback structures are useful for active noise control (ANC) applications where the noise can only be partially obtained with reference sensors. The traditional method uses the secondary signals of both the feedforward and feedback structures to synthesize a reference signal for the feedback structure in the hybrid structure. However, this approach introduces coupling between the feedforward and feedback structures and parameter changes in one structure affect the other during adaptation such that the feedforward and feedback structures must be optimized simultaneously in practical ANC system design. Two methods are investigated in this paper to remove such coupling effects. One is a simplified method, which uses the error signal directly as the reference signal in the feedback structure, and the second method generates the reference signal for the feedback structure by using only the secondary signal from the feedback structure and utilizes the generated reference signal as the error signal of the feedforward structure. Because the two decoupling methods can optimize the feedforward and feedback structures separately, they provide more flexibility in the design and optimization of the adaptive filters in practical ANC applications.

Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin

PubMed Central

Imai, Takashi; Ohyama, Shusaku; Kovalenko, Andriy; Hirata, Fumio

2007-01-01

The partial molar volume (PMV) change associated with the pressure-induced structural transition of ubiquitin is analyzed by the three-dimensional reference interaction site model (3D-RISM) theory of molecular solvation. The theory predicts that the PMV decreases upon the structural transition, which is consistent with the experimental observation. The volume decomposition analysis demonstrates that the PMV reduction is primarily caused by the decrease in the volume of structural voids in the protein, which is partially canceled by the volume expansion due to the hydration effects. It is found from further analysis that the PMV reduction is ascribed substantially to the penetration of water molecules into a specific part of the protein. Based on the thermodynamic relation, this result implies that the water penetration causes the pressure-induced structural transition. It supports the water penetration model of pressure denaturation of proteins proposed earlier. PMID:17660257

Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin.

PubMed

Imai, Takashi; Ohyama, Shusaku; Kovalenko, Andriy; Hirata, Fumio

2007-09-01

The partial molar volume (PMV) change associated with the pressure-induced structural transition of ubiquitin is analyzed by the three-dimensional reference interaction site model (3D-RISM) theory of molecular solvation. The theory predicts that the PMV decreases upon the structural transition, which is consistent with the experimental observation. The volume decomposition analysis demonstrates that the PMV reduction is primarily caused by the decrease in the volume of structural voids in the protein, which is partially canceled by the volume expansion due to the hydration effects. It is found from further analysis that the PMV reduction is ascribed substantially to the penetration of water molecules into a specific part of the protein. Based on the thermodynamic relation, this result implies that the water penetration causes the pressure-induced structural transition. It supports the water penetration model of pressure denaturation of proteins proposed earlier.

Giant amplification in degenerate band edge slow-wave structures interacting with an electron beam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Othman, Mohamed A. K.; Veysi, Mehdi; Capolino, Filippo

2016-03-15

We propose a new amplification regime based on a synchronous operation of four degenerate electromagnetic (EM) modes in a slow-wave structure and the electron beam, referred to as super synchronization. These four EM modes arise in a Fabry-Pérot cavity when degenerate band edge (DBE) condition is satisfied. The modes interact constructively with the electron beam resulting in superior amplification. In particular, much larger gains are achieved for smaller beam currents compared to conventional structures based on synchronization with only a single EM mode. We demonstrate giant gain scaling with respect to the length of the slow-wave structure compared to conventionalmore » Pierce type single mode traveling wave tube amplifiers. We construct a coupled transmission line model for a loaded waveguide slow-wave structure exhibiting a DBE, and investigate the phenomenon of giant gain via super synchronization using the Pierce model generalized to multimode interaction.« less

Handling of subpixel structures in the application of satellite derived irradiance data for solar energy system analysis - a review

NASA Astrophysics Data System (ADS)

Beyer, Hans Georg

2016-04-01

With the increasing availability of satellite derived irradiance information, this type of data set is more and more in use for the design and operation of solar energy systems, most notably PV- and CSP-systems. By this, the need for data measured on-site is reduced. However, due to basic limitations of the satellite-derived data, several requirements put by the intended application cannot be coped with this data type directly. Traw satellite information has to be enhanced in both space and time resolution by additional information to be fully applicable for all aspects of the modelling od solar energy systems. To cope with this problem, several individual and collaborative projects had been performed in the recent years or are ongoing. Approaches are on one hand based on pasting synthesized high-resolution data into the low-resolution original sets. Pre-requite is an appropriate model, validated against real world data. For the case of irradiance data, these models can be extracted either directly from ground measured data sets or from data referring to the cloud situation as gained from the images of sky cameras or from monte -carlo initialized physical models. The current models refer to the spatial structure of the cloud fields. Dynamics are imposed by moving the cloud structures according to a large scale cloud motion vector, either extracted from the dynamics interfered from consecutive satellite images or taken from a meso-scale meteorological model. Dynamic irradiance information is then derived from the cloud field structure and the cloud motion vector. This contribution, which is linked to subtask A - Solar Resource Applications for High Penetration of Solar Technologies - of IEA SHC task 46, will present the different approaches and discuss examples in view of validation, need for auxiliary information and respective general applicability.

Physical Model Study of Cross Vanes and Ice

DTIC Science & Technology

2009-08-01

spacing since, in the pre-scour state, experiments and the HEC - RAS hydraulic model (USACE 2002b) found that water surface ele- vation merged with the...docs/eng-manuals/em1110- 2-1612/toc.htm. USACE (2002b) HEC - RAS , Hydraulic Reference Manual. US Army Corps of Engineers Hydrologic Engineering Center...Currently little design guidance is available for constructing these structures on ice-affected rivers . This study used physical and numerical

Design, evaluation and test of an electronic, multivariable control for the F100 turbofan engine

NASA Technical Reports Server (NTRS)

Skira, C. A.; Dehoff, R. L.; Hall, W. E., Jr.

1980-01-01

A digital, multivariable control design procedure for the F100 turbofan engine is described. The controller is based on locally linear synthesis techniques using linear, quadratic regulator design methods. The control structure uses an explicit model reference form with proportional and integral feedback near a nominal trajectory. Modeling issues, design procedures for the control law and the estimation of poorly measured variables are presented.

Design of a Model Reference Adaptive Controller for an Unmanned Air Vehicle

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Matsutani, Megumi; Annaswamy, Anuradha M.

2010-01-01

This paper presents the "Adaptive Control Technology for Safe Flight (ACTS)" architecture, which consists of a non-adaptive controller that provides satisfactory performance under nominal flying conditions, and an adaptive controller that provides robustness under off nominal ones. The design and implementation procedures of both controllers are presented. The aim of these procedures, which encompass both theoretical and practical considerations, is to develop a controller suitable for flight. The ACTS architecture is applied to the Generic Transport Model developed by NASA-Langley Research Center. The GTM is a dynamically scaled test model of a transport aircraft for which a flight-test article and a high-fidelity simulation are available. The nominal controller at the core of the ACTS architecture has a multivariable LQR-PI structure while the adaptive one has a direct, model reference structure. The main control surfaces as well as the throttles are used as control inputs. The inclusion of the latter alleviates the pilot s workload by eliminating the need for cancelling the pitch coupling generated by changes in thrust. Furthermore, the independent usage of the throttles by the adaptive controller enables their use for attitude control. Advantages and potential drawbacks of adaptation are demonstrated by performing high fidelity simulations of a flight-validated controller and of its adaptive augmentation.

Estimating Causal Effects in Mediation Analysis Using Propensity Scores

ERIC Educational Resources Information Center

Coffman, Donna L.

2011-01-01

Mediation is usually assessed by a regression-based or structural equation modeling (SEM) approach that we refer to as the classical approach. This approach relies on the assumption that there are no confounders that influence both the mediator, "M", and the outcome, "Y". This assumption holds if individuals are randomly…

A Study of Item Bias for Attitudinal Measurement Using Maximum Likelihood Factor Analysis.

ERIC Educational Resources Information Center

Mayberry, Paul W.

A technique for detecting item bias that is responsive to attitudinal measurement considerations is a maximum likelihood factor analysis procedure comparing multivariate factor structures across various subpopulations, often referred to as SIFASP. The SIFASP technique allows for factorial model comparisons in the testing of various hypotheses…

A Measurement Model of Microgenetic Transfer for Improving Instructional Outcomes

ERIC Educational Resources Information Center

Pavlik, Philip I., Jr.; Yudelson, Michael; Koedinger, Kenneth R.

2015-01-01

Efforts to improve instructional task design often make reference to the mental structures, such as "schemas" (e.g., Gick & Holyoak, 1983) or "identical elements" (Thorndike & Woodworth, 1901), that are common to both the instructional and target tasks. This component based (e.g., Singley & Anderson, 1989) approach…

Conversational Coherency. Technical Report No. 95.

ERIC Educational Resources Information Center

Reichman, Rachel

To analyze the process involved in maintaining conversational coherency, the study described in this paper used a construct called a "context space" that grouped utterances referring to a single issue or episode. The paper defines the types of context spaces, parses individual conversations to identify the underlying model or structure,…

Archive, Access, and Supply of Scientifically Derived Data: A Data Model for Multi-Parameterized Querying Where Spectral Data Base Meets GIS-Based Mapping Archive

NASA Astrophysics Data System (ADS)

Nass, A.; D'Amore, M.; Helbert, J.

2018-04-01

An archiving structure and reference level of derived and already published data supports the scientific community significantly by a constant rise of knowledge and understanding based on recent discussions within Information Science and Management.

Atomic Spectra and the Vector Model

NASA Astrophysics Data System (ADS)

Candler, A. C.

2015-05-01

12. Displaced terms; 13. Combination of several electrons; 14. Short periods; 15. Long periods; 16. Rare earths; 17. Intensity relsations; 18. Sum rules and (jj) coupling; 19. Series limit; 20. Hyperfine structure; 21. Quadripole radiation; 22. Fluorescent crystals; Appendix 5. Key to references; Appendix 6. Bibliography; Subject index; Author index.

Late-time mixing and turbulent behavior in high-energy-density shear experiments at high Atwood numbers

DOE PAGES

Flippo, K. A.; Doss, F. W.; Merritt, E. C.; ...

2018-05-30

The LANL Shear Campaign uses millimeter-scale initially solid shock tubes on the National Ignition Facility to conduct high-energy-density hydrodynamic plasma experiments, capable of reaching energy densities exceeding 100 kJ/cm 3. These shock-tube experiments have for the first time reproduced spontaneously emergent coherent structures due to shear-based fluid instabilities [i.e., Kelvin-Helmholtz (KH)], demonstrating hydrodynamic scaling over 8 orders of magnitude in time and velocity. The KH vortices, referred to as “rollers,” and the secondary instabilities, referred to as “ribs,” are used to understand the turbulent kinetic energy contained in the system. Their evolution is used to understand the transition to turbulencemore » and that transition's dependence on initial conditions. Experimental results from these studies are well modeled by the RAGE (Radiation Adaptive Grid Eulerian) hydro-code using the Besnard-Harlow-Rauenzahn turbulent mix model. Information inferred from both the experimental data and the mix model allows us to demonstrate that the specific Turbulent Kinetic Energy (sTKE) in the layer, as calculated from the plan-view structure data, is consistent with the mixing width growth and the RAGE simulations of sTKE.« less

Modelling Stream-Fish Functional Traits in Reference Conditions: Regional and Local Environmental Correlates

PubMed Central

Oliveira, João M.; Segurado, Pedro; Santos, José M.; Teixeira, Amílcar; Ferreira, Maria T.; Cortes, Rui V.

2012-01-01

Identifying the environmental gradients that control the functional structure of biological assemblages in reference conditions is fundamental to help river management and predict the consequences of anthropogenic stressors. Fish metrics (density of ecological guilds, and species richness) from 117 least disturbed stream reaches in several western Iberia river basins were modelled with generalized linear models in order to investigate the importance of regional- and local-scale abiotic gradients to variation in functional structure of fish assemblages. Functional patterns were primarily associated with regional features, such as catchment elevation and slope, rainfall, and drainage area. Spatial variations of fish guilds were thus associated with broad geographic gradients, showing (1) pronounced latitudinal patterns, affected mainly by climatic factors and topography, or (2) at the basin level, strong upstream-downstream patterns related to stream position in the longitudinal gradient. Maximum native species richness was observed in midsize streams in accordance with the river continuum concept. The findings of our study emphasized the need to use a multi-scale approach in order to fully assess the factors that govern the functional organization of biotic assemblages in ‘natural’ streams, as well as to improve biomonitoring and restoration of fluvial ecosystems. PMID:23029242

Late-time mixing and turbulent behavior in high-energy-density shear experiments at high Atwood numbers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Flippo, K. A.; Doss, F. W.; Merritt, E. C.

The LANL Shear Campaign uses millimeter-scale initially solid shock tubes on the National Ignition Facility to conduct high-energy-density hydrodynamic plasma experiments, capable of reaching energy densities exceeding 100 kJ/cm 3. These shock-tube experiments have for the first time reproduced spontaneously emergent coherent structures due to shear-based fluid instabilities [i.e., Kelvin-Helmholtz (KH)], demonstrating hydrodynamic scaling over 8 orders of magnitude in time and velocity. The KH vortices, referred to as “rollers,” and the secondary instabilities, referred to as “ribs,” are used to understand the turbulent kinetic energy contained in the system. Their evolution is used to understand the transition to turbulencemore » and that transition's dependence on initial conditions. Experimental results from these studies are well modeled by the RAGE (Radiation Adaptive Grid Eulerian) hydro-code using the Besnard-Harlow-Rauenzahn turbulent mix model. Information inferred from both the experimental data and the mix model allows us to demonstrate that the specific Turbulent Kinetic Energy (sTKE) in the layer, as calculated from the plan-view structure data, is consistent with the mixing width growth and the RAGE simulations of sTKE.« less

Development of molecular closures for the reference interaction site model theory with application to square-well and Lennard-Jones homonuclear diatomics.

PubMed

Munaò, Gianmarco; Costa, Dino; Caccamo, Carlo

2016-10-19

Inspired by significant improvements obtained for the performances of the polymer reference interaction site model (PRISM) theory of the fluid phase when coupled with 'molecular closures' (Schweizer and Yethiraj 1993 J. Chem. Phys. 98 9053), we exploit a matrix generalization of this concept, suitable for the more general RISM framework. We report a preliminary test of the formalism, as applied to prototype square-well homonuclear diatomics. As for the structure, comparison with Monte Carlo shows that molecular closures are slightly more predictive than their 'atomic' counterparts, and thermodynamic properties are equally accurate. We also devise an application of molecular closures to models interacting via continuous, soft-core potentials, by using well established prescriptions in liquid state perturbation theories. In the case of Lennard-Jones dimers, our scheme definitely improves over the atomic one, providing semi-quantitative structural results, and quite good estimates of internal energy, pressure and phase coexistence. Our finding paves the way to a systematic employment of molecular closures within the RISM framework to be applied to more complex systems, such as molecules constituted by several non-equivalent interaction sites.

Using Parameter Constraints to Choose State Structures in Cost-Effectiveness Modelling.

PubMed

Thom, Howard; Jackson, Chris; Welton, Nicky; Sharples, Linda

2017-09-01

This article addresses the choice of state structure in a cost-effectiveness multi-state model. Key model outputs, such as treatment recommendations and prioritisation of future research, may be sensitive to state structure choice. For example, it may be uncertain whether to consider similar disease severities or similar clinical events as the same state or as separate states. Standard statistical methods for comparing models require a common reference dataset but merging states in a model aggregates the data, rendering these methods invalid. We propose a method that involves re-expressing a model with merged states as a model on the larger state space in which particular transition probabilities, costs and utilities are constrained to be equal between states. This produces a model that gives identical estimates of cost effectiveness to the model with merged states, while leaving the data unchanged. The comparison of state structures can be achieved by comparing maximised likelihoods or information criteria between constrained and unconstrained models. We can thus test whether the costs and/or health consequences for a patient in two states are the same, and hence if the states can be merged. We note that different structures can be used for rates, costs and utilities, as appropriate. We illustrate our method with applications to two recent models evaluating the cost effectiveness of prescribing anti-depressant medications by depression severity and the cost effectiveness of diagnostic tests for coronary artery disease. State structures in cost-effectiveness models can be compared using standard methods to compare constrained and unconstrained models.

Time-dependent density functional theory (TD-DFT) coupled with reference interaction site model self-consistent field explicitly including spatial electron density distribution (RISM-SCF-SEDD)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yokogawa, D., E-mail: d.yokogawa@chem.nagoya-u.ac.jp; Institute of Transformative Bio-Molecules

2016-09-07

Theoretical approach to design bright bio-imaging molecules is one of the most progressing ones. However, because of the system size and computational accuracy, the number of theoretical studies is limited to our knowledge. To overcome the difficulties, we developed a new method based on reference interaction site model self-consistent field explicitly including spatial electron density distribution and time-dependent density functional theory. We applied it to the calculation of indole and 5-cyanoindole at ground and excited states in gas and solution phases. The changes in the optimized geometries were clearly explained with resonance structures and the Stokes shift was correctly reproduced.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

NASA Astrophysics Data System (ADS)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-12-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized "particle in a box" problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Definition of a 5MW/61.5m wind turbine blade reference model.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Resor, Brian Ray

2013-04-01

A basic structural concept of the blade design that is associated with the frequently utilized %E2%80%9CNREL offshore 5-MW baseline wind turbine%E2%80%9D is needed for studies involving blade structural design and blade structural design tools. The blade structural design documented in this report represents a concept that meets basic design criteria set forth by IEC standards for the onshore turbine. The design documented in this report is not a fully vetted blade design which is ready for manufacture. The intent of the structural concept described by this report is to provide a good starting point for more detailed and targeted investigationsmore » such as blade design optimization, blade design tool verification, blade materials and structures investigations, and blade design standards evaluation. This report documents the information used to create the current model as well as the analyses used to verify that the blade structural performance meets reasonable blade design criteria.« less

Age structure changes and extraordinary lifespan in wild medfly populations.

PubMed

Carey, James R; Papadopoulos, Nikos T; Müller, Hans-Georg; Katsoyannos, Byron I; Kouloussis, Nikos A; Wang, Jane-Ling; Wachter, Kenneth; Yu, Wei; Liedo, Pablo

2008-06-01

The main purpose of this study was to test the hypotheses that major changes in age structure occur in wild populations of the Mediterranean fruit fly (medfly) and that a substantial fraction of individuals survive to middle age and beyond (> 3-4 weeks). We thus brought reference life tables and deconvolution models to bear on medfly mortality data gathered from a 3-year study of field-captured individuals that were monitored in the laboratory. The average time-to-death of captured females differed between sampling dates by 23.9, 22.7, and 37.0 days in the 2003, 2004, and 2005 field seasons, respectively. These shifts in average times-to-death provided evidence of changes in population age structure. Estimates indicated that middle-aged medflies (> 30 days) were common in the population. A surprise in the study was the extraordinary longevity observed in field-captured medflies. For example, 19 captured females but no reference females survived in the laboratory for 140 days or more, and 6 captured but no reference males survived in the laboratory for 170 days or more. This paper advances the study of aging in the wild by introducing a new method for estimating age structure in insect populations, demonstrating that major changes in age structure occur in field populations of insects, showing that middle-aged individuals are common in the wild, and revealing the extraordinary lifespans of wild-caught individuals due to their early life experience in the field.

Issues raised by the reference doses for perfluorooctane sulfonate and perfluorooctanoic acid.

PubMed

Dong, Zhaomin; Bahar, Md Mezbaul; Jit, Joytishna; Kennedy, Bruce; Priestly, Brian; Ng, Jack; Lamb, Dane; Liu, Yanju; Duan, Luchun; Naidu, Ravi

2017-08-01

On 25th May 2016, the U.S. EPA released reference doses (RfDs) for Perfluorooctane Sulfonate (PFOS) and Perfluorooctanoic Acid (PFOA) of 20ng/kg/day, which were much more conservative than previous values. These RfDs rely on the choices of animal point of departure (PoD) and the toxicokinetics (TK) model. At this stage, considering that the human evidence is not strong enough for RfD determination, using animal data may be appropriate but with more uncertainties. In this article, the uncertainties concerning RfDs from the choices of PoD and TK models are addressed. Firstly, the candidate PoDs should include more critical endpoints (such as immunotoxicity), which may lead to lower RfDs. Secondly, the reliability of the adopted three-compartment TK model is compromised: the parameters are not non-biologically plausible; and this TK model was applied to simulate gestation and lactation exposures, while the two exposure scenarios were not actually included in the model structure. Copyright © 2017. Published by Elsevier Ltd.

Multi-model inference for incorporating trophic and climate uncertainty into stock assessments

NASA Astrophysics Data System (ADS)

Ianelli, James; Holsman, Kirstin K.; Punt, André E.; Aydin, Kerim

2016-12-01

Ecosystem-based fisheries management (EBFM) approaches allow a broader and more extensive consideration of objectives than is typically possible with conventional single-species approaches. Ecosystem linkages may include trophic interactions and climate change effects on productivity for the relevant species within the system. Presently, models are evolving to include a comprehensive set of fishery and ecosystem information to address these broader management considerations. The increased scope of EBFM approaches is accompanied with a greater number of plausible models to describe the systems. This can lead to harvest recommendations and biological reference points that differ considerably among models. Model selection for projections (and specific catch recommendations) often occurs through a process that tends to adopt familiar, often simpler, models without considering those that incorporate more complex ecosystem information. Multi-model inference provides a framework that resolves this dilemma by providing a means of including information from alternative, often divergent models to inform biological reference points and possible catch consequences. We apply an example of this approach to data for three species of groundfish in the Bering Sea: walleye pollock, Pacific cod, and arrowtooth flounder using three models: 1) an age-structured "conventional" single-species model, 2) an age-structured single-species model with temperature-specific weight at age, and 3) a temperature-specific multi-species stock assessment model. The latter two approaches also include consideration of alternative future climate scenarios, adding another dimension to evaluate model projection uncertainty. We show how Bayesian model-averaging methods can be used to incorporate such trophic and climate information to broaden single-species stock assessments by using an EBFM approach that may better characterize uncertainty.

Aromatase inhibitory activity of 1,4-naphthoquinone derivatives and QSAR study

PubMed Central

Prachayasittikul, Veda; Pingaew, Ratchanok; Worachartcheewan, Apilak; Sitthimonchai, Somkid; Nantasenamat, Chanin; Prachayasittikul, Supaluk; Ruchirawat, Somsak; Prachayasittikul, Virapong

2017-01-01

A series of 2-amino(chloro)-3-chloro-1,4-naphthoquinone derivatives (1-11) were investigated for their aromatase inhibitory activities. 1,4-Naphthoquinones 1 and 4 were found to be the most potent compounds affording IC50 values 5.2 times lower than the reference drug, ketoconazole. A quantitative structure-activity relationship (QSAR) model provided good predictive performance (R2CV = 0.9783 and RMSECV = 0.0748) and indicated mass (Mor04m and H8m), electronegativity (Mor08e), van der Waals volume (G1v) and structural information content index (SIC2) descriptors as key descriptors governing the activity. To investigate the effects of structural modifications on aromatase inhibitory activity, the model was employed to predict the activities of an additional set of 39 structurally modified compounds constructed in silico. The prediction suggested that the 2,3-disubstitution of 1,4-naphthoquinone ring with halogen atoms (i.e., Br, I and F) is the most effective modification for potent activity (1a, 1b and 1c). Importantly, compound 1b was predicted to be more potent than its parent compound 1 (11.90-fold) and the reference drug, letrozole (1.03-fold). The study suggests the 1,4-naphthoquinone derivatives as promising compounds to be further developed as a novel class of aromatase inhibitors. PMID:28827987

Regression equations for calculation of z scores for echocardiographic measurements of left heart structures in healthy Han Chinese children.

PubMed

Wang, Shan-Shan; Hong, Wen-Jing; Zhang, Yu-Qi; Chen, Shu-Bao; Huang, Guo-Ying; Zhang, Hong-Yan; Chen, Li-Jun; Wu, Lan-Ping; Shen, Rong; Liu, Yi-Qing; Zhu, Jun-Xue

2018-06-01

Clinical decision making in children with heart disease relies on detailed measurements of cardiac structures using two-dimensional and M-mode echocardiography. However, no echocardiographic reference values are available for the Chinese children. We aimed to establish z-score regression equations for left heart structures in a population-based cohort of healthy Chinese Han children. Echocardiography was performed in 545 children with a normal heart. The dimensions of the aortic valve annulus (AVA), aortic sinuses of Valsalva (ASV), sinotubular junction (STJ), ascending aorta (AAO), left atrium (LA), mitral valve annulus (MVA), interventricular septal end-diastolic thickness (IVSd), interventricular septal end-systolic thickness (IVSs), left ventricular end-diastolic diameter (LVIDd), left ventricular end-systolic diameter (LVIDs), left ventricular posterior wall end-diastolic thickness (LVPWd), left ventricular posterior wall end-systolic thickness (LVPWs) were measured. Regression analyses were conducted to relate the measurements of left heart structures to body surface area (BSA). Left ventricular ejection fraction (LVEF) and left ventricular fractional shortening (LVFS) were calculated. Several models were used, and the adjusted R2 values were compared for each model. AVA, ASV, STJ, AAO, LA, MVA, IVSd, IVSs, LVIDd, LVIDs, LVPWd, and LVPWs had a cubic relationship with BSA. LVEF and LVFS fell within a narrow range. Our results provide reference values for z scores and regression equations for left heart structures in Han Chinese children. These data may help make a quick and accurate judgment of the routine clinical measurement of left heart structures in children with heart disease. © 2018 Wiley Periodicals, Inc.

Propulsion System Dynamic Modeling for the NASA Supersonic Concept Vehicle: AeroPropulsoServoElasticity

NASA Technical Reports Server (NTRS)

Kopasakis, George; Connolly, Joseph; Seidel, Jonathan

2014-01-01

A summary of the propulsion system modeling under NASA's High Speed Project (HSP) AeroPropulsoServoElasticity (APSE) task is provided with a focus on the propulsion system for the low-boom supersonic configuration developed by Lockheed Martin and referred to as the N+2 configuration. This summary includes details on the effort to date to develop computational models for the various propulsion system components. The objective of this paper is to summarize the model development effort in this task, while providing more detail in the modeling areas that have not been previously published. The purpose of the propulsion system modeling and the overall APSE effort is to develop an integrated dynamic vehicle model to conduct appropriate unsteady analysis of supersonic vehicle performance. This integrated APSE system model concept includes the propulsion system model, and the vehicle structural-aerodynamics model. The development to date of such a preliminary integrated model will also be summarized in this report.propulsion system dynamics, the structural dynamics, and aerodynamics.

Referring patients to specialists: A structured vignette survey of Australian and British GPs

PubMed Central

Jiwa, Moyez; Gordon, Michael; Arnet, Hayley; Ee, Hooi; Bulsara, Max; Colwell, Brigitte

2008-01-01

Background In Australia and in the United Kingdom (UK) access to specialists is sanctioned by General Practitioners (GPs). It is important to understand how practitioners determine which patients warrant referral. Methods A self-administered structured vignette postal survey of General Practitioners in Western Australia and the United Kingdom. Sixty-four vignettes describing patients with colorectal symptoms were constructed encompassing six clinical details. Nine vignettes, chosen at random, were presented to each individual. Respondents were asked if they would refer the patient to a specialist and how urgently. Logistic regression and parametric tests were used to analyse the data Results We received 260 completed questionnaires. 58% of 'cancer vignettes' were selected for 'urgent' referral. 1632/2367 or 69% of all vignettes were selected for referral. After adjusting for clustering the model suggests that 38.4% of the variability is explained by all the clinical variables as well as the age and experience of the respondents. 1012 or 42.8 % of vignettes were referred 'urgently'. After adjusting for clustering the data suggests that 31.3 % of the variability is explained by the model. The age of the respondents, the location of the practice and all the clinical variables were significant in the decision to refer urgently. Conclusion GPs' referral decisions for patients with lower bowel symptoms are similar in the two countries. We question the wisdom of streaming referrals from primary care without a strong evidence base and an effective intervention for implementing guidelines. We conclude that implementation must take into account the profile of patients but also the characteristics of GPs and referral policies. PMID:18194578

Cognitive indicators of social anxiety in youth: a structural equation analysis.

PubMed

Rudy, Brittany M; Davis, Thompson E; Matthews, Russell A

2014-01-01

Previous studies have demonstrated significant relationships among various cognitive variables such as negative cognition, self-efficacy, and social anxiety. Unfortunately, few studies focus on the role of cognition among youth, and researchers often fail to use domain-specific measures when examining cognitive variables. Therefore, the purpose of the present study was to examine domain-specific cognitive variables (i.e., socially oriented negative self-referent cognition and social self-efficacy) and their relationships to social anxiety in children and adolescents using structural equation modeling techniques. A community sample of children and adolescents (n=245; 55.9% female; 83.3% Caucasian, 9.4% African American, 2% Asian, 2% Hispanic, 2% "other," and 1.2% not reported) completed questionnaires assessing social cognition and social anxiety symptomology. Three latent variables were created to examine the constructs of socially oriented negative self-referent cognition (as measured by the SONAS scale), social self-efficacy (as measured by the SEQSS-C), and social anxiety (as measured by the SPAI-C and the Brief SA). The resulting measurement model of latent variables fit the data well. Additionally, consistent with the study hypothesis, results indicated that social self-efficacy likely mediates the relationship between socially oriented negative self-referent cognition and social anxiety, and socially oriented negative self-referent cognition yields significant direct and indirect effects on social anxiety. These findings indicate that socially oriented negative cognitions are associated with youth's beliefs about social abilities and the experience of social anxiety. Future directions for research and study limitations, including use of cross-sectional data, are discussed. © 2013.

Generic Features of Tertiary Chromatin Structure as Detected in Natural Chromosomes

PubMed Central

Müller, Waltraud G.; Rieder, Dietmar; Kreth, Gregor; Cremer, Christoph; Trajanoski, Zlatko; McNally, James G.

2004-01-01

Knowledge of tertiary chromatin structure in mammalian interphase chromosomes is largely derived from artificial tandem arrays. In these model systems, light microscope images reveal fibers or beaded fibers after high-density targeting of transactivators to insertional domains spanning several megabases. These images of fibers have lent support to chromonema fiber models of tertiary structure. To assess the relevance of these studies to natural mammalian chromatin, we identified two different ∼400-kb regions on human chromosomes 6 and 22 and then examined light microscope images of interphase tertiary chromatin structure when the regions were transcriptionally active and inactive. When transcriptionally active, these natural chromosomal regions elongated, yielding images characterized by a series of adjacent puncta or “beads”, referred to hereafter as beaded images. These elongated structures required transcription for their maintenance. Thus, despite marked differences in the density and the mode of transactivation, the natural and artificial systems showed similarities, suggesting that beaded images are generic features of transcriptionally active tertiary chromatin. We show here, however, that these images do not necessarily favor chromonema fiber models but can also be explained by a radial-loop model or even a simple nucleosome affinity, random-chain model. Thus, light microscope images of tertiary structure cannot distinguish among competing models, although they do impose key constraints: chromatin must be clustered to yield beaded images and then packaged within each cluster to enable decondensation into adjacent clusters. PMID:15485905

DOE Office of Scientific and Technical Information (OSTI.GOV)

O'Shaughnessy, Eric; Ardani, Kristen; Cutler, Dylan

Solar 'plus' refers to an emerging approach to distributed solar photovoltaic (PV) deployment that uses energy storage and controllable devices to optimize customer economics. The solar plus approach increases customer system value through technologies such as electric batteries, smart domestic water heaters, smart air-conditioner (AC) units, and electric vehicles We use an NREL optimization model to explore the customer-side economics of solar plus under various utility rate structures and net metering rates. We explore optimal solar plus applications in five case studies with different net metering rates and rate structures. The model deploys different configurations of PV, batteries, smart domesticmore » water heaters, and smart AC units in response to different rate structures and customer load profiles. The results indicate that solar plus improves the customer economics of PV and may mitigate some of the negative impacts of evolving rate structures on PV economics. Solar plus may become an increasingly viable model for optimizing PV customer economics in an evolving rate environment.« less

A poroplastic model of structural reorganisation in porous media of biomechanical interest

NASA Astrophysics Data System (ADS)

Grillo, Alfio; Prohl, Raphael; Wittum, Gabriel

2016-03-01

We present a poroplastic model of structural reorganisation in a binary mixture comprising a solid and a fluid phase. The solid phase is the macroscopic representation of a deformable porous medium, which exemplifies the matrix of a biological system (consisting e.g. of cells, extracellular matrix, collagen fibres). The fluid occupies the interstices of the porous medium and is allowed to move throughout it. The system reorganises its internal structure in response to mechanical stimuli. Such structural reorganisation, referred to as remodelling, is described in terms of "plastic" distortions, whose evolution is assumed to obey a phenomenological flow rule driven by stress. We study the influence of remodelling on the mechanical and hydraulic behaviour of the system, showing how the plastic distortions modulate the flow pattern of the fluid, and the distributions of pressure and stress inside it. To accomplish this task, we solve a highly nonlinear set of model equations by elaborating a previously developed numerical procedure, which is implemented in a non-commercial finite element solver.

Solar Plus: A Holistic Approach to Distributed Solar PV

DOE Office of Scientific and Technical Information (OSTI.GOV)

OShaughnessy, Eric J.; Ardani, Kristen B.; Cutler, Dylan S.

Solar 'plus' refers to an emerging approach to distributed solar photovoltaic (PV) deployment that uses energy storage and controllable devices to optimize customer economics. The solar plus approach increases customer system value through technologies such as electric batteries, smart domestic water heaters, smart air-conditioner (AC) units, and electric vehicles We use an NREL optimization model to explore the customer-side economics of solar plus under various utility rate structures and net metering rates. We explore optimal solar plus applications in five case studies with different net metering rates and rate structures. The model deploys different configurations of PV, batteries, smart domesticmore » water heaters, and smart AC units in response to different rate structures and customer load profiles. The results indicate that solar plus improves the customer economics of PV and may mitigate some of the negative impacts of evolving rate structures on PV economics. Solar plus may become an increasingly viable model for optimizing PV customer economics in an evolving rate environment.« less

Third-order polynomial model for analyzing stickup state laminated structure in flexible electronics

NASA Astrophysics Data System (ADS)

Meng, Xianhong; Wang, Zihao; Liu, Boya; Wang, Shuodao

2018-02-01

Laminated hard-soft integrated structures play a significant role in the fabrication and development of flexible electronics devices. Flexible electronics have advantageous characteristics such as soft and light-weight, can be folded, twisted, flipped inside-out, or be pasted onto other surfaces of arbitrary shapes. In this paper, an analytical model is presented to study the mechanics of laminated hard-soft structures in flexible electronics under a stickup state. Third-order polynomials are used to describe the displacement field, and the principle of virtual work is adopted to derive the governing equations and boundary conditions. The normal strain and the shear stress along the thickness direction in the bi-material region are obtained analytically, which agree well with the results from finite element analysis. The analytical model can be used to analyze stickup state laminated structures, and can serve as a valuable reference for the failure prediction and optimal design of flexible electronics in the future.

Creating of structure of facts for the knowledge base of an expert system for wind power plant's equipment diagnosis

NASA Astrophysics Data System (ADS)

Duer, Stanisław; Wrzesień, Paweł; Duer, Radosław

2017-10-01

This article describes rules and conditions for making a structure (a set) of facts for an expert knowledge base of the intelligent system to diagnose Wind Power Plants' equipment. Considering particular operational conditions of a technical object, that is a set of Wind Power Plant's equipment, this is a significant issue. A structural model of Wind Power Plant's equipment is developed. Based on that, a functional - diagnostic model of Wind Power Plant's equipment is elaborated. That model is a basis for determining primary elements of the object structure, as well as for interpreting a set of diagnostic signals and their reference signals. The key content of this paper is a description of rules for building of facts on the basis of developed analytical dependence. According to facts, their dependence is described by rules for transferring of a set of pieces of diagnostic information into a specific set of facts. The article consists of four chapters that concern particular issues on the subject.

Analysis of composite plates by using mechanics of structure genome and comparison with ANSYS

NASA Astrophysics Data System (ADS)

Zhao, Banghua

Motivated by a recently discovered concept, Structure Genome (SG) which is defined as the smallest mathematical building block of a structure, a new approach named Mechanics of Structure Genome (MSG) to model and analyze composite plates is introduced. MSG is implemented in a general-purpose code named SwiftComp(TM), which provides the constitutive models needed in structural analysis by homogenization and pointwise local fields by dehomogenization. To improve the user friendliness of SwiftComp(TM), a simple graphic user interface (GUI) based on ANSYS Mechanical APDL platform, called ANSYS-SwiftComp GUI is developed, which provides a convenient way to create some common SG models or arbitrary customized SG models in ANSYS and invoke SwiftComp(TM) to perform homogenization and dehomogenization. The global structural analysis can also be handled in ANSYS after homogenization, which could predict the global behavior and provide needed inputs for dehomogenization. To demonstrate the accuracy and efficiency of the MSG approach, several numerical cases are studied and compared using both MSG and ANSYS. In the ANSYS approach, 3D solid element models (ANSYS 3D approach) are used as reference models and the 2D shell element models created by ANSYS Composite PrepPost (ACP approach) are compared with the MSG approach. The results of the MSG approach agree well with the ANSYS 3D approach while being as efficient as the ACP approach. Therefore, the MSG approach provides an efficient and accurate new way to model composite plates.

Study on Topology Optimization Design, Manufacturability, and Performance Evaluation of Ti-6Al-4V Porous Structures Fabricated by Selective Laser Melting (SLM)

PubMed Central

Xu, Yangli; Zhang, Dongyun; Zhou, Yan; Wang, Weidong; Cao, Xuanyang

2017-01-01

The combination of topology optimization (TOP) and selective laser melting (SLM) provides the possibility of fabricating the complex, lightweight and high performance geometries overcoming the traditional manufacturing “bottleneck”. This paper evaluates the biomechanical properties of porous structures with porosity from 40% to 80% and unit cell size from 2 to 8 mm, which are designed by TOP and manufactured by SLM. During manufacturability exploration, three typical structures including spiral structure, arched bridge structure and structures with thin walls and small holes are abstracted and investigated, analyzing their manufacturing limits and forming reason. The property tests show that dynamic elastic modulus and compressive strength of porous structures decreases with increases of porosity (constant unit cell size) or unit cell size (constant porosity). Based on the Gibson-Ashby model, three failure models are proposed to describe their compressive behavior, and the structural parameter λ is used to evaluate the stability of the porous structure. Finally, a numerical model for the correlation between porous structural parameters (unit cell size and porosity) and elastic modulus is established, which provides a theoretical reference for matching the elastic modulus of human bones from different age, gender and skeletal sites during innovative medical implant design and manufacturing. PMID:28880229

Study on Topology Optimization Design, Manufacturability, and Performance Evaluation of Ti-6Al-4V Porous Structures Fabricated by Selective Laser Melting (SLM).

PubMed

Xu, Yangli; Zhang, Dongyun; Zhou, Yan; Wang, Weidong; Cao, Xuanyang

2017-09-07

The combination of topology optimization (TOP) and selective laser melting (SLM) provides the possibility of fabricating the complex, lightweight and high performance geometries overcoming the traditional manufacturing "bottleneck". This paper evaluates the biomechanical properties of porous structures with porosity from 40% to 80% and unit cell size from 2 to 8 mm, which are designed by TOP and manufactured by SLM. During manufacturability exploration, three typical structures including spiral structure, arched bridge structure and structures with thin walls and small holes are abstracted and investigated, analyzing their manufacturing limits and forming reason. The property tests show that dynamic elastic modulus and compressive strength of porous structures decreases with increases of porosity (constant unit cell size) or unit cell size (constant porosity). Based on the Gibson-Ashby model, three failure models are proposed to describe their compressive behavior, and the structural parameter λ is used to evaluate the stability of the porous structure. Finally, a numerical model for the correlation between porous structural parameters (unit cell size and porosity) and elastic modulus is established, which provides a theoretical reference for matching the elastic modulus of human bones from different age, gender and skeletal sites during innovative medical implant design and manufacturing.

The Quality of Life in Hand Eczema Questionnaire (QOLHEQ): validation of the German version of a new disease-specific measure of quality of life for patients with hand eczema.

PubMed

Ofenloch, R F; Weisshaar, E; Dumke, A-K; Molin, S; Diepgen, T L; Apfelbacher, C

2014-08-01

Health-related quality of life (HRQOL) is widely used as a patient-reported outcome to evaluate clinical trials. In routine care it can also be used to improve treatment strategies or to enhance patients' self-awareness and empowerment. Therefore a disease-specific instrument is needed that assesses in detail all the impairments caused by the disease of interest. For patients with hand eczema (HE) such an instrument was developed by an international expert group, but its measurement properties are unknown. To validate the German version of the Quality of Life in Hand Eczema Questionnaire (QOLHEQ), which covers the domains of (i) symptoms, (ii) emotions, (iii) functioning and (iv) treatment and prevention. The QOLHEQ was assessed up to three times in 316 patients with HE to test reliability and sensitivity to change. To test construct validity we also assessed several reference measures. The scale structure was analysed using the Rasch model for each subscale and a structural equation model was used to test the multi domain structure of the QOLHEQ. After minor adaptions of the scoring structure, all four subscales of the QOLHEQ did not significantly misfit the Rasch model (α > 0·05). The fit indices of the structural equation model showed a good fit of the multi domain construct with four subscales assessing HRQOL. Nearly all a priori-defined hypotheses relating to construct validity could be confirmed. The QOLHEQ showed a sensitivity to change that was superior compared with all reference measures. The QOLHEQ is ready to be used in its German version as a sensitive outcome measure in clinical trials and for routine monitoring. The treatment-relevant subscales enable its use to enhance patients' self-awareness and to monitor treatment decisions. © 2014 British Association of Dermatologists.

Structure and thermodynamics of core-softened models for alcohols

DOE Office of Scientific and Technical Information (OSTI.GOV)

Munaò, Gianmarco, E-mail: gmunao@unime.it; Urbic, Tomaz

The phase behavior and the fluid structure of coarse-grain models for alcohols are studied by means of reference interaction site model (RISM) theory and Monte Carlo simulations. Specifically, we model ethanol and 1-propanol as linear rigid chains constituted by three (trimers) and four (tetramers) partially fused spheres, respectively. Thermodynamic properties of these models are examined in the RISM context, by employing closed formulæ for the calculation of free energy and pressure. Gas-liquid coexistence curves for trimers and tetramers are reported and compared with already existing data for a dimer model of methanol. Critical temperatures slightly increase with the number ofmore » CH{sub 2} groups in the chain, while critical pressures and densities decrease. Such a behavior qualitatively reproduces the trend observed in experiments on methanol, ethanol, and 1-propanol and suggests that our coarse-grain models, despite their simplicity, can reproduce the essential features of the phase behavior of such alcohols. The fluid structure of these models is investigated by computing radial distribution function g{sub ij}(r) and static structure factor S{sub ij}(k); the latter shows the presence of a low−k peak at intermediate-high packing fractions and low temperatures, suggesting the presence of aggregates for both trimers and tetramers.« less

A Gaussian Approximation Potential for Silicon

NASA Astrophysics Data System (ADS)

Bernstein, Noam; Bartók, Albert; Kermode, James; Csányi, Gábor

We present an interatomic potential for silicon using the Gaussian Approximation Potential (GAP) approach, which uses the Gaussian process regression method to approximate the reference potential energy surface as a sum of atomic energies. Each atomic energy is approximated as a function of the local environment around the atom, which is described with the smooth overlap of atomic environments (SOAP) descriptor. The potential is fit to a database of energies, forces, and stresses calculated using density functional theory (DFT) on a wide range of configurations from zero and finite temperature simulations. These include crystalline phases, liquid, amorphous, and low coordination structures, and diamond-structure point defects, dislocations, surfaces, and cracks. We compare the results of the potential to DFT calculations, as well as to previously published models including Stillinger-Weber, Tersoff, modified embedded atom method (MEAM), and ReaxFF. We show that it is very accurate as compared to the DFT reference results for a wide range of properties, including low energy bulk phases, liquid structure, as well as point, line, and plane defects in the diamond structure.

Residual stress analysis for oxide thin film deposition on flexible substrate using finite element method

NASA Astrophysics Data System (ADS)

Chen, Hsi-Chao; Huang, Chen-Yu; Lin, Ssu-Fan; Chen, Sheng-Hui

2011-09-01

Residual or internal stresses directly affect a variety of phenomena including adhesion, generation of crystalline defects, perfection of epitaxial layers and formation of film surface growths such as hillocks and whiskers. Sputtering oxide films with high density promote high compressive stress, and it offers researchers a reference if the value of residual stress could be analyzed directly. Since, the study of residual stress of SiO2 and Nb2O5 thin film deposited by DC magnetron sputtered on hard substrate (BK7) and flexible substrate (PET and PC). A finite element method (FEM) with an equivalent-reference-temperature (ERT) technique had been proposed and used to model and evaluate the intrinsic strains of layered structures. The research has improved the equivalent reference temperature (ERT) technique of the simulation of intrinsic strain for oxygen film. The results have also generalized two models connecting to the lattice volume to predict the residual stress of hard substrate and flexible substrate with error of 3% and 6%, respectively.

Modelling of structural flexiblity in multibody railroad vehicle systems

NASA Astrophysics Data System (ADS)

Escalona, José L.; Sugiyama, Hiroyuki; Shabana, Ahmed A.

2013-07-01

This paper presents a review of recent research investigations on the computer modelling of flexible bodies in railroad vehicle systems. The paper will also discuss the influence of the structural flexibility of various components, including the wheelset, the truck frames, tracks, pantograph/catenary systems, and car bodies, on the dynamics of railroad vehicles. While several formulations and computer techniques for modelling structural flexibility are discussed in this paper, a special attention is paid to the floating frame of reference formulation which is widely used and leads to reduced-order finite-element models for flexible bodies by employing component modes synthesis techniques. Other formulations and numerical methods such as semi-analytical approaches, absolute nodal coordinate formulation, finite-segment method, boundary elements method, and discrete elements method are also discussed. This investigation is motivated by the fact that the structural flexibility can have a significant effect on the overall dynamics of railroad vehicles, ride comfort, vibration suppression and noise level reduction, lateral stability, track response to vehicle forces, stress analysis, wheel-rail contact forces, wear and crashworthiness.

Decentralized control experiments on NASA's flexible grid

NASA Technical Reports Server (NTRS)

Ozguner, U.; Yurkowich, S.; Martin, J., III; Al-Abbass, F.

1986-01-01

Methods arising from the area of decentralized control are emerging for analysis and control synthesis for large flexible structures. In this paper the control strategy involves a decentralized model reference adaptive approach using a variable structure control. Local models are formulated based on desired damping and response time in a model-following scheme for various modal configurations. Variable structure controllers are then designed employing co-located angular rate and position feedback. In this scheme local control forces the system to move on a local sliding mode in some local error space. An important feature of this approach is that the local subsystem is made insensitive to dynamical interactions with other subsystems once the sliding surface is reached. Experiments based on the above have been performed for NASA's flexible grid experimental apparatus. The grid is designed to admit appreciable low-frequency structural dynamics, and allows for implementation of distributed computing components, inertial sensors, and actuation devices. A finite-element analysis of the grid provides the model for control system design and simulation; results of several simulations are reported on here, and a discussion of application experiments on the apparatus is presented.

Velocity-Vorticity Correlation Structure in Turbulent Channel Flow

NASA Astrophysics Data System (ADS)

Chen, J.; Pei, J.; She, Z. S.; Hussain, F.

2011-09-01

We present a new definition of statistical structure — velocity-vorticity correlation structure (VVCS) — based on amplitude distributions of the tensor field of normalized velocity-vorticity correlation (uiωj), and show that it displays the geometry of the statistical structure relevant to a given reference point, and it effectively captures coherent motions in inhomogeneous shear flows. The variation of the extracted objects moving with the reference point yr+ then presents a full picture of statistical structures for the flow, which goes beyond the traditional view of searching for reference-independent structures. Application to turbulent channel flow simulation data at Reτ = 180 demonstrates that the VVCS successfully captures, qualitatively and quantitatively, the near-wall streaks, the streamwise vortices [1,2], and their extensions up to yr+ = 110 with variations of their length and inclination angle. More interestingly, the VVCS associated with the streamwise velocity component (particularly (uωx ( and (uωz) displays topological change at four distances from the wall (with transitions at yr+≈20,40,60,110), giving rise to a geometrical interpretation of the multi-layer structure of wall-bounded turbulence. Specifically, we find that the VVCS of (uωz( bifurcates at yr+ = 40 with one attached to the wall and the other near the reference location. The VVCS of (uωx) is blob-like in the center region, quite different from a pair of elongated and inclined objects near the wall. The propagation speeds of the velocity components in the near-wall region, y+ ≤ 10, is found to be characterized by the same stream-wise correlation structures of (uωx) and (uωz), whose core is located at y+≈20. As a result, the convection of the velocity fluctuations always reveal the constant propagation speeds in the near-wall region. The coherent motions parallel to the wall plays an important role in determining the propagation of the velocity fluctuations. This study suggests that a variable set of geometrical structures should be invoked for the study of turbulence structures and for modeling mean flow properties in terms of structures. The method and the concept presented here are general for the study of other flow systems (like boundary or mixing layer), as long as ensemble averaging is well-defined.

Atomic Structure of Au 329(SR) 84 Faradaurate Plasmonic Nanomolecules

DOE PAGES

Kumara, Chanaka; Zuo, Xiaobing; Ilavsky, Jan; ...

2015-04-03

To design novel nanomaterials, it is important to precisely control the composition, determine the atomic structure, and manipulate the structure to tune the materials property. Here we present a comprehensive characterization of the material whose composition is Au 329(SR) 84 precisely, therefore referred to as a nanomolecule. The size homogeneity was shown by electron microscopy, solution X-ray scattering, and mass spectrometry. We proposed its atomic structure to contain the Au 260 core using experiments and modeling of a total-scattering-based atomic-pair distribution functional analysis. HAADF-STEM images shows fcc-like 2.0 ± 0.1 nm diameter nanomolecules.

A proposed model for economic evaluations of major depressive disorder.

PubMed

Haji Ali Afzali, Hossein; Karnon, Jonathan; Gray, Jodi

2012-08-01

In countries like UK and Australia, the comparability of model-based analyses is an essential aspect of reimbursement decisions for new pharmaceuticals, medical services and technologies. Within disease areas, the use of models with alternative structures, type of modelling techniques and/or data sources for common parameters reduces the comparability of evaluations of alternative technologies for the same condition. The aim of this paper is to propose a decision analytic model to evaluate long-term costs and benefits of alternative management options in patients with depression. The structure of the proposed model is based on the natural history of depression and includes clinical events that are important from both clinical and economic perspectives. Considering its greater flexibility with respect to handling time, discrete event simulation (DES) is an appropriate simulation platform for modelling studies of depression. We argue that the proposed model can be used as a reference model in model-based studies of depression improving the quality and comparability of studies.

Thermal model for impact breccia lithification - Manicouagan and the moon

NASA Technical Reports Server (NTRS)

Simonds, C. H.; Warner, J. L.; Phinney, W. C.; Mcgee, P. E.

1976-01-01

The thermal model of Simonds (1975) is extended to the full spectrum of impact-produced rocks ranging from fragmental breccias to impact melts, with reference to the Manicouagan impact structure in Quebec. This is done by relating the basic textural features of impact-lithified rocks to variations in the mixture of superheated impact-fused material originating near the point of impact and much cooler fragmented debris originating farther from the point of impact.

The results of a limited study of approaches to the design, fabrication, and testing of a dynamic model of the NASA IOC space station. Executive summary

NASA Technical Reports Server (NTRS)

Brooks, George W.

1985-01-01

The options for the design, construction, and testing of a dynamic model of the space station were evaluated. Since the definition of the space station structure is still evolving, the Initial Operating Capacity (IOC) reference configuration was used as the general guideline. The results of the studies treat: general considerations of the need for and use of a dynamic model; factors which deal with the model design and construction; and a proposed system for supporting the dynamic model in the planned Large Spacecraft Laboratory.

Unscented predictive variable structure filter for satellite attitude estimation with model errors when using low precision sensors

NASA Astrophysics Data System (ADS)

Cao, Lu; Li, Hengnian

2016-10-01

For the satellite attitude estimation problem, the serious model errors always exist and hider the estimation performance of the Attitude Determination and Control System (ACDS), especially for a small satellite with low precision sensors. To deal with this problem, a new algorithm for the attitude estimation, referred to as the unscented predictive variable structure filter (UPVSF) is presented. This strategy is proposed based on the variable structure control concept and unscented transform (UT) sampling method. It can be implemented in real time with an ability to estimate the model errors on-line, in order to improve the state estimation precision. In addition, the model errors in this filter are not restricted only to the Gaussian noises; therefore, it has the advantages to deal with the various kinds of model errors or noises. It is anticipated that the UT sampling strategy can further enhance the robustness and accuracy of the novel UPVSF. Numerical simulations show that the proposed UPVSF is more effective and robustness in dealing with the model errors and low precision sensors compared with the traditional unscented Kalman filter (UKF).

About the role of the source terms on the spatial structure of the wave field in hurricanes

NASA Astrophysics Data System (ADS)

Osuna, P.; Esquivel-Trava, B.; Ocampo-Torres, F. J.

2012-04-01

A numerical experiment has been carried out in order to study the structure of the wave field during hurricane conditions. High resolution wind data for a hurricane were obtained by the use of a Holland type asymmetric model. The third generation wind-wave model SWAN has been used in this study. A reference framework for the structure of the wave field in hurricanes is obtained using the NDBC directional buoy database in the Caribbean Sea and the Gulf of Mexico. This observational reference is used to assess the ability of the model to reproduce the complexity of the wave field observed in hurricanes. It is found that the numerical results are in good agreement with the observed wave field in the hurricane: higher waves are in the right forward quadrant of the hurricane, where the spectral shape tends to become uni-modal. More complex spectral shapes are observed in the rear quadrants of the hurricane, where a tendency of the spectra to become multi-modal is observed. As pointed out by other authors, the wave field in the hurricane is dominated by swell propagating at significant angles to the local wind directions, except on a small region between the first and fourth quadrants. A deeper insight on the role of the physics that controls the evolution of the wave field is assessed by the analysis of the effect of the source terms computed by the wave model in the four quadrants of the hurricane. This is a contribution to the project CB-168173, funded by CONACYT.

Economic evaluation in chronic pain: a systematic review and de novo flexible economic model.

PubMed

Sullivan, W; Hirst, M; Beard, S; Gladwell, D; Fagnani, F; López Bastida, J; Phillips, C; Dunlop, W C N

2016-07-01

There is unmet need in patients suffering from chronic pain, yet innovation may be impeded by the difficulty of justifying economic value in a field beset by data limitations and methodological variability. A systematic review was conducted to identify and summarise the key areas of variability and limitations in modelling approaches in the economic evaluation of treatments for chronic pain. The results of the literature review were then used to support the development of a fully flexible open-source economic model structure, designed to test structural and data assumptions and act as a reference for future modelling practice. The key model design themes identified from the systematic review included: time horizon; titration and stabilisation; number of treatment lines; choice/ordering of treatment; and the impact of parameter uncertainty (given reliance on expert opinion). Exploratory analyses using the model to compare a hypothetical novel therapy versus morphine as first-line treatments showed cost-effectiveness results to be sensitive to structural and data assumptions. Assumptions about the treatment pathway and choice of time horizon were key model drivers. Our results suggest structural model design and data assumptions may have driven previous cost-effectiveness results and ultimately decisions based on economic value. We therefore conclude that it is vital that future economic models in chronic pain are designed to be fully transparent and hope our open-source code is useful in order to aspire to a common approach to modelling pain that includes robust sensitivity analyses to test structural and parameter uncertainty.

Rapid Prototyping Integrated With Nondestructive Evaluation and Finite Element Analysis

NASA Technical Reports Server (NTRS)

Abdul-Aziz, Ali; Baaklini, George Y.

2001-01-01

Most reverse engineering approaches involve imaging or digitizing an object then creating a computerized reconstruction that can be integrated, in three dimensions, into a particular design environment. Rapid prototyping (RP) refers to the practical ability to build high-quality physical prototypes directly from computer aided design (CAD) files. Using rapid prototyping, full-scale models or patterns can be built using a variety of materials in a fraction of the time required by more traditional prototyping techniques (refs. 1 and 2). Many software packages have been developed and are being designed to tackle the reverse engineering and rapid prototyping issues just mentioned. For example, image processing and three-dimensional reconstruction visualization software such as Velocity2 (ref. 3) are being used to carry out the construction process of three-dimensional volume models and the subsequent generation of a stereolithography file that is suitable for CAD applications. Producing three-dimensional models of objects from computed tomography (CT) scans is becoming a valuable nondestructive evaluation methodology (ref. 4). Real components can be rendered and subjected to temperature and stress tests using structural engineering software codes. For this to be achieved, accurate high-resolution images have to be obtained via CT scans and then processed, converted into a traditional file format, and translated into finite element models. Prototyping a three-dimensional volume of a composite structure by reading in a series of two-dimensional images generated via CT and by using and integrating commercial software (e.g. Velocity2, MSC/PATRAN (ref. 5), and Hypermesh (ref. 6)) is being applied successfully at the NASA Glenn Research Center. The building process from structural modeling to the analysis level is outlined in reference 7. Subsequently, a stress analysis of a composite cooling panel under combined thermomechanical loading conditions was performed to validate this process.

Analysis of frame structure of medium and small truck crane

NASA Astrophysics Data System (ADS)

Cao, Fuyi; Li, Jinlong; Cui, Mengkai

2018-03-01

Truck crane is an important part of hoisting machinery. Frame, as the support component of the quality of truck crane, determines the safety of crane jib load and the rationality of structural design. In this paper, the truck crane frame is a box structure, the three-dimensional model is established in CATIA software, and imported into Hyperworks software for finite element analysis. On the base of doing constraints and loads for the finite element model of the frame, the finite element static analysis is carried out. And the static stress test verifies whether the finite element model and the frame structure design are reasonable; then the free modal analysis of the frame and the analysis of the first 8 - order modal vibration deformation are carried out. The analysis results show that the maximum stress value of the frame is greater than the yield limit value of the material, and the low-order modal value is close to the excitation frequency value, which needs to be improved to provide theoretical reference for the structural design of the truck crane frame.

The application of the multi-alternative approach in active neural network models

NASA Astrophysics Data System (ADS)

Podvalny, S.; Vasiljev, E.

2017-02-01

The article refers to the construction of intelligent systems based artificial neuron networks are used. We discuss the basic properties of the non-compliance of artificial neuron networks and their biological prototypes. It is shown here that the main reason for these discrepancies is the structural immutability of the neuron network models in the learning process, that is, their passivity. Based on the modern understanding of the biological nervous system as a structured ensemble of nerve cells, it is proposed to abandon the attempts to simulate its work at the level of the elementary neurons functioning processes and proceed to the reproduction of the information structure of data storage and processing on the basis of the general enough evolutionary principles of multialternativity, i.e. the multi-level structural model, diversity and modularity. The implementation method of these principles is offered, using the faceted memory organization in the neuron network with the rearranging active structure. An example of the implementation of the active facet-type neuron network in the intellectual decision-making system in the conditions of critical events development in the electrical distribution system.

Measuring Emergent Organizational Properties: A Structural Equation Modeling Test of Self- versus Group-Referent Perceptions

ERIC Educational Resources Information Center

Goddard, Roger D.; LoGerfo, Laura F.

2007-01-01

This article presents a theoretical rationale and empirical evidence regarding the validity of scores obtained from two competing approaches to operationalizing scale items to measure emergent organizational properties. The authors consider whether items in scales intended to measure organizational properties should prompt survey takers to provide…

Beyond Broca's and Wernicke's Areas: A New Perspective on the Neurobiology of Language.

ERIC Educational Resources Information Center

Lem, Lawrence

1992-01-01

Proposes a neurobiological model in which a greater number of brain structures than previously indicated are involved in language functions, with particular reference to second language learning. The study examines three areas of the brain rarely associated with language: the anterior cingulate gyrus, the prefrontal cortex, and the basal temporal…

Presentation-Practice-Production and Task-Based Learning in the Light of Second Language Learning Theories.

ERIC Educational Resources Information Center

Ritchie, Graeme

2003-01-01

Features of presentation-practice-production (PPP) and task-based learning (TBL) models for language teaching are discussed with reference to language learning theories. Pre-selection of target structures, use of controlled repetition, and explicit grammar instruction in a PPP lesson are given. Suggests TBL approaches afford greater learning…

Computer-Based Tutoring of Visual Concepts: From Novice to Experts.

ERIC Educational Resources Information Center

Sharples, Mike

1991-01-01

Description of ways in which computers might be used to teach visual concepts discusses hypermedia systems; describes computer-generated tutorials; explains the use of computers to create learning aids such as concept maps, feature spaces, and structural models; and gives examples of visual concept teaching in medical education. (10 references)…

Effects of Aeroelastic Tailoring on Anisotropic Composite Material Beam Models of Helicopter Blades

DTIC Science & Technology

1989-05-01

34 means that a layer of material at some distance above a structural midsurface reference location has the identical ply thickness, angular orientation...and material properties as that of a lamina at an identical distance below the midsurface [1]. If the fibers are placed off-axis in the upper and

Efficiently explore the energy landscape of proteins in molecular dynamics simulations by amplifying collective motions

NASA Astrophysics Data System (ADS)

He, Jianbin; Zhang, Zhiyong; Shi, Yunyu; Liu, Haiyan

2003-08-01

We describe a method for efficient sampling of the energy landscape of a protein in atomic molecular dynamics simulations. A simulation is divided into alternatively occurring relaxation phases and excitation phases. In the relaxation phase (conventional simulation), we use a frequently updated reference structure and deviations from this reference structure to mark whether the system has been trapped in a local minimum. In that case, the simulation enters the excitation phase, during which a few slow collective modes of the system are coupled to a higher temperature bath. After the system has escaped from the minimum (also judged by deviations from the reference structure) the simulation reenters the relaxation phase. The collective modes are obtained from a coarse-grained Gaussian elastic network model. The scheme, which we call ACM-AME (amplified collective motion-assisted minimum escaping), is compared with conventional simulations as well as an alternative scheme that elevates the temperature of all degrees of freedom during the excitation phase (amplified overall motion-assisted minimum escaping, or AOM-AME). Comparison is made using simulations on four peptides starting from non-native extended or all helical structures. In terms of sampling low energy conformations and continuously sampling new conformations throughout a simulation, the ACM-AME scheme demonstrates very good performance while the AOM-AME scheme shows little improvement upon conventional simulations. Limited success is achieved in producing structures close to the native structures of the peptides: for an S-peptide analog, the ACM-AME approach is able to reproduce its native helical structure, and starting from an all-helical structure of the villin headpiece subdomain (HP-36) in implicit solvent, two out of three 150 ns ACM-AME runs are able to sample structures with 3-4 Å backbone root-mean-square deviations from the nuclear magnetic resonance structure of the protein.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medeiros, Brian; Williamson, David L.; Olson, Jerry G.

In this study, fundamental characteristics of the aquaplanet climate simulated by the Community Atmosphere Model, Version 5.3 (CAM5.3) are presented. The assumptions and simplifications of the configuration are described. A 16 year long, perpetual equinox integration with prescribed SST using the model’s standard 18 grid spacing is presented as a reference simulation. Statistical analysis is presented that shows similar aquaplanet configurations can be run for about 2 years to obtain robust climatological structures, including global and zonal means, eddy statistics, and precipitation distributions. Such a simulation can be compared to the reference simulation to discern differences in the climate, includingmore » an assessment of confidence in the differences. To aid such comparisons, the reference simulation has been made available via earthsystemgrid.org. Examples are shown comparing the reference simulation with simulations from the CAM5 series that make different microphysical assumptions and use a different dynamical core.« less

Competition for light between individual trees lowers reference canopy stomatal conductance: Results from a model

NASA Astrophysics Data System (ADS)

Loranty, Michael M.; Mackay, D. Scott; Ewers, Brent E.; Traver, Elizabeth; Kruger, Eric L.

2010-12-01

We have used an ecosystem model, TREES (Terrestrial Regional Ecosystem Exchange Simulator), to test the hypothesis that competition for light limits reference canopy stomatal conductance (GSref; conductance at 1 kPa vapor pressure deficit) for individual tree crowns. Sap flux (JS) data was collected at an aspen-dominated unmanaged early successional site, and at a sugar maple dominated midsuccessional site managed for timber production. Using a Monte Carlo approach, JS scaled canopy transpiration (EC) estimates were used to parameterize two versions of the model for each tree individually; a control model treated trees as isolated individuals, and a modified version incorporated the shading effects of neighboring individuals on incident radiation. Agreement between simulated and observed EC was better for maple than for aspen using the control model. Accounting for canopy heterogeneity using a three-dimensional canopy representation had minimal effects on estimates of GSref or model performance for individual maples. At the Aspen site the modified model resulted in improved EC estimates, particularly for trees with lower GSref and more shading by neighboring individuals. Our results imply a link between photosynthetic capacity, as mediated by competitive light environment, and GSref. We conclude that accounting for the effects of canopy heterogeneity on incident radiation improves modeled estimates of canopy carbon and water fluxes, especially for shade intolerant species. Furthermore our results imply a link between ecosystem structure and function that may be exploited to elucidate the impacts of forest structural heterogeneity on ecosystem fluxes of carbon and water via LiDAR remote sensing.

Reconceptualizing the classification of PNAS articles

PubMed Central

Airoldi, Edoardo M.; Erosheva, Elena A.; Fienberg, Stephen E.; Joutard, Cyrille; Love, Tanzy; Shringarpure, Suyash

2010-01-01

PNAS article classification is rooted in long-standing disciplinary divisions that do not necessarily reflect the structure of modern scientific research. We reevaluate that structure using latent pattern models from statistical machine learning, also known as mixed-membership models, that identify semantic structure in co-occurrence of words in the abstracts and references. Our findings suggest that the latent dimensionality of patterns underlying PNAS research articles in the Biological Sciences is only slightly larger than the number of categories currently in use, but it differs substantially in the content of the categories. Further, the number of articles that are listed under multiple categories is only a small fraction of what it should be. These findings together with the sensitivity analyses suggest ways to reconceptualize the organization of papers published in PNAS. PMID:21078953

Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules.

PubMed

Cao, Siqin; Sheong, Fu Kit; Huang, Xuhui

2015-08-07

Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.

Minimum spanning tree analysis of the human connectome.

PubMed

van Dellen, Edwin; Sommer, Iris E; Bohlken, Marc M; Tewarie, Prejaas; Draaisma, Laurijn; Zalesky, Andrew; Di Biase, Maria; Brown, Jesse A; Douw, Linda; Otte, Willem M; Mandl, René C W; Stam, Cornelis J

2018-06-01

One of the challenges of brain network analysis is to directly compare network organization between subjects, irrespective of the number or strength of connections. In this study, we used minimum spanning tree (MST; a unique, acyclic subnetwork with a fixed number of connections) analysis to characterize the human brain network to create an empirical reference network. Such a reference network could be used as a null model of connections that form the backbone structure of the human brain. We analyzed the MST in three diffusion-weighted imaging datasets of healthy adults. The MST of the group mean connectivity matrix was used as the empirical null-model. The MST of individual subjects matched this reference MST for a mean 58%-88% of connections, depending on the analysis pipeline. Hub nodes in the MST matched with previously reported locations of hub regions, including the so-called rich club nodes (a subset of high-degree, highly interconnected nodes). Although most brain network studies have focused primarily on cortical connections, cortical-subcortical connections were consistently present in the MST across subjects. Brain network efficiency was higher when these connections were included in the analysis, suggesting that these tracts may be utilized as the major neural communication routes. Finally, we confirmed that MST characteristics index the effects of brain aging. We conclude that the MST provides an elegant and straightforward approach to analyze structural brain networks, and to test network topological features of individual subjects in comparison to empirical null models. © 2018 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc.

Automatic phylogenetic classification of bacterial beta-lactamase sequences including structural and antibiotic substrate preference information.

PubMed

Ma, Jianmin; Eisenhaber, Frank; Maurer-Stroh, Sebastian

2013-12-01

Beta lactams comprise the largest and still most effective group of antibiotics, but bacteria can gain resistance through different beta lactamases that can degrade these antibiotics. We developed a user friendly tree building web server that allows users to assign beta lactamase sequences to their respective molecular classes and subclasses. Further clinically relevant information includes if the gene is typically chromosomal or transferable through plasmids as well as listing the antibiotics which the most closely related reference sequences are known to target and cause resistance against. This web server can automatically build three phylogenetic trees: the first tree with closely related sequences from a Tachyon search against the NCBI nr database, the second tree with curated reference beta lactamase sequences, and the third tree built specifically from substrate binding pocket residues of the curated reference beta lactamase sequences. We show that the latter is better suited to recover antibiotic substrate assignments through nearest neighbor annotation transfer. The users can also choose to build a structural model for the query sequence and view the binding pocket residues of their query relative to other beta lactamases in the sequence alignment as well as in the 3D structure relative to bound antibiotics. This web server is freely available at http://blac.bii.a-star.edu.sg/.

Composite materials and structures: Science, technology and applications. A compendium of books, review papers, and other sources of information

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bogdanovich, A.E.; Sierakowski, R.L.

A fast growing volume of literature in various fields of composite materials and structures has inspired the authors to attempt to assemble all major books and review papers in a concise compendium presented here. This could give researchers, engineers, designers, and graduate students a rapid access to the vast volume of references on any specific topic in the field of composites and thereby satisfy their research requirements. The compendium includes encyclopedias, handbooks, design guides, textbooks, reference books, review papers and also a few collections of papers. The topics span theory, modeling and analysis of composite materials, processing and manufacturing, propertiesmore » and characterization, theory and analysis of composite structures, joints and connections, designing with composites, and composites applications. The compendium includes over 400 references, which are arranged in alphabetical order within each topic under consideration. Additionally, the reader can find, in this compendium, the lists of major conferences, journals, and ASTM STP publications on composites. The major objective of this work is not critically reviewing or discussing specific research approaches and results. The authors have rather intended to provide extensive bibliographic information that may help the reader to get familiar with the primary literature and, in necessary, undertake further literature search on any particular problem of interest.« less

Decentralized digital adaptive control of robot motion

NASA Technical Reports Server (NTRS)

Tarokh, M.

1990-01-01

A decentralized model reference adaptive scheme is developed for digital control of robot manipulators. The adaptation laws are derived using hyperstability theory, which guarantees asymptotic trajectory tracking despite gross robot parameter variations. The control scheme has a decentralized structure in the sense that each local controller receives only its joint angle measurement to produce its joint torque. The independent joint controllers have simple structures and can be programmed using a very simple and computationally fast algorithm. As a result, the scheme is suitable for real-time motion control.

Towards development of enhanced fully-Lagrangian mesh-free computational methods for fluid-structure interaction

NASA Astrophysics Data System (ADS)

Khayyer, Abbas; Gotoh, Hitoshi; Falahaty, Hosein; Shimizu, Yuma

2018-02-01

Simulation of incompressible fluid flow-elastic structure interactions is targeted by using fully-Lagrangian mesh-free computational methods. A projection-based fluid model (moving particle semi-implicit (MPS)) is coupled with either a Newtonian or a Hamiltonian Lagrangian structure model (MPS or HMPS) in a mathematically-physically consistent manner. The fluid model is founded on the solution of Navier-Stokes and continuity equations. The structure models are configured either in the framework of Newtonian mechanics on the basis of conservation of linear and angular momenta, or Hamiltonian mechanics on the basis of variational principle for incompressible elastodynamics. A set of enhanced schemes are incorporated for projection-based fluid model (Enhanced MPS), thus, the developed coupled solvers for fluid structure interaction (FSI) are referred to as Enhanced MPS-MPS and Enhanced MPS-HMPS. Besides, two smoothed particle hydrodynamics (SPH)-based FSI solvers, being developed by the authors, are considered and their potential applicability and comparable performance are briefly discussed in comparison with MPS-based FSI solvers. The SPH-based FSI solvers are established through coupling of projection-based incompressible SPH (ISPH) fluid model and SPH-based Newtonian/Hamiltonian structure models, leading to Enhanced ISPH-SPH and Enhanced ISPH-HSPH. A comparative study is carried out on the performances of the FSI solvers through a set of benchmark tests, including hydrostatic water column on an elastic plate, high speed impact of an elastic aluminum beam, hydroelastic slamming of a marine panel and dam break with elastic gate.

Predicting thermal reference conditions for USA streams and rivers

USGS Publications Warehouse

Hill, Ryan A.; Hawkins, Charles P.; Carlisle, Daren M.

2013-01-01

Temperature is a primary driver of the structure and function of stream ecosystems. However, the lack of stream temperature (ST) data for the vast majority of streams and rivers severely compromises our ability to describe patterns of thermal variation among streams, test hypotheses regarding the effects of temperature on macroecological patterns, and assess the effects of altered STs on ecological resources. Our goal was to develop empirical models that could: 1) quantify the effects of stream and watershed alteration (SWA) on STs, and 2) accurately and precisely predict natural (i.e., reference condition) STs in conterminous USA streams and rivers. We modeled 3 ecologically important elements of the thermal regime: mean summer, mean winter, and mean annual ST. To build reference-condition models (RCMs), we used daily mean ST data obtained from several thousand US Geological Survey temperature sites distributed across the conterminous USA and iteratively modeled ST with Random Forests to identify sites in reference condition. We first created a set of dirty models (DMs) that related STs to both natural factors (e.g., climate, watershed area, topography) and measures of SWA, i.e., reservoirs, urbanization, and agriculture. The 3 models performed well (r2 = 0.84–0.94, residual mean square error [RMSE] = 1.2–2.0°C). For each DM, we used partial dependence plots to identify SWA thresholds below which response in ST was minimal. We then used data from only the sites with upstream SWA below these thresholds to build RCMs with only natural factors as predictors (r2 = 0.87–0.95, RMSE = 1.1–1.9°C). Use of only reference-quality sites caused RCMs to suffer modest loss of predictor space and spatial coverage, but this loss was associated with parts of ST response curves that were flat and, therefore, not responsive to further variation in predictor space. We then compared predictions made with the RCMs to predictions made with the DMs with SWA set to 0. For most DMs, setting SWAs to 0 resulted in biased estimates of thermal reference condition.

Coupling of electromagnetic and structural dynamics for a wind turbine generator

NASA Astrophysics Data System (ADS)

Matzke, D.; Rick, S.; Hollas, S.; Schelenz, R.; Jacobs, G.; Hameyer, K.

2016-09-01

This contribution presents a model interface of a wind turbine generator to represent the reciprocal effects between the mechanical and the electromagnetic system. Therefore, a multi-body-simulation (MBS) model in Simpack is set up and coupled with a quasi-static electromagnetic (EM) model of the generator in Matlab/Simulink via co-simulation. Due to lack of data regarding the structural properties of the generator the modal properties of the MBS model are fitted with respect to results of an experimental modal analysis (EMA) on the reference generator. The used method and the results of this approach are presented in this paper. The MB S model and the interface are set up in such a way that the EM forces can be applied to the structure and the response of the structure can be fed back to the EM model. The results of this cosimulation clearly show an influence of the feedback of the mechanical response which is mainly damping in the torsional degree of freedom and effects due to eccentricity in radial direction. The accuracy of these results will be validated via test bench measurements and presented in future work. Furthermore it is suggested that the EM model should be adjusted in future works so that transient effects are represented.

Calibration of X-Ray diffractometer by the experimental comparison method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dudka, A. P., E-mail: dudka@ns.crys.ras.ru

2015-07-15

A software for calibrating an X-ray diffractometer with area detector has been developed. It is proposed to search for detector and goniometer calibration models whose parameters are reproduced in a series of measurements on a reference crystal. Reference (standard) crystals are prepared during the investigation; they should provide the agreement of structural models in repeated analyses. The technique developed has been used to calibrate Xcalibur Sapphire and Eos, Gemini Ruby (Agilent) and Apex x8 and Apex Duo (Bruker) diffractometers. The main conclusions are as follows: the calibration maps are stable for several years and can be used to improve structuralmore » results, verified CCD detectors exhibit significant inhomogeneity of the efficiency (response) function, and a Bruker goniometer introduces smaller distortions than an Agilent goniometer.« less

Recursive thoughts on the simulation of the flexible multibody dynamics of slender offshore structures

NASA Astrophysics Data System (ADS)

Schilder, J.; Ellenbroek, M.; de Boer, A.

2017-12-01

In this work, the floating frame of reference formulation is used to create a flexible multibody model of slender offshore structures such as pipelines and risers. It is shown that due to the chain-like topology of the considered structures, the equation of motion can be expressed in terms of absolute interface coordinates. In the presented form, kinematic constraint equations are satisfied explicitly and the Lagrange multipliers are eliminated from the equations. Hence, the structures can be conveniently coupled to finite element or multibody models of for example seabed and vessel. The chain-like topology enables the efficient use of recursive solution procedures for both transient dynamic analysis and equilibrium analysis. For this, the transfer matrix method is used. In order to improve the convergence of the equilibrium analysis, the analytical solution of an ideal catenary is used as an initial configuration, reducing the number of required iterations.

Probing the solar core with low-degree p modes

NASA Astrophysics Data System (ADS)

Roxburgh, I. W.; Vorontsov, S. V.

2002-01-01

We address the question of what could be learned about the solar core structure if the seismic data were limited to low-degree modes only. The results of three different experiments are described. The first is the linearized structural inversion of the p-mode frequencies of a solar model modified slightly in the energy-generating core, using the original (unmodified) model as an initial guess. In the second experiment, we invert the solar p-mode frequencies measured in the 32-month subset of BiSON data (Chaplin et al. 1998), degraded with additional 0.1 μHz random errors, using a model of 2.6 Gyr age from the solar evolutionary sequence as an initial approximation. This second inversion is non-linear. In the third experiment, we compare the same set of BiSON frequencies with current reference solar model.

Combining automated peak tracking in SAR by NMR with structure-based backbone assignment from 15N-NOESY

PubMed Central

2012-01-01

Background Chemical shift mapping is an important technique in NMR-based drug screening for identifying the atoms of a target protein that potentially bind to a drug molecule upon the molecule's introduction in increasing concentrations. The goal is to obtain a mapping of peaks with known residue assignment from the reference spectrum of the unbound protein to peaks with unknown assignment in the target spectrum of the bound protein. Although a series of perturbed spectra help to trace a path from reference peaks to target peaks, a one-to-one mapping generally is not possible, especially for large proteins, due to errors, such as noise peaks, missing peaks, missing but then reappearing, overlapped, and new peaks not associated with any peaks in the reference. Due to these difficulties, the mapping is typically done manually or semi-automatically, which is not efficient for high-throughput drug screening. Results We present PeakWalker, a novel peak walking algorithm for fast-exchange systems that models the errors explicitly and performs many-to-one mapping. On the proteins: hBclXL, UbcH5B, and histone H1, it achieves an average accuracy of over 95% with less than 1.5 residues predicted per target peak. Given these mappings as input, we present PeakAssigner, a novel combined structure-based backbone resonance and NOE assignment algorithm that uses just 15N-NOESY, while avoiding TOCSY experiments and 13C-labeling, to resolve the ambiguities for a one-to-one mapping. On the three proteins, it achieves an average accuracy of 94% or better. Conclusions Our mathematical programming approach for modeling chemical shift mapping as a graph problem, while modeling the errors directly, is potentially a time- and cost-effective first step for high-throughput drug screening based on limited NMR data and homologous 3D structures. PMID:22536902

PROGEN: An automated modelling algorithm for the generation of complete protein structures from the α-carbon atomic coordinates

NASA Astrophysics Data System (ADS)

Mandal, Chhabinath; Linthicum, D. Scott

1993-04-01

A modelling algorithm (PROGEN) for the generation of complete protein atomic coordinates from only the α-carbon coordinates is described. PROGEN utilizes an optimal geometry parameter (OGP) database for the positioning of atoms for each amino acid of the polypeptide model. The OGP database was established by examining the statistical correlations between 23 different intra-peptide and inter-peptide geometric parameters relative to the α-carbon distances for each amino acid in a library of 19 known proteins from the Brookhaven Protein Database (BPDB). The OGP files for specific amino acids and peptides were used to generate the atomic positions, with respect to α-carbons, for main-chain and side-chain atoms in the modelled structure. Refinement of the initial model was accomplished using energy minimization (EM) and molecular dynamics techniques. PROGEN was tested using 60 known proteins in the BPDB, representing a wide spectrum of primary and secondary structures. Comparison between PROGEN models and BPDB crystal reference structures gave r.m.s.d. values for peptide main-chain atoms between 0.29 and 0.76 Å, with a grand average of 0.53 Å for all 60 models. The r.m.s.d. for all non-hydrogen atoms ranged between 1.44 and 1.93 Å for the 60 polypeptide models. PROGEN was also able to make the correct assignment of cis- or trans-proline configurations in the protein structures examined. PROGEN offers a fully automatic building and refinement procedure and requires no special or specific structural considerations for the protein to be modelled.

An empirical test of a diffusion model: predicting clouded apollo movements in a novel environment.

PubMed

Ovaskainen, Otso; Luoto, Miska; Ikonen, Iiro; Rekola, Hanna; Meyke, Evgeniy; Kuussaari, Mikko

2008-05-01

Functional connectivity is a fundamental concept in conservation biology because it sets the level of migration and gene flow among local populations. However, functional connectivity is difficult to measure, largely because it is hard to acquire and analyze movement data from heterogeneous landscapes. Here we apply a Bayesian state-space framework to parameterize a diffusion-based movement model using capture-recapture data on the endangered clouded apollo butterfly. We test whether the model is able to disentangle the inherent movement behavior of the species from landscape structure and sampling artifacts, which is a necessity if the model is to be used to examine how movements depend on landscape structure. We show that this is the case by demonstrating that the model, parameterized with data from a reference landscape, correctly predicts movements in a structurally different landscape. In particular, the model helps to explain why a movement corridor that was constructed as a management measure failed to increase movement among local populations. We illustrate how the parameterized model can be used to derive biologically relevant measures of functional connectivity, thus linking movement data with models of spatial population dynamics.

Mathematics teachers' conceptions about modelling activities and its reflection on their beliefs about mathematics

NASA Astrophysics Data System (ADS)

Shahbari, Juhaina Awawdeh

2018-07-01

The current study examines whether the engagement of mathematics teachers in modelling activities and subsequent changes in their conceptions about these activities affect their beliefs about mathematics. The sample comprised 52 mathematics teachers working in small groups in four modelling activities. The data were collected from teachers' Reports about features of each activity, interviews and questionnaires on teachers' beliefs about mathematics. The findings indicated changes in teachers' conceptions about the modelling activities. Most teachers referred to the first activity as a mathematical problem but emphasized only the mathematical notions or the mathematical operations in the modelling process; changes in their conceptions were gradual. Most of the teachers referred to the fourth activity as a mathematical problem and emphasized features of the whole modelling process. The results of the interviews indicated that changes in the teachers' conceptions can be attributed to structure of the activities, group discussions, solution paths and elicited models. These changes about modelling activities were reflected in teachers' beliefs about mathematics. The quantitative findings indicated that the teachers developed more constructive beliefs about mathematics after engagement in the modelling activities and that the difference was significant, however there was no significant difference regarding changes in their traditional beliefs.

Personhood, dementia policy and the Irish National Dementia Strategy.

PubMed

Hennelly, Niamh; O'Shea, Eamon

2017-01-01

Personhood and its realisation in person-centred care is part of the narrative, if not always the reality, of care for people with dementia. This paper examines how personhood is conceptualised and actualised in Ireland through a content analysis of organisational and individual submissions from stakeholders in the development of the Irish National Dementia Strategy, followed by an examination of the Strategy itself. The organisational submissions are further categorised into dementia care models. A structural analysis of the Strategy examines its principles, actions and outcomes in relation to personhood. Of the 72 organisational and individual submissions received in the formulation of the Strategy, 61% contained references to personhood and its synonyms. Of the 35 organisational submissions, 40% fit a biomedical model, 31% a social model and 29% a biopsychosocial model. The Strategy contains one direct reference to personhood and 33 to personhood synonyms. Half of these references were contained within its key principles and objectives; none were associated with priority actions or outcomes. While stakeholders value personhood and the Strategy identifies personhood as an overarching principle, clearer direction on how personhood and person-centred care can be supported in practice and through regulation is necessary in Ireland. The challenge, therefore, is to provide the information, knowledge, incentives and resources for personhood to take hold in dementia care in Ireland.

Summary of Expansions, Updates, and Results in GREET 2017 Suite of Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Michael; Elgowainy, Amgad; Han, Jeongwoo

This report provides a technical summary of the expansions and updates to the 2017 release of Argonne National Laboratory’s Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET®) model, including references and links to key technical documents related to these expansions and updates. The GREET 2017 release includes an updated version of the GREET1 (the fuel-cycle GREET model) and GREET2 (the vehicle-cycle GREET model), both in the Microsoft Excel platform and in the GREET.net modeling platform. Figure 1 shows the structure of the GREET Excel modeling platform. The .net platform integrates all GREET modules together seamlessly.

SU-C-209-02: 3D Fluoroscopic Image Generation From Patient-Specific 4DCBCT-Based Motion Models Derived From Clinical Patient Images

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dhou, S; Cai, W; Hurwitz, M

Purpose: We develop a method to generate time varying volumetric images (3D fluoroscopic images) using patient-specific motion models derived from four-dimensional cone-beam CT (4DCBCT). Methods: Motion models are derived by selecting one 4DCBCT phase as a reference image, and registering the remaining images to it. Principal component analysis (PCA) is performed on the resultant displacement vector fields (DVFs) to create a reduced set of PCA eigenvectors that capture the majority of respiratory motion. 3D fluoroscopic images are generated by optimizing the weights of the PCA eigenvectors iteratively through comparison of measured cone-beam projections and simulated projections generated from the motionmore » model. This method was applied to images from five lung-cancer patients. The spatial accuracy of this method is evaluated by comparing landmark positions in the 3D fluoroscopic images to manually defined ground truth positions in the patient cone-beam projections. Results: 4DCBCT motion models were shown to accurately generate 3D fluoroscopic images when the patient cone-beam projections contained clearly visible structures moving with respiration (e.g., the diaphragm). When no moving anatomical structure was clearly visible in the projections, the 3D fluoroscopic images generated did not capture breathing deformations, and reverted to the reference image. For the subset of 3D fluoroscopic images generated from projections with visibly moving anatomy, the average tumor localization error and the 95th percentile were 1.6 mm and 3.1 mm respectively. Conclusion: This study showed that 4DCBCT-based 3D fluoroscopic images can accurately capture respiratory deformations in a patient dataset, so long as the cone-beam projections used contain visible structures that move with respiration. For clinical implementation of 3D fluoroscopic imaging for treatment verification, an imaging field of view (FOV) that contains visible structures moving with respiration should be selected. If no other appropriate structures are visible, the images should include the diaphragm. This project was supported, in part, through a Master Research Agreement with Varian Medical Systems, Inc, Palo Alto, CA.« less

On the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)2.

PubMed

Boguslawski, Katharina; Réal, Florent; Tecmer, Paweł; Duperrouzel, Corinne; Gomes, André Severo Pereira; Legeza, Örs; Ayers, Paul W; Vallet, Valérie

2017-02-08

Actinide-containing complexes present formidable challenges for electronic structure methods due to the large number of degenerate or quasi-degenerate electronic states arising from partially occupied 5f and 6d shells. Conventional multi-reference methods can treat active spaces that are often at the upper limit of what is required for a proper treatment of species with complex electronic structures, leaving no room for verifying their suitability. In this work we address the issue of properly defining the active spaces in such calculations, and introduce a protocol to determine optimal active spaces based on the use of the Density Matrix Renormalization Group algorithm and concepts of quantum information theory. We apply the protocol to elucidate the electronic structure and bonding mechanism of volatile plutonium oxides (PuO 3 and PuO 2 (OH) 2 ), species associated with nuclear safety issues for which little is known about the electronic structure and energetics. We show how, within a scalar relativistic framework, orbital-pair correlations can be used to guide the definition of optimal active spaces which provide an accurate description of static/non-dynamic electron correlation, as well as to analyse the chemical bonding beyond a simple orbital model. From this bonding analysis we are able to show that the addition of oxo- or hydroxo-groups to the plutonium dioxide species considerably changes the π-bonding mechanism with respect to the bare triatomics, resulting in bent structures with a considerable multi-reference character.

Integrated Aeroservoelastic Optimization: Status and Direction

NASA Technical Reports Server (NTRS)

Livne, Eli

1999-01-01

The interactions of lightweight flexible airframe structures, steady and unsteady aerodynamics, and wide-bandwidth active controls on modern airplanes lead to considerable multidisciplinary design challenges. More than 25 years of mathematical and numerical methods' development, numerous basic research studies, simulations and wind-tunnel tests of simple models, wind-tunnel tests of complex models of real airplanes, as well as flight tests of actively controlled airplanes, have all contributed to the accumulation of a substantial body of knowledge in the area of aeroservoelasticity. A number of analysis codes, with the capabilities to model real airplane systems under the assumptions of linearity, have been developed. Many tests have been conducted, and results were correlated with analytical predictions. A selective sample of references covering aeroservoelastic testing programs from the 1960s to the early 1980s, as well as more recent wind-tunnel test programs of real or realistic configurations, are included in the References section of this paper. An examination of references 20-29 will reveal that in the course of development (or later modification), of almost every modern airplane with a high authority active control system, there arose a need to face aeroservoelastic problems and aeroservoelastic design challenges.

Global Arrays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krishnamoorthy, Sriram; Daily, Jeffrey A.; Vishnu, Abhinav

2015-11-01

Global Arrays (GA) is a distributed-memory programming model that allows for shared-memory-style programming combined with one-sided communication, to create a set of tools that combine high performance with ease-of-use. GA exposes a relatively straightforward programming abstraction, while supporting fully-distributed data structures, locality of reference, and high-performance communication. GA was originally formulated in the early 1990’s to provide a communication layer for the Northwest Chemistry (NWChem) suite of chemistry modeling codes that was being developed concurrently.

MicroCT-Based Skeletal Models for Use in Tomographic Voxel Phantoms for Radiological Protection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolch, Wesley

The University of Florida (UF) proposes to develop two high-resolution image-based skeletal dosimetry models for direct use by ICRP Committee 2’s Task Group on Dose Calculation in their forthcoming Reference Voxel Male (RVM) and Reference Voxel Female (RVF) whole-body dosimetry phantoms. These two phantoms are CT-based, and thus do not have the image resolution to delineate and perform radiation transport modeling of the individual marrow cavities and bone trabeculae throughout their skeletal structures. Furthermore, new and innovative 3D microimaging techniques will now be required for the skeletal tissues following Committee 2’s revision of the target tissues of relevance for radiogenicmore » bone cancer induction. This target tissue had been defined in ICRP Publication 30 as a 10-μm cell layer on all bone surfaces of trabecular and cortical bone. The revised target tissue is now a 50-μm layer within the marrow cavities of trabecular bone only and is exclusive of the marrow adipocytes. Clearly, this new definition requires the use of 3D microimages of the trabecular architecture not available from past 2D optical studies of the adult skeleton. With our recent acquisition of two relatively young cadavers (males of age 18-years and 40-years), we will develop a series of reference skeletal models that can be directly applied to (1) the new ICRP reference voxel man and female phantoms developed for the ICRP, and (2) pediatric phantoms developed to target the ICRP reference children. Dosimetry data to be developed will include absorbed fractions for internal beta and alpha-particle sources, as well as photon and neutron fluence-to-dose response functions for direct use in external dosimetry studies of the ICRP reference workers and members of the general public« less

Weak Lensing Peaks in Simulated Light-Cones: Investigating the Coupling between Dark Matter and Dark Energy

NASA Astrophysics Data System (ADS)

Giocoli, Carlo; Moscardini, Lauro; Baldi, Marco; Meneghetti, Massimo; Metcalf, Robert B.

2018-05-01

In this paper, we study the statistical properties of weak lensing peaks in light-cones generated from cosmological simulations. In order to assess the prospects of such observable as a cosmological probe, we consider simulations that include interacting Dark Energy (hereafter DE) models with coupling term between DE and Dark Matter. Cosmological models that produce a larger population of massive clusters have more numerous high signal-to-noise peaks; among models with comparable numbers of clusters those with more concentrated haloes produce more peaks. The most extreme model under investigation shows a difference in peak counts of about 20% with respect to the reference ΛCDM model. We find that peak statistics can be used to distinguish a coupling DE model from a reference one with the same power spectrum normalisation. The differences in the expansion history and the growth rate of structure formation are reflected in their halo counts, non-linear scale features and, through them, in the properties of the lensing peaks. For a source redshift distribution consistent with the expectations of future space-based wide field surveys, we find that typically seventy percent of the cluster population contributes to weak-lensing peaks with signal-to-noise ratios larger than two, and that the fraction of clusters in peaks approaches one-hundred percent for haloes with redshift z ≤ 0.5. Our analysis demonstrates that peak statistics are an important tool for disentangling DE models by accurately tracing the structure formation processes as a function of the cosmic time.

Integrated Modeling Activities for the James Webb Space Telescope (JWST): Structural-Thermal-Optical Analysis

NASA Technical Reports Server (NTRS)

Johnston, John D.; Parrish, Keith; Howard, Joseph M.; Mosier, Gary E.; McGinnis, Mark; Bluth, Marcel; Kim, Kevin; Ha, Hong Q.

2004-01-01

This is a continuation of a series of papers on modeling activities for JWST. The structural-thermal- optical, often referred to as "STOP", analysis process is used to predict the effect of thermal distortion on optical performance. The benchmark STOP analysis for JWST assesses the effect of an observatory slew on wavefront error. The paper begins an overview of multi-disciplinary engineering analysis, or integrated modeling, which is a critical element of the JWST mission. The STOP analysis process is then described. This process consists of the following steps: thermal analysis, structural analysis, and optical analysis. Temperatures predicted using geometric and thermal math models are mapped to the structural finite element model in order to predict thermally-induced deformations. Motions and deformations at optical surfaces are input to optical models and optical performance is predicted using either an optical ray trace or WFE estimation techniques based on prior ray traces or first order optics. Following the discussion of the analysis process, results based on models representing the design at the time of the System Requirements Review. In addition to baseline performance predictions, sensitivity studies are performed to assess modeling uncertainties. Of particular interest is the sensitivity of optical performance to uncertainties in temperature predictions and variations in metal properties. The paper concludes with a discussion of modeling uncertainty as it pertains to STOP analysis.

A bi-articular model for scapular-humeral rhythm reconstruction through data from wearable sensors.

PubMed

Lorussi, Federico; Carbonaro, Nicola; De Rossi, Danilo; Tognetti, Alessandro

2016-04-23

Patient-specific performance assessment of arm movements in daily life activities is fundamental for neurological rehabilitation therapy. In most applications, the shoulder movement is simplified through a socket-ball joint, neglecting the movement of the scapular-thoracic complex. This may lead to significant errors. We propose an innovative bi-articular model of the human shoulder for estimating the position of the hand in relation to the sternum. The model takes into account both the scapular-toracic and gleno-humeral movements and their ratio governed by the scapular-humeral rhythm, fusing the information of inertial and textile-based strain sensors. To feed the reconstruction algorithm based on the bi-articular model, an ad-hoc sensing shirt was developed. The shirt was equipped with two inertial measurement units (IMUs) and an integrated textile strain sensor. We built the bi-articular model starting from the data obtained in two planar movements (arm abduction and flexion in the sagittal plane) and analysing the error between the reference data - measured through an optical reference system - and the socket-ball approximation of the shoulder. The 3D model was developed by extending the behaviour of the kinematic chain revealed in the planar trajectories through a parameter identification that takes into account the body structure of the subject. The bi-articular model was evaluated in five subjects in comparison with the optical reference system. The errors were computed in terms of distance between the reference position of the trochlea (end-effector) and the correspondent model estimation. The introduced method remarkably improved the estimation of the position of the trochlea (and consequently the estimation of the hand position during reaching activities) reducing position errors from 11.5 cm to 1.8 cm. Thanks to the developed bi-articular model, we demonstrated a reliable estimation of the upper arm kinematics with a minimal sensing system suitable for daily life monitoring of recovery.

A Reference Model for Monitoring IoT WSN-Based Applications.

PubMed

Capella, Juan Vicente; Campelo, José Carlos; Bonastre, Alberto; Ors, Rafael

2016-10-30

The Internet of Things (IoT) is, at this moment, one of the most promising technologies that has arisen for decades. Wireless Sensor Networks (WSNs) are one of the main pillars for many IoT applications, insofar as they require to obtain context-awareness information. The bibliography shows many difficulties in their real implementation that have prevented its massive deployment. Additionally, in IoT environments where data producers and data consumers are not directly related, compatibility and certification issues become fundamental. Both problems would profit from accurate knowledge of the internal behavior of WSNs that must be obtained by the utilization of appropriate tools. There are many ad-hoc proposals with no common structure or methodology, and intended to monitor a particular WSN. To overcome this problem, this paper proposes a structured three-layer reference model for WSN Monitoring Platforms (WSN-MP), which offers a standard environment for the design of new monitoring platforms to debug, verify and certify a WSN's behavior and performance, and applicable to every WSN. This model also allows the comparative analysis of the current proposals for monitoring the operation of WSNs. Following this methodology, it is possible to achieve a standardization of WSN-MP, promoting new research areas in order to solve the problems of each layer.

Optimizing a desirable fare structure for a bus-subway corridor

PubMed Central

Liu, Bing-Zheng; Ge, Ying-En; Cao, Kai; Jiang, Xi; Meng, Lingyun; Liu, Ding; Gao, Yunfeng

2017-01-01

This paper aims to optimize a desirable fare structure for the public transit service along a bus-subway corridor with the consideration of those factors related to equity in trip, including travel distance and comfort level. The travel distance factor is represented by the distance-based fare strategy, which is an existing differential strategy. The comfort level one is considered in the area-based fare strategy which is a new differential strategy defined in this paper. Both factors are referred to by the combined fare strategy which is composed of distance-based and area-based fare strategies. The flat fare strategy is applied to determine a reference level of social welfare and obtain the general passenger flow along transit lines, which is used to divide areas or zones along the corridor. This problem is formulated as a bi-level program, of which the upper level maximizes the social welfare and the lower level capturing traveler choice behavior is a variable-demand stochastic user equilibrium assignment model. A genetic algorithm is applied to solve the bi-level program while the method of successive averages is adopted to solve the lower-level model. A series of numerical experiments are carried out to illustrate the performance of the models and solution methods. Numerical results indicate that all three differential fare strategies play a better role in enhancing the social welfare than the flat fare strategy and that the fare structure under the combined fare strategy generates the highest social welfare and the largest resulting passenger demand, which implies that the more equity factors a differential fare strategy involves the more desirable fare structure the strategy has. PMID:28981508

Cross modality registration of video and magnetic tracker data for 3D appearance and structure modeling

NASA Astrophysics Data System (ADS)

Sargent, Dusty; Chen, Chao-I.; Wang, Yuan-Fang

2010-02-01

The paper reports a fully-automated, cross-modality sensor data registration scheme between video and magnetic tracker data. This registration scheme is intended for use in computerized imaging systems to model the appearance, structure, and dimension of human anatomy in three dimensions (3D) from endoscopic videos, particularly colonoscopic videos, for cancer research and clinical practices. The proposed cross-modality calibration procedure operates this way: Before a colonoscopic procedure, the surgeon inserts a magnetic tracker into the working channel of the endoscope or otherwise fixes the tracker's position on the scope. The surgeon then maneuvers the scope-tracker assembly to view a checkerboard calibration pattern from a few different viewpoints for a few seconds. The calibration procedure is then completed, and the relative pose (translation and rotation) between the reference frames of the magnetic tracker and the scope is determined. During the colonoscopic procedure, the readings from the magnetic tracker are used to automatically deduce the pose (both position and orientation) of the scope's reference frame over time, without complicated image analysis. Knowing the scope movement over time then allows us to infer the 3D appearance and structure of the organs and tissues in the scene. While there are other well-established mechanisms for inferring the movement of the camera (scope) from images, they are often sensitive to mistakes in image analysis, error accumulation, and structure deformation. The proposed method using a magnetic tracker to establish the camera motion parameters thus provides a robust and efficient alternative for 3D model construction. Furthermore, the calibration procedure does not require special training nor use expensive calibration equipment (except for a camera calibration pattern-a checkerboard pattern-that can be printed on any laser or inkjet printer).

Predicting Gene Structure Changes Resulting from Genetic Variants via Exon Definition Features.

PubMed

Majoros, William H; Holt, Carson; Campbell, Michael S; Ware, Doreen; Yandell, Mark; Reddy, Timothy E

2018-04-25

Genetic variation that disrupts gene function by altering gene splicing between individuals can substantially influence traits and disease. In those cases, accurately predicting the effects of genetic variation on splicing can be highly valuable for investigating the mechanisms underlying those traits and diseases. While methods have been developed to generate high quality computational predictions of gene structures in reference genomes, the same methods perform poorly when used to predict the potentially deleterious effects of genetic changes that alter gene splicing between individuals. Underlying that discrepancy in predictive ability are the common assumptions by reference gene finding algorithms that genes are conserved, well-formed, and produce functional proteins. We describe a probabilistic approach for predicting recent changes to gene structure that may or may not conserve function. The model is applicable to both coding and noncoding genes, and can be trained on existing gene annotations without requiring curated examples of aberrant splicing. We apply this model to the problem of predicting altered splicing patterns in the genomes of individual humans, and we demonstrate that performing gene-structure prediction without relying on conserved coding features is feasible. The model predicts an unexpected abundance of variants that create de novo splice sites, an observation supported by both simulations and empirical data from RNA-seq experiments. While these de novo splice variants are commonly misinterpreted by other tools as coding or noncoding variants of little or no effect, we find that in some cases they can have large effects on splicing activity and protein products, and we propose that they may commonly act as cryptic factors in disease. The software is available from geneprediction.org/SGRF. bmajoros@duke.edu. Supplementary information is available at Bioinformatics online.

Optimizing a desirable fare structure for a bus-subway corridor.

PubMed

Liu, Bing-Zheng; Ge, Ying-En; Cao, Kai; Jiang, Xi; Meng, Lingyun; Liu, Ding; Gao, Yunfeng

2017-01-01

This paper aims to optimize a desirable fare structure for the public transit service along a bus-subway corridor with the consideration of those factors related to equity in trip, including travel distance and comfort level. The travel distance factor is represented by the distance-based fare strategy, which is an existing differential strategy. The comfort level one is considered in the area-based fare strategy which is a new differential strategy defined in this paper. Both factors are referred to by the combined fare strategy which is composed of distance-based and area-based fare strategies. The flat fare strategy is applied to determine a reference level of social welfare and obtain the general passenger flow along transit lines, which is used to divide areas or zones along the corridor. This problem is formulated as a bi-level program, of which the upper level maximizes the social welfare and the lower level capturing traveler choice behavior is a variable-demand stochastic user equilibrium assignment model. A genetic algorithm is applied to solve the bi-level program while the method of successive averages is adopted to solve the lower-level model. A series of numerical experiments are carried out to illustrate the performance of the models and solution methods. Numerical results indicate that all three differential fare strategies play a better role in enhancing the social welfare than the flat fare strategy and that the fare structure under the combined fare strategy generates the highest social welfare and the largest resulting passenger demand, which implies that the more equity factors a differential fare strategy involves the more desirable fare structure the strategy has.

The role of finite displacements in vocal fold modeling.

PubMed

Chang, Siyuan; Tian, Fang-Bao; Luo, Haoxiang; Doyle, James F; Rousseau, Bernard

2013-11-01

Human vocal folds experience flow-induced vibrations during phonation. In previous computational models, the vocal fold dynamics has been treated with linear elasticity theory in which both the strain and the displacement of the tissue are assumed to be infinitesimal (referred to as model I). The effect of the nonlinear strain, or geometric nonlinearity, caused by finite displacements is yet not clear. In this work, a two-dimensional model is used to study the effect of geometric nonlinearity (referred to as model II) on the vocal fold and the airflow. The result shows that even though the deformation is under 1 mm, i.e., less than 10% of the size of the vocal fold, the geometric nonlinear effect is still significant. Specifically, model I underpredicts the gap width, the flow rate, and the impact stress on the medial surfaces as compared to model II. The study further shows that the differences are caused by the contact mechanics and, more importantly, the fluid-structure interaction that magnifies the error from the small-displacement assumption. The results suggest that using the large-displacement formulation in a computational model would be more appropriate for accurate simulations of the vocal fold dynamics.

Hybrid approach to structure modeling of the histamine H3 receptor: Multi-level assessment as a tool for model verification.

PubMed

Jończyk, Jakub; Malawska, Barbara; Bajda, Marek

2017-01-01

The crucial role of G-protein coupled receptors and the significant achievements associated with a better understanding of the spatial structure of known receptors in this family encouraged us to undertake a study on the histamine H3 receptor, whose crystal structure is still unresolved. The latest literature data and availability of different software enabled us to build homology models of higher accuracy than previously published ones. The new models are expected to be closer to crystal structures; and therefore, they are much more helpful in the design of potential ligands. In this article, we describe the generation of homology models with the use of diverse tools and a hybrid assessment. Our study incorporates a hybrid assessment connecting knowledge-based scoring algorithms with a two-step ligand-based docking procedure. Knowledge-based scoring employs probability theory for global energy minimum determination based on information about native amino acid conformation from a dataset of experimentally determined protein structures. For a two-step docking procedure two programs were applied: GOLD was used in the first step and Glide in the second. Hybrid approaches offer advantages by combining various theoretical methods in one modeling algorithm. The biggest advantage of hybrid methods is their intrinsic ability to self-update and self-refine when additional structural data are acquired. Moreover, the diversity of computational methods and structural data used in hybrid approaches for structure prediction limit inaccuracies resulting from theoretical approximations or fuzziness of experimental data. The results of docking to the new H3 receptor model allowed us to analyze ligand-receptor interactions for reference compounds.

Automated de novo phasing and model building of coiled-coil proteins.

PubMed

Rämisch, Sebastian; Lizatović, Robert; André, Ingemar

2015-03-01

Models generated by de novo structure prediction can be very useful starting points for molecular replacement for systems where suitable structural homologues cannot be readily identified. Protein-protein complexes and de novo-designed proteins are examples of systems that can be challenging to phase. In this study, the potential of de novo models of protein complexes for use as starting points for molecular replacement is investigated. The approach is demonstrated using homomeric coiled-coil proteins, which are excellent model systems for oligomeric systems. Despite the stereotypical fold of coiled coils, initial phase estimation can be difficult and many structures have to be solved with experimental phasing. A method was developed for automatic structure determination of homomeric coiled coils from X-ray diffraction data. In a benchmark set of 24 coiled coils, ranging from dimers to pentamers with resolutions down to 2.5 Å, 22 systems were automatically solved, 11 of which had previously been solved by experimental phasing. The generated models contained 71-103% of the residues present in the deposited structures, had the correct sequence and had free R values that deviated on average by 0.01 from those of the respective reference structures. The electron-density maps were of sufficient quality that only minor manual editing was necessary to produce final structures. The method, named CCsolve, combines methods for de novo structure prediction, initial phase estimation and automated model building into one pipeline. CCsolve is robust against errors in the initial models and can readily be modified to make use of alternative crystallographic software. The results demonstrate the feasibility of de novo phasing of protein-protein complexes, an approach that could also be employed for other small systems beyond coiled coils.

Using a high-dimensional graph of semantic space to model relationships among words

PubMed Central

Jackson, Alice F.; Bolger, Donald J.

2014-01-01

The GOLD model (Graph Of Language Distribution) is a network model constructed based on co-occurrence in a large corpus of natural language that may be used to explore what information may be present in a graph-structured model of language, and what information may be extracted through theoretically-driven algorithms as well as standard graph analysis methods. The present study will employ GOLD to examine two types of relationship between words: semantic similarity and associative relatedness. Semantic similarity refers to the degree of overlap in meaning between words, while associative relatedness refers to the degree to which two words occur in the same schematic context. It is expected that a graph structured model of language constructed based on co-occurrence should easily capture associative relatedness, because this type of relationship is thought to be present directly in lexical co-occurrence. However, it is hypothesized that semantic similarity may be extracted from the intersection of the set of first-order connections, because two words that are semantically similar may occupy similar thematic or syntactic roles across contexts and thus would co-occur lexically with the same set of nodes. Two versions the GOLD model that differed in terms of the co-occurence window, bigGOLD at the paragraph level and smallGOLD at the adjacent word level, were directly compared to the performance of a well-established distributional model, Latent Semantic Analysis (LSA). The superior performance of the GOLD models (big and small) suggest that a single acquisition and storage mechanism, namely co-occurrence, can account for associative and conceptual relationships between words and is more psychologically plausible than models using singular value decomposition (SVD). PMID:24860525

Using a high-dimensional graph of semantic space to model relationships among words.

PubMed

Jackson, Alice F; Bolger, Donald J

2014-01-01

The GOLD model (Graph Of Language Distribution) is a network model constructed based on co-occurrence in a large corpus of natural language that may be used to explore what information may be present in a graph-structured model of language, and what information may be extracted through theoretically-driven algorithms as well as standard graph analysis methods. The present study will employ GOLD to examine two types of relationship between words: semantic similarity and associative relatedness. Semantic similarity refers to the degree of overlap in meaning between words, while associative relatedness refers to the degree to which two words occur in the same schematic context. It is expected that a graph structured model of language constructed based on co-occurrence should easily capture associative relatedness, because this type of relationship is thought to be present directly in lexical co-occurrence. However, it is hypothesized that semantic similarity may be extracted from the intersection of the set of first-order connections, because two words that are semantically similar may occupy similar thematic or syntactic roles across contexts and thus would co-occur lexically with the same set of nodes. Two versions the GOLD model that differed in terms of the co-occurence window, bigGOLD at the paragraph level and smallGOLD at the adjacent word level, were directly compared to the performance of a well-established distributional model, Latent Semantic Analysis (LSA). The superior performance of the GOLD models (big and small) suggest that a single acquisition and storage mechanism, namely co-occurrence, can account for associative and conceptual relationships between words and is more psychologically plausible than models using singular value decomposition (SVD).

Biological basis for space-variant sensor design I: parameters of monkey and human spatial vision

NASA Astrophysics Data System (ADS)

Rojer, Alan S.; Schwartz, Eric L.

1991-02-01

Biological sensor design has long provided inspiration for sensor design in machine vision. However relatively little attention has been paid to the actual design parameters provided by biological systems as opposed to the general nature of biological vision architectures. In the present paper we will provide a review of current knowledge of primate spatial vision design parameters and will present recent experimental and modeling work from our lab which demonstrates that a numerical conformal mapping which is a refinement of our previous complex logarithmic model provides the best current summary of this feature of the primate visual system. In this paper we will review recent work from our laboratory which has characterized some of the spatial architectures of the primate visual system. In particular we will review experimental and modeling studies which indicate that: . The global spatial architecture of primate visual cortex is well summarized by a numerical conformal mapping whose simplest analytic approximation is the complex logarithm function . The columnar sub-structure of primate visual cortex can be well summarized by a model based on a band-pass filtered white noise. We will also refer to ongoing work in our lab which demonstrates that: . The joint columnar/map structure of primate visual cortex can be modeled and summarized in terms of a new algorithm the ''''proto-column'''' algorithm. This work provides a reference-point for current engineering approaches to novel architectures for

Structures Division

NASA Technical Reports Server (NTRS)

1997-01-01

The NASA Lewis Research Center Structures Division is an international leader and pioneer in developing new structural analysis, life prediction, and failure analysis related to rotating machinery and more specifically to hot section components in air-breathing aircraft engines and spacecraft propulsion systems. The research consists of both deterministic and probabilistic methodology. Studies include, but are not limited to, high-cycle and low-cycle fatigue as well as material creep. Studies of structural failure are at both the micro- and macrolevels. Nondestructive evaluation methods related to structural reliability are developed, applied, and evaluated. Materials from which structural components are made, studied, and tested are monolithics and metal-matrix, polymer-matrix, and ceramic-matrix composites. Aeroelastic models are developed and used to determine the cyclic loading and life of fan and turbine blades. Life models are developed and tested for bearings, seals, and other mechanical components, such as magnetic suspensions. Results of these studies are published in NASA technical papers and reference publication as well as in technical society journal articles. The results of the work of the Structures Division and the bibliography of its publications for calendar year 1995 are presented.

Structures Division 1994 Annual Report

NASA Technical Reports Server (NTRS)

1996-01-01

The NASA Lewis Research Center Structures Division is an international leader and pioneer in developing new structural analysis, life prediction, and failure analysis related to rotating machinery and more specifically to hot section components in air-breathing aircraft engines and spacecraft propulsion systems. The research consists of both deterministic and probabilistic methodology. Studies include, but are not limited to, high-cycle and low-cycle fatigue as well as material creep. Studies of structural failure are at both the micro- and macrolevels. Nondestructive evaluation methods related to structural reliability are developed, applied, and evaluated. Materials from which structural components are made, studied, and tested are monolithics and metal-matrix, polymer-matrix, and ceramic-matrix composites. Aeroelastic models are developed and used to determine the cyclic loading and life of fan and turbine blades. Life models are developed and tested for bearings, seals, and other mechanical components, such as magnetic suspensions. Results of these studies are published in NASA technical papers and reference publication as well as in technical society journal articles. The results of the work of the Structures Division and the bibliography of its publications for calendar year 1994 are presented.

Plane stress problems using hysteretic rigid body spring network models

NASA Astrophysics Data System (ADS)

Christos, Sofianos D.; Vlasis, Koumousis K.

2017-10-01

In this work, a discrete numerical scheme is presented capable of modeling the hysteretic behavior of 2D structures. Rigid Body Spring Network (RBSN) models that were first proposed by Kawai (Nucl Eng Des 48(1):29-207, 1978) are extended to account for hysteretic elastoplastic behavior. Discretization is based on Voronoi tessellation, as proposed specifically for RBSN models to ensure uniformity. As a result, the structure is discretized into convex polygons that form the discrete rigid bodies of the model. These are connected with three zero length, i.e., single-node springs in the middle of their common facets. The springs follow the smooth hysteretic Bouc-Wen model which efficiently incorporates classical plasticity with no direct reference to a yield surface. Numerical results for both static and dynamic loadings are presented, which validate the proposed simplified spring-mass formulation. In addition, they verify the model's applicability on determining primarily the displacement field and plastic zones compared to the standard elastoplastic finite element method.

Variables influencing food perception reviewed for consumer-oriented product development.

PubMed

Sijtsema, Siet; Linnemann, Anita; van Gaasbeek, Ton; Dagevos, Hans; Jongen, Wim

2002-01-01

Consumer wishes have to be translated into product characteristics to implement consumer-oriented product development. Before this step can be made, insight in food-related behavior and perception of consumers is necessary to make the right, useful, and successful translation. Food choice behavior and consumers' perception are studied in many disciplines. Models of food behavior and preferences therefore were studied from a multidisciplinary perspective. Nearly all models structure the determinants related to the person, the food, and the environment. Consequently, the overview of models was used as a basis to structure the variables influencing food perception into a model for consumer-oriented product development. To this new model, referred to as food perception model, other variables like time and place as part of consumption moment were added. These are important variables influencing consumers' perception, and therefore of increasing importance to consumer-oriented product development nowadays. In further research, the presented food perception model is used as a tool to implement successful consumer-oriented product development.

The Langley Research Center CSI phase-0 evolutionary model testbed-design and experimental results

NASA Technical Reports Server (NTRS)

Belvin, W. K.; Horta, Lucas G.; Elliott, K. B.

1991-01-01

A testbed for the development of Controls Structures Interaction (CSI) technology is described. The design philosophy, capabilities, and early experimental results are presented to introduce some of the ongoing CSI research at NASA-Langley. The testbed, referred to as the Phase 0 version of the CSI Evolutionary model (CEM), is the first stage of model complexity designed to show the benefits of CSI technology and to identify weaknesses in current capabilities. Early closed loop test results have shown non-model based controllers can provide an order of magnitude increase in damping in the first few flexible vibration modes. Model based controllers for higher performance will need to be robust to model uncertainty as verified by System ID tests. Data are presented that show finite element model predictions of frequency differ from those obtained from tests. Plans are also presented for evolution of the CEM to study integrated controller and structure design as well as multiple payload dynamics.

Locus of Control and Sex Differences in Performance on an Instructional Task.

ERIC Educational Resources Information Center

Holloway, Richard L.; Robinson, Beatrice

1979-01-01

Used locus of control, ability, sex, task selection, task structure, and recall in a regression model to predict affective response to type of instruction of 104 high school seniors. Results showed a main effect for recall, and interaction effects for recall x sex and recall x ability. References are listed. (Author/JEG)

An Alternating Treatment Comparison of Minimal and Maximal Opposition Sound Selection in Turkish Phonological Disorders

ERIC Educational Resources Information Center

Topbas, Seyhun; Unal, Ozlem

2010-01-01

A single-subject alternating treatment design in combination with a staggered multiple baseline model across subjects was implemented with two 6:0 year-old girls, monozygotic twins, who were referred to a university clinic for evaluation and treatment. The treatment programme was structured according to variants of "minimal pair contrast…

76 FR 34650 - Models for a Governance Structure for the National Strategy for Trusted Identities in Cyberspace

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-14

... Identities in Cyberspace AGENCY: U.S. Department of Commerce, Office of the Secretary, and National Institute... National Strategy for Trusted Identities in Cyberspace (NSTIC or ``Strategy''). The Strategy refers to this... cyberspace to U.S. innovation, prosperity, education and political and cultural life, and the need for a...

Bimolecular dynamics by computer analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eilbeck, J.C.; Lomdahl, P.S.; Scott, A.C.

1984-01-01

As numerical tools (computers and display equipment) become more powerful and the atomic structures of important biological molecules become known, the importance of detailed computation of nonequilibrium biomolecular dynamics increases. In this manuscript we report results from a well developed study of the hydrogen bonded polypeptide crystal acetanilide, a model protein. Directions for future research are suggested. 9 references, 6 figures.

Parsing in a Dynamical System: An Attractor-Based Account of the Interaction of Lexical and Structural Constraints in Sentence Processing.

ERIC Educational Resources Information Center

Tabor, Whitney; And Others

1997-01-01

Proposes a dynamical systems approach to parsing in which syntactic hypotheses are associated with attractors in a metric space. The experiments discussed documented various contingent frequency effects that cut across traditional linguistic grains, each of which was predicted by the dynamical systems model. (47 references) (Author/CK)

Promoting Ecological Health Resilience for Minority Youth: Enhancing Health Care Access through the School Health Center.

ERIC Educational Resources Information Center

Clauss-Ehlers, Caroline C. C.

2003-01-01

Discusses the demographic realities of children of color in the U.S., with a focus on health care needs and access issues that have an enormous influence on health status. An ecologic model is presented that incorporates cultural values and community structures into the school health center. (Contains 50 references.) (GCP)

Defining an essence of structure determining residue contacts in proteins.

PubMed

Sathyapriya, R; Duarte, Jose M; Stehr, Henning; Filippis, Ioannis; Lappe, Michael

2009-12-01

The network of native non-covalent residue contacts determines the three-dimensional structure of a protein. However, not all contacts are of equal structural significance, and little knowledge exists about a minimal, yet sufficient, subset required to define the global features of a protein. Characterisation of this "structural essence" has remained elusive so far: no algorithmic strategy has been devised to-date that could outperform a random selection in terms of 3D reconstruction accuracy (measured as the Ca RMSD). It is not only of theoretical interest (i.e., for design of advanced statistical potentials) to identify the number and nature of essential native contacts-such a subset of spatial constraints is very useful in a number of novel experimental methods (like EPR) which rely heavily on constraint-based protein modelling. To derive accurate three-dimensional models from distance constraints, we implemented a reconstruction pipeline using distance geometry. We selected a test-set of 12 protein structures from the four major SCOP fold classes and performed our reconstruction analysis. As a reference set, series of random subsets (ranging from 10% to 90% of native contacts) are generated for each protein, and the reconstruction accuracy is computed for each subset. We have developed a rational strategy, termed "cone-peeling" that combines sequence features and network descriptors to select minimal subsets that outperform the reference sets. We present, for the first time, a rational strategy to derive a structural essence of residue contacts and provide an estimate of the size of this minimal subset. Our algorithm computes sparse subsets capable of determining the tertiary structure at approximately 4.8 A Ca RMSD with as little as 8% of the native contacts (Ca-Ca and Cb-Cb). At the same time, a randomly chosen subset of native contacts needs about twice as many contacts to reach the same level of accuracy. This "structural essence" opens new avenues in the fields of structure prediction, empirical potentials and docking.

Defining an Essence of Structure Determining Residue Contacts in Proteins

PubMed Central

Sathyapriya, R.; Duarte, Jose M.; Stehr, Henning; Filippis, Ioannis; Lappe, Michael

2009-01-01

The network of native non-covalent residue contacts determines the three-dimensional structure of a protein. However, not all contacts are of equal structural significance, and little knowledge exists about a minimal, yet sufficient, subset required to define the global features of a protein. Characterisation of this “structural essence” has remained elusive so far: no algorithmic strategy has been devised to-date that could outperform a random selection in terms of 3D reconstruction accuracy (measured as the Ca RMSD). It is not only of theoretical interest (i.e., for design of advanced statistical potentials) to identify the number and nature of essential native contacts—such a subset of spatial constraints is very useful in a number of novel experimental methods (like EPR) which rely heavily on constraint-based protein modelling. To derive accurate three-dimensional models from distance constraints, we implemented a reconstruction pipeline using distance geometry. We selected a test-set of 12 protein structures from the four major SCOP fold classes and performed our reconstruction analysis. As a reference set, series of random subsets (ranging from 10% to 90% of native contacts) are generated for each protein, and the reconstruction accuracy is computed for each subset. We have developed a rational strategy, termed “cone-peeling” that combines sequence features and network descriptors to select minimal subsets that outperform the reference sets. We present, for the first time, a rational strategy to derive a structural essence of residue contacts and provide an estimate of the size of this minimal subset. Our algorithm computes sparse subsets capable of determining the tertiary structure at approximately 4.8 Å Ca RMSD with as little as 8% of the native contacts (Ca-Ca and Cb-Cb). At the same time, a randomly chosen subset of native contacts needs about twice as many contacts to reach the same level of accuracy. This “structural essence” opens new avenues in the fields of structure prediction, empirical potentials and docking. PMID:19997489

A Validation Study of the Rank-Preserving Structural Failure Time Model: Confidence Intervals and Unique, Multiple, and Erroneous Solutions.

PubMed

Ouwens, Mario; Hauch, Ole; Franzén, Stefan

2018-05-01

The rank-preserving structural failure time model (RPSFTM) is used for health technology assessment submissions to adjust for switching patients from reference to investigational treatment in cancer trials. It uses counterfactual survival (survival when only reference treatment would have been used) and assumes that, at randomization, the counterfactual survival distribution for the investigational and reference arms is identical. Previous validation reports have assumed that patients in the investigational treatment arm stay on therapy throughout the study period. To evaluate the validity of the RPSFTM at various levels of crossover in situations in which patients are taken off the investigational drug in the investigational arm. The RPSFTM was applied to simulated datasets differing in percentage of patients switching, time of switching, underlying acceleration factor, and number of patients, using exponential distributions for the time on investigational and reference treatment. There were multiple scenarios in which two solutions were found: one corresponding to identical counterfactual distributions, and the other to two different crossing counterfactual distributions. The same was found for the hazard ratio (HR). Unique solutions were observed only when switching patients were on investigational treatment for <40% of the time that patients in the investigational arm were on treatment. Distributions other than exponential could have been used for time on treatment. An HR equal to 1 is a necessary but not always sufficient condition to indicate acceleration factors associated with equal counterfactual survival. Further assessment to distinguish crossing counterfactual curves from equal counterfactual curves is especially needed when the time that switchers stay on investigational treatment is relatively long compared to the time direct starters stay on investigational treatment.

Interdisciplinary analysis procedures in the modeling and control of large space-based structures

NASA Technical Reports Server (NTRS)

Cooper, Paul A.; Stockwell, Alan E.; Kim, Zeen C.

1987-01-01

The paper describes a computer software system called the Integrated Multidisciplinary Analysis Tool, IMAT, that has been developed at NASA Langley Research Center. IMAT provides researchers and analysts with an efficient capability to analyze satellite control systems influenced by structural dynamics. Using a menu-driven interactive executive program, IMAT links a relational database to commercial structural and controls analysis codes. The paper describes the procedures followed to analyze a complex satellite structure and control system. The codes used to accomplish the analysis are described, and an example is provided of an application of IMAT to the analysis of a reference space station subject to a rectangular pulse loading at its docking port.

A Component-Based Diffusion Model With Structural Diversity for Social Networks.

PubMed

Qing Bao; Cheung, William K; Yu Zhang; Jiming Liu

2017-04-01

Diffusion on social networks refers to the process where opinions are spread via the connected nodes. Given a set of observed information cascades, one can infer the underlying diffusion process for social network analysis. The independent cascade model (IC model) is a widely adopted diffusion model where a node is assumed to be activated independently by any one of its neighbors. In reality, how a node will be activated also depends on how its neighbors are connected and activated. For instance, the opinions from the neighbors of the same social group are often similar and thus redundant. In this paper, we extend the IC model by considering that: 1) the information coming from the connected neighbors are similar and 2) the underlying redundancy can be modeled using a dynamic structural diversity measure of the neighbors. Our proposed model assumes each node to be activated independently by different communities (or components) of its parent nodes, each weighted by its effective size. An expectation maximization algorithm is derived to infer the model parameters. We compare the performance of the proposed model with the basic IC model and its variants using both synthetic data sets and a real-world data set containing news stories and Web blogs. Our empirical results show that incorporating the community structure of neighbors and the structural diversity measure into the diffusion model significantly improves the accuracy of the model, at the expense of only a reasonable increase in run-time.

Hamiltonian derivation of the nonhydrostatic pressure-coordinate model

NASA Astrophysics Data System (ADS)

Salmon, Rick; Smith, Leslie M.

1994-07-01

In 1989, the Miller-Pearce (MP) model for nonhydrostatic fluid motion governed by equations written in pressure coordinates was extended by removing the prescribed reference temperature, T(sub s)(p), while retaining the conservation laws and other desirable properties. It was speculated that this extension of the MP model had a Hamiltonian structure and that a slick derivation of the Ertel property could be constructed if the relevant Hamiltonian were known. In this note, the extended equations are derived using Hamilton's principle. The potential vorticity law arises from the usual particle-relabeling symmetry of the Lagrangian, and even the absence of sound waves is anticipated from the fact that the pressure inside the free energy G(p, theta) in the derived equation is hydrostatic and thus G is insensitive to local pressure fluctuations. The model extension is analogous to the semigeostrophic equations for nearly geostrophic flow, which do not incorporate a prescribed reference state, while the earlier MP model is analogous to the quasigeostrophic equations, which become highly inaccurate when the flow wanders from a prescribed state with nearly flat isothermal surfaces.

BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures

NASA Astrophysics Data System (ADS)

Sarti, E.; Zamuner, S.; Cossio, P.; Laio, A.; Seno, F.; Trovato, A.

2013-12-01

In protein structure prediction it is of crucial importance, especially at the refinement stage, to score efficiently large sets of models by selecting the ones that are closest to the native state. We here present a new computational tool, BACHSCORE, that allows its users to rank different structural models of the same protein according to their quality, evaluated by using the BACH++ (Bayesian Analysis Conformation Hunt) scoring function. The original BACH statistical potential was already shown to discriminate with very good reliability the protein native state in large sets of misfolded models of the same protein. BACH++ features a novel upgrade in the solvation potential of the scoring function, now computed by adapting the LCPO (Linear Combination of Pairwise Orbitals) algorithm. This change further enhances the already good performance of the scoring function. BACHSCORE can be accessed directly through the web server: bachserver.pd.infn.it. Catalogue identifier: AEQD_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEQD_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 130159 No. of bytes in distributed program, including test data, etc.: 24 687 455 Distribution format: tar.gz Programming language: C++. Computer: Any computer capable of running an executable produced by a g++ compiler (4.6.3 version). Operating system: Linux, Unix OS-es. RAM: 1 073 741 824 bytes Classification: 3. Nature of problem: Evaluate the quality of a protein structural model, taking into account the possible “a priori” knowledge of a reference primary sequence that may be different from the amino-acid sequence of the model; the native protein structure should be recognized as the best model. Solution method: The contact potential scores the occurrence of any given type of residue pair in 5 possible contact classes (α-helical contact, parallel β-sheet contact, anti-parallel β-sheet contact, side-chain contact, no contact). The solvation potential scores the occurrence of any residue type in 2 possible environments: buried and solvent exposed. Residue environment is assigned by adapting the LCPO algorithm. Residues present in the reference primary sequence and not present in the model structure contribute to the model score as solvent exposed and as non contacting all other residues. Restrictions: Input format file according to the Protein Data Bank standard Additional comments: Parameter values used in the scoring function can be found in the file /folder-to-bachscore/BACH/examples/bach_std.par. Running time: Roughly one minute to score one hundred structures on a desktop PC, depending on their size.

Chemical-specific screening criteria for interpretation of biomonitoring data for volatile organic compounds (VOCs)--application of steady-state PBPK model solutions.

PubMed

Aylward, Lesa L; Kirman, Chris R; Blount, Ben C; Hays, Sean M

2010-10-01

The National Health and Nutrition Examination Survey (NHANES) generates population-representative biomonitoring data for many chemicals including volatile organic compounds (VOCs) in blood. However, no health or risk-based screening values are available to evaluate these data from a health safety perspective or to use in prioritizing among chemicals for possible risk management actions. We gathered existing risk assessment-based chronic exposure reference values such as reference doses (RfDs), reference concentrations (RfCs), tolerable daily intakes (TDIs), cancer slope factors, etc. and key pharmacokinetic model parameters for 47 VOCs. Using steady-state solutions to a generic physiologically-based pharmacokinetic (PBPK) model structure, we estimated chemical-specific steady-state venous blood concentrations across chemicals associated with unit oral and inhalation exposure rates and with chronic exposure at the identified exposure reference values. The geometric means of the slopes relating modeled steady-state blood concentrations to steady-state exposure to a unit oral dose or unit inhalation concentration among 38 compounds with available pharmacokinetic parameters were 12.0 microg/L per mg/kg-d (geometric standard deviation [GSD] of 3.2) and 3.2 microg/L per mg/m(3) (GSD=1.7), respectively. Chemical-specific blood concentration screening values based on non-cancer reference values for both oral and inhalation exposure range from 0.0005 to 100 microg/L; blood concentrations associated with cancer risk-specific doses at the 1E-05 risk level ranged from 5E-06 to 6E-02 microg/L. The distribution of modeled steady-state blood concentrations associated with unit exposure levels across VOCs may provide a basis for estimating blood concentration screening values for VOCs that lack chemical-specific pharmacokinetic data. The screening blood concentrations presented here provide a tool for risk assessment-based evaluation of population biomonitoring data for VOCs and are most appropriately applied to central tendency estimates for such datasets. Copyright (c) 2010 Elsevier Inc. All rights reserved.

Mars global reference atmosphere model (Mars-GRAM)

NASA Technical Reports Server (NTRS)

Justus, C. G.; James, Bonnie F.

1992-01-01

Mars-GRAM is an empirical model that parameterizes the temperature, pressure, density, and wind structure of the Martian atmosphere from the surface through thermospheric altitudes. In the lower atmosphere of Mars, the model is built around parameterizations of height, latitudinal, longitudinal, and seasonal variations of temperature determined from a survey of published measurements from the Mariner and Viking programs. Pressure and density are inferred from the temperature by making use of the hydrostatic and perfect gas laws relationships. For the upper atmosphere, the thermospheric model of Stewart is used. A hydrostatic interpolation routine is used to insure a smooth transition from the lower portion of the model to the Stewart thermospheric model. Other aspects of the model are discussed.

Dynamic Fuzzy Model Development for a Drum-type Boiler-turbine Plant Through GK Clustering

NASA Astrophysics Data System (ADS)

Habbi, Ahcène; Zelmat, Mimoun

2008-10-01

This paper discusses a TS fuzzy model identification method for an industrial drum-type boiler plant using the GK fuzzy clustering approach. The fuzzy model is constructed from a set of input-output data that covers a wide operating range of the physical plant. The reference data is generated using a complex first-principle-based mathematical model that describes the key dynamical properties of the boiler-turbine dynamics. The proposed fuzzy model is derived by means of fuzzy clustering method with particular attention on structure flexibility and model interpretability issues. This may provide a basement of a new way to design model based control and diagnosis mechanisms for the complex nonlinear plant.

Oscillatory interfacial instability between miscible fluids

NASA Astrophysics Data System (ADS)

Shevtsova, Valentina; Gaponenko, Yuri; Mialdun, Aliaksandr; Torregrosa, Marita; Yasnou, Viktar

Interfacial instabilities occurring between two fluids are of fundamental interest in fluid dynamics, biological systems and engineering applications such as liquid storage, solvent extraction, oil recovery and mixing. Horizontal vibrations applied to stratified layers of immiscible liquids may generate spatially periodic waving of the interface, stationary in the reference frame of the vibrated cell, referred to as a "frozen wave". We present experimental evidence that frozen wave instability exists between two ordinary miscible liquids of similar densities and viscosities. At the experiments and at the numerical model, two superimposed layers of ordinary liquids, water-alcohol of different concentrations, are placed in a closed cavity in a gravitationally stable configuration. The density and viscosity of these fluids are somewhat similar. Similar to the immiscible fluids this instability has a threshold. When the value of forcing is increased the amplitudes of perturbations grow continuously displaying a saw-tooth structure. The decrease of gravity drastically changes the structure of frozen waves.

Psychometric testing of the short version of the world health organization quality of life (WHOQOL-BREF) questionnaire among pulmonary tuberculosis patients in Taiwan

PubMed Central

2012-01-01

Background Studies on the effects of tuberculosis on a patient’s quality of life (QOL) are scant. The objective of this study was to evaluate the psychometric properties of the Taiwan short version of the World Health Organization Quality of Life (WHOQOL-BREF) questionnaire using patients with tuberculosis in Taiwan and healthy referents. Methods The Taiwanese short version of the WHOQOL-BREF was administered to patients with tuberculosis undergoing treatment and healthy referents from March 2007 to July 2007. Patients with tuberculosis (n = 140) and healthy referents (n = 130), matched by age, sex, and ethnicity, agreed to an interview. All participants lived in eastern Taiwan. Reliability assessments included internal consistency, whereas validity assessments included construct validity, convergent validity, and discriminant validity. Results More than half of these patients and referents were men (70.7% and 66.2%, respectively), and their average ages were 50.1 and 47.9 years, respectively. Approximately 60% of patients and referents were aboriginal Taiwanese (60.7% and 61.1%, respectively). The proportion with low socioeconomic status was greater for these patients. The internal consistency reliability coefficients were .92 and .93 for the patients and healthy referents, respectively. Exploratory factor analysis on the healthy referents displayed a 4-domain model, which was compatible with the original WHOQOL-BREF 4-domain model. However, for the TB patient group, after deleting 3 items, both exploratory and confirmatory factor analysis revealed a 6-domain model. Conclusion Psychometric evaluation of the Taiwan short version of the WHOQOL-BREF indicates that it has adequate reliability for use in research with TB patients in Taiwan. However, the factor structure generated from this TB patient sample differed from the WHO’s original 4-factor model, which raised a validity concern to apply the Taiwan short version of the WHOQOL-BREF to Taiwanese TB patients. Future research recruiting another sample to revisit this validity issue must be conducted to determine the validity of the WHOQOL-BREF TW in patients with TB. PMID:22877305

Molecular models of NS3 protease variants of the Hepatitis C virus.

PubMed

da Silveira, Nelson J F; Arcuri, Helen A; Bonalumi, Carlos E; de Souza, Fátima P; Mello, Isabel M V G C; Rahal, Paula; Pinho, João R R; de Azevedo, Walter F

2005-01-21

Hepatitis C virus (HCV) currently infects approximately three percent of the world population. In view of the lack of vaccines against HCV, there is an urgent need for an efficient treatment of the disease by an effective antiviral drug. Rational drug design has not been the primary way for discovering major therapeutics. Nevertheless, there are reports of success in the development of inhibitor using a structure-based approach. One of the possible targets for drug development against HCV is the NS3 protease variants. Based on the three-dimensional structure of these variants we expect to identify new NS3 protease inhibitors. In order to speed up the modeling process all NS3 protease variant models were generated in a Beowulf cluster. The potential of the structural bioinformatics for development of new antiviral drugs is discussed. The atomic coordinates of crystallographic structure 1CU1 and 1DY9 were used as starting model for modeling of the NS3 protease variant structures. The NS3 protease variant structures are composed of six subdomains, which occur in sequence along the polypeptide chain. The protease domain exhibits the dual beta-barrel fold that is common among members of the chymotrypsin serine protease family. The helicase domain contains two structurally related beta-alpha-beta subdomains and a third subdomain of seven helices and three short beta strands. The latter domain is usually referred to as the helicase alpha-helical subdomain. The rmsd value of bond lengths and bond angles, the average G-factor and Verify 3D values are presented for NS3 protease variant structures. This project increases the certainty that homology modeling is an useful tool in structural biology and that it can be very valuable in annotating genome sequence information and contributing to structural and functional genomics from virus. The structural models will be used to guide future efforts in the structure-based drug design of a new generation of NS3 protease variants inhibitors. All models in the database are publicly accessible via our interactive website, providing us with large amount of structural models for use in protein-ligand docking analysis.

Event boundaries and anaphoric reference.

PubMed

Thompson, Alexis N; Radvansky, Gabriel A

2016-06-01

The current study explored the finding that parsing a narrative into separate events impairs anaphor resolution. According to the Event Horizon Model, when a narrative event boundary is encountered, a new event model is created. Information associated with the prior event model is removed from working memory. So long as the event model containing the anaphor referent is currently being processed, this information should still be available when there is no narrative event boundary, even if reading has been disrupted by a working-memory-clearing distractor task. In those cases, readers may reactivate their prior event model, and anaphor resolution would not be affected. Alternatively, comprehension may not be as event oriented as this account suggests. Instead, any disruption of the contents of working memory during comprehension, event related or not, may be sufficient to disrupt anaphor resolution. In this case, reading comprehension would be more strongly guided by other, more basic language processing mechanisms and the event structure of the described events would play a more minor role. In the current experiments, participants were given stories to read in which we included, between the anaphor and its referent, either the presence of a narrative event boundary (Experiment 1) or a narrative event boundary along with a working-memory-clearing distractor task (Experiment 2). The results showed that anaphor resolution was affected by narrative event boundaries but not by a working-memory-clearing distractor task. This is interpreted as being consistent with the Event Horizon Model of event cognition.

Integrating nursing diagnostic concepts into the medical entities dictionary using the ISO Reference Terminology Model for Nursing Diagnosis.

PubMed

Hwang, Jee-In; Cimino, James J; Bakken, Suzanne

2003-01-01

The purposes of the study were (1) to evaluate the usefulness of the International Standards Organization (ISO) Reference Terminology Model for Nursing Diagnoses as a terminology model for defining nursing diagnostic concepts in the Medical Entities Dictionary (MED) and (2) to create the additional hierarchical structures required for integration of nursing diagnostic concepts into the MED. The authors dissected nursing diagnostic terms from two source terminologies (Home Health Care Classification and the Omaha System) into the semantic categories of the ISO model. Consistent with the ISO model, they selected Focus and Judgment as required semantic categories for creating intensional definitions of nursing diagnostic concepts in the MED. Because the MED does not include Focus and Judgment hierarchies, the authors developed them to define the nursing diagnostic concepts. The ISO model was sufficient for dissecting the source terminologies into atomic terms. The authors identified 162 unique focus concepts from the 266 nursing diagnosis terms for inclusion in the Focus hierarchy. For the Judgment hierarchy, the authors precoordinated Judgment and Potentiality instead of using Potentiality as a qualifier of Judgment as in the ISO model. Impairment and Alteration were the most frequently occurring judgments. Nursing care represents a large proportion of health care activities; thus, it is vital that terms used by nurses are integrated into concept-oriented terminologies that provide broad coverage for the domain of health care. This study supports the utility of the ISO Reference Terminology Model for Nursing Diagnoses as a facilitator for the integration process.

Integrating Nursing Diagnostic Concepts into the Medical Entities Dictionary Using the ISO Reference Terminology Model for Nursing Diagnosis

PubMed Central

Hwang, Jee-In; Cimino, James J.; Bakken, Suzanne

2003-01-01

Objective: The purposes of the study were (1) to evaluate the usefulness of the International Standards Organization (ISO) Reference Terminology Model for Nursing Diagnoses as a terminology model for defining nursing diagnostic concepts in the Medical Entities Dictionary (MED) and (2) to create the additional hierarchical structures required for integration of nursing diagnostic concepts into the MED. Design and Measurements: The authors dissected nursing diagnostic terms from two source terminologies (Home Health Care Classification and the Omaha System) into the semantic categories of the ISO model. Consistent with the ISO model, they selected Focus and Judgment as required semantic categories for creating intensional definitions of nursing diagnostic concepts in the MED. Because the MED does not include Focus and Judgment hierarchies, the authors developed them to define the nursing diagnostic concepts. Results: The ISO model was sufficient for dissecting the source terminologies into atomic terms. The authors identified 162 unique focus concepts from the 266 nursing diagnosis terms for inclusion in the Focus hierarchy. For the Judgment hierarchy, the authors precoordinated Judgment and Potentiality instead of using Potentiality as a qualifier of Judgment as in the ISO model. Impairment and Alteration were the most frequently occurring judgments. Conclusions: Nursing care represents a large proportion of health care activities; thus, it is vital that terms used by nurses are integrated into concept-oriented terminologies that provide broad coverage for the domain of health care. This study supports the utility of the ISO Reference Terminology Model for Nursing Diagnoses as a facilitator for the integration process. PMID:12668692

Dynamic response of underpasses for high-speed train lines

NASA Astrophysics Data System (ADS)

Vega, J.; Fraile, A.; Alarcon, E.; Hermanns, L.

2012-11-01

Underpasses are common in modern railway lines. Wildlife corridors and drainage conduits often fall into this category of partially buried structures. Their dynamic behavior has received far less attention than that of other structures such as bridges, but their large number makes their study an interesting challenge from the viewpoint of safety and cost savings. Here, we present a complete study of a culvert, including on-site measurements and numerical modeling. The studied structure belongs to the high-speed railway line linking Segovia and Valladolid in Spain. The line was opened to traffic in 2004. On-site measurements were performed for the structure by recording the dynamic response at selected points of the structure during the passage of high-speed trains at speeds ranging between 200 and 300 km/h. The measurements provide not only reference values suitable for model fitting, but also a good insight into the main features of the dynamic behavior of this structure. Finite element techniques were used to model the dynamic behavior of the structure and its key features. Special attention is paid to vertical accelerations, the values of which should be limited to avoid track instability according to Eurocode. This study furthers our understanding of the dynamic response of railway underpasses to train loads.

Advances in target imaging of deep Earth structure

NASA Astrophysics Data System (ADS)

Masson, Y.; Romanowicz, B. A.; Clouzet, P.

2015-12-01

A new generation of global tomographic models (Lekić and Romanowicz, 2011; French et al, 2013, 2014) has emerged with the development of accurate numerical wavefield computations in a 3D earth combined with access to enhanced HPC capabilities. These models have sharpened up mantle images and unveiled relatively small scale structures that were blurred out in previous generation models. Fingerlike structures have been found at the base of the oceanic asthenosphere, and vertically oriented broad low velocity plume conduits extend throughout the lower mantle beneath those major hotspots that are located within the perimeter of the deep mantle large low shear velocity provinces (LLSVPs). While providing new insights into our understanding of mantle dynamics, the detailed morphology of these features, requires further efforts to obtain higher resolution images. The focus of our ongoing effort is to develop advanced tomographic methods to image remote regions of the Earth at fine scales. We have developed an approach in which distant sources (located outside of the target region) are replaced by an equivalent set of local sources located at the border of the computational domain (Masson et al., 2014). A limited number of global simulations in a reference 3D earth model is then required. These simulations are computed prior to the regional inversion, while iterations of the model need to be performed only within the region of interest, potentially allowing us to include shorter periods at limited additional computational cost. Until now, the application was limited to a distribution of receivers inside the target region. This is particularly suitable for studies of upper mantle structure in regions with dense arrays (e.g. see our companion presentation Clouzet et al., this Fall AGU). Here we present our latest development that now can include teleseismic data recorded outside the imaged region. This allows us to perform regional waveform tomography in the situation where neither earthquakes nor seismological stations are present within the region of interest, such as would be desireable for the study of a region in the deep mantle. We present benchmark tests showing how the uncertainties in the reference 3D model employed outside of the target region affects the quality of the regional tomographic images obtained.

Detailed Post-Soft Impact Progressive Damage Assessment for Hybrid Structure Jet Engines

NASA Technical Reports Server (NTRS)

Siddens, Aaron; Bayandor, Javid; Celestina, Mark L.

2014-01-01

Currently, certification of engine designs for resistance to bird strike is reliant on physical tests. Predictive modeling of engine structural damage has mostly been limited to evaluation of individual forward section components, such as fan blades within a fixed frame of reference, to direct impact with a bird. Such models must be extended to include interactions among engine components under operating conditions to evaluate the full extent of engine damage. This paper presents the results of a study aim to develop a methodology for evaluating bird strike damage in advanced propulsion systems incorporating hybrid composite/metal structures. The initial degradation and failure of individual fan blades struck by a bird were investigated. Subsequent damage to other fan blades and engine components due to resultant violent fan assembly vibrations and fragmentation was further evaluated. Various modeling parameters for the bird and engine components were investigated to determine guidelines for accurately capturing initial damage and progressive failure of engine components. Then, a novel hybrid structure modeling approach was investigated and incorporated into the crashworthiness methodology. Such a tool is invaluable to the process of design, development, and certification of future advanced propulsion systems.

Infrared spectroscopic ellipsometry in semiconductor manufacturing

NASA Astrophysics Data System (ADS)

Guittet, Pierre-Yves; Mantz, Ulrich; Weidner, Peter; Stehle, Jean-Louis; Bucchia, Marc; Bourtault, Sophie; Zahorski, Dorian

2004-05-01

Infrared spectroscopic ellipsometry (IRSE) metrology is an emerging technology in semiconductor production environment. Infineon Technologies SC300 implemented the first worldwide automated IRSE in a class 1 clean room in 2002. Combining properties of IR light -- large wavelength, low absorption in silicon -- with a short focus optics -- no backside reflection -- which allow model-based analysis, a large number of production applications were developed. Part of Infineon IRSE development roadmap is now focused on depth monitoring for arrays of 3D dry-etched structures. In trench DRAM manufacturing, the areal density is high, and critical dimensions are much lower than mid-IR wavelength. Therefore, extensive use of effective medium theory is made to model 3D structures. IR-SE metrology is not limited by shrinking critical dimensions, as long as the areal density is above a specific cut-off value determined by trenches dimensions, trench-filling and surrounding materials. Two applications for depth monitoring are presented. 1D models were developed and successfully applied to the DRAM trench capacitor structures. Modeling and correlation to reference methods are shown as well as dynamic repeatability and gauge capability results. Limitations of the current tool configuration are reviewed for shallow structures.

Leveraging Structural Characteristics of Interdependent Networks to Model Non-linear Cascading Characteristics

DTIC Science & Technology

2015-06-29

17.476 237.18 17.5 237.2 91.64216359 6.752418 -20- References Asuncion, A., Welling, M., Smyth, P., & Teh , P. Y. ( 2009 ). On Smoothing and inference...networks of interdependent programs [Lewin 1999, Flowe et al., 2009 ]. Also, the acquisition paradigm established in statute 10 U.S.C. 2434, policy...results. Number of topics (k) for input data: Quality of results of modeling can be measured using a factor called perplexity (Asuncion et al. 2009

Care 3 model overview and user's guide, first revision

NASA Technical Reports Server (NTRS)

Bavuso, S. J.; Petersen, P. L.

1985-01-01

A manual was written to introduce the CARE III (Computer-Aided Reliability Estimation) capability to reliability and design engineers who are interested in predicting the reliability of highly reliable fault-tolerant systems. It was also structured to serve as a quick-look reference manual for more experienced users. The guide covers CARE III modeling and reliability predictions for execution in the CDC CYber 170 series computers, DEC VAX-11/700 series computer, and most machines that compile ANSI Standard FORTRAN 77.

Large-scale properties of the interplanetary magnetic field

NASA Technical Reports Server (NTRS)

Schatten, K. H.

1972-01-01

Early theoretical work of Parker is presented along with the observational evidence supporting his Archimedes spiral model. Variations present in the interplanetary magnetic field from the spiral angle are related to structures in the solar wind. The causes of these structures are found to be either nonuniform radial solar wind flow or the time evolution of the photospheric field. Coronal magnetic models are related to the connection between the solar magnetic field and the interplanetary magnetic field. Direct extension of the solar field-magnetic nozzle controversy is discussed along with the coronal magnetic models. Effects of active regions on the interplanetary magnetic field is discussed with particular reference to the evolution of interplanetary sectors. Interplanetary magnetic field magnitude variations are shown throughout the solar cycle. The percentage of time the field magnitude is greater than 10 gamma is shown to closely parallel sunspot number. The sun's polar field influence on the interplanetary field and alternative views of the magnetic field structure out of the ecliptic plane are presented. In addition, a variety of significantly different interplanetary field structures are discussed.

Prediction of Water Binding to Protein Hydration Sites with a Discrete, Semiexplicit Solvent Model.

PubMed

Setny, Piotr

2015-12-08

Buried water molecules are ubiquitous in protein structures and are found at the interface of most protein-ligand complexes. Determining their distribution and thermodynamic effect is a challenging yet important task, of great of practical value for the modeling of biomolecular structures and their interactions. In this study, we present a novel method aimed at the prediction of buried water molecules in protein structures and estimation of their binding free energies. It is based on a semiexplicit, discrete solvation model, which we previously introduced in the context of small molecule hydration. The method is applicable to all macromolecular structures described by a standard all-atom force field, and predicts complete solvent distribution within a single run with modest computational cost. We demonstrate that it indicates positions of buried hydration sites, including those filled by more than one water molecule, and accurately differentiates them from sterically accessible to water but void regions. The obtained estimates of water binding free energies are in fair agreement with reference results determined with the double decoupling method.

The minimalist grammar of action

PubMed Central

Pastra, Katerina; Aloimonos, Yiannis

2012-01-01

Language and action have been found to share a common neural basis and in particular a common ‘syntax’, an analogous hierarchical and compositional organization. While language structure analysis has led to the formulation of different grammatical formalisms and associated discriminative or generative computational models, the structure of action is still elusive and so are the related computational models. However, structuring action has important implications on action learning and generalization, in both human cognition research and computation. In this study, we present a biologically inspired generative grammar of action, which employs the structure-building operations and principles of Chomsky's Minimalist Programme as a reference model. In this grammar, action terminals combine hierarchically into temporal sequences of actions of increasing complexity; the actions are bound with the involved tools and affected objects and are governed by certain goals. We show, how the tool role and the affected-object role of an entity within an action drives the derivation of the action syntax in this grammar and controls recursion, merge and move, the latter being mechanisms that manifest themselves not only in human language, but in human action too. PMID:22106430

A Circular Dichroism Reference Database for Membrane Proteins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallace,B.; Wien, F.; Stone, T.

2006-01-01

Membrane proteins are a major product of most genomes and the target of a large number of current pharmaceuticals, yet little information exists on their structures because of the difficulty of crystallising them; hence for the most part they have been excluded from structural genomics programme targets. Furthermore, even methods such as circular dichroism (CD) spectroscopy which seek to define secondary structure have not been fully exploited because of technical limitations to their interpretation for membrane embedded proteins. Empirical analyses of circular dichroism (CD) spectra are valuable for providing information on secondary structures of proteins. However, the accuracy of themore » results depends on the appropriateness of the reference databases used in the analyses. Membrane proteins have different spectral characteristics than do soluble proteins as a result of the low dielectric constants of membrane bilayers relative to those of aqueous solutions (Chen & Wallace (1997) Biophys. Chem. 65:65-74). To date, no CD reference database exists exclusively for the analysis of membrane proteins, and hence empirical analyses based on current reference databases derived from soluble proteins are not adequate for accurate analyses of membrane protein secondary structures (Wallace et al (2003) Prot. Sci. 12:875-884). We have therefore created a new reference database of CD spectra of integral membrane proteins whose crystal structures have been determined. To date it contains more than 20 proteins, and spans the range of secondary structures from mostly helical to mostly sheet proteins. This reference database should enable more accurate secondary structure determinations of membrane embedded proteins and will become one of the reference database options in the CD calculation server DICHROWEB (Whitmore & Wallace (2004) NAR 32:W668-673).« less

Development of Non-Optimum Factors for Launch Vehicle Propellant Tank Bulkhead Weight Estimation

NASA Technical Reports Server (NTRS)

Wu, K. Chauncey; Wallace, Matthew L.; Cerro, Jeffrey A.

2012-01-01

Non-optimum factors are used during aerospace conceptual and preliminary design to account for the increased weights of as-built structures due to future manufacturing and design details. Use of higher-fidelity non-optimum factors in these early stages of vehicle design can result in more accurate predictions of a concept s actual weights and performance. To help achieve this objective, non-optimum factors are calculated for the aluminum-alloy gores that compose the ogive and ellipsoidal bulkheads of the Space Shuttle Super-Lightweight Tank propellant tanks. Minimum values for actual gore skin thicknesses and weld land dimensions are extracted from selected production drawings, and are used to predict reference gore weights. These actual skin thicknesses are also compared to skin thicknesses predicted using classical structural mechanics and tank proof-test pressures. Both coarse and refined weights models are developed for the gores. The coarse model is based on the proof pressure-sized skin thicknesses, and the refined model uses the actual gore skin thicknesses and design detail dimensions. To determine the gore non-optimum factors, these reference weights are then compared to flight hardware weights reported in a mass properties database. When manufacturing tolerance weight estimates are taken into account, the gore non-optimum factors computed using the coarse weights model range from 1.28 to 2.76, with an average non-optimum factor of 1.90. Application of the refined weights model yields non-optimum factors between 1.00 and 1.50, with an average non-optimum factor of 1.14. To demonstrate their use, these calculated non-optimum factors are used to predict heavier, more realistic gore weights for a proposed heavy-lift launch vehicle s propellant tank bulkheads. These results indicate that relatively simple models can be developed to better estimate the actual weights of large structures for future launch vehicles.

Study on safety level of RC beam bridges under earthquake

NASA Astrophysics Data System (ADS)

Zhao, Jun; Lin, Junqi; Liu, Jinlong; Li, Jia

2017-08-01

This study considers uncertainties in material strengths and the modeling which have important effects on structural resistance force based on reliability theory. After analyzing the destruction mechanism of a RC bridge, structural functions and the reliability were given, then the safety level of the piers of a reinforced concrete continuous girder bridge with stochastic structural parameters against earthquake was analyzed. Using response surface method to calculate the failure probabilities of bridge piers under high-level earthquake, their seismic reliability for different damage states within the design reference period were calculated applying two-stage design, which describes seismic safety level of the built bridges to some extent.

Configuration management and automatic control of an augmentor wing aircraft with vectored thrust

NASA Technical Reports Server (NTRS)

Cicolani, L. S.; Sridhar, B.; Meyer, G.

1979-01-01

An advanced structure for automatic flight control logic for powered-lift aircraft operating in terminal areas is under investigation at Ames Research Center. This structure is based on acceleration control; acceleration commands are constructed as the sum of acceleration on the reference trajectory and a corrective feedback acceleration to regulate path tracking errors. The central element of the structure, termed a Trimmap, uses a model of the aircraft aerodynamic and engine forces to calculate the control settings required to generate the acceleration commands. This report describes the design criteria for the Trimmap and derives a Trimmap for Ames experimental augmentor wing jet STOL research aircraft.

Ψ-model of micro- and macrosystems

NASA Astrophysics Data System (ADS)

Perepelkin, E. E.; Sadovnikov, B. I.; Inozemtseva, N. G.

2017-08-01

A mathematical model (referred as Ψ-model for convenience) has been developed, which allows describing certain class of micro- and macrosystems. Ψ-model is based on quantum mechanics and classical mechanics of continuous media. Ψ-model describes micro- and macrosystems, in which vector field of velocities of probability flows, charge, mass has specific spiral structure. The field of velocities has spiral structure on concentric spherical surfaces. The velocity field is not defined and has a characteristic property on the poles of sphere and on the axis and tends to zero at infinity. The behavior of Ψ-model can be described in the general case with time-dependent periodic singular solution of the Schrödinger equation. The goal of this paper is to choose a particular probability flux in the continuity equation which we solve in this paper and deduce from it the solution of the Schrödinger equation. For example, in the frame of approach the problem with modified Coulomb potential was considered.

Cloud Computing Value Chains: Understanding Businesses and Value Creation in the Cloud

NASA Astrophysics Data System (ADS)

Mohammed, Ashraf Bany; Altmann, Jörn; Hwang, Junseok

Based on the promising developments in Cloud Computing technologies in recent years, commercial computing resource services (e.g. Amazon EC2) or software-as-a-service offerings (e.g. Salesforce. com) came into existence. However, the relatively weak business exploitation, participation, and adoption of other Cloud Computing services remain the main challenges. The vague value structures seem to be hindering business adoption and the creation of sustainable business models around its technology. Using an extensive analyze of existing Cloud business models, Cloud services, stakeholder relations, market configurations and value structures, this Chapter develops a reference model for value chains in the Cloud. Although this model is theoretically based on porter's value chain theory, the proposed Cloud value chain model is upgraded to fit the diversity of business service scenarios in the Cloud computing markets. Using this model, different service scenarios are explained. Our findings suggest new services, business opportunities, and policy practices for realizing more adoption and value creation paths in the Cloud.

The development of a population of 4D pediatric XCAT phantoms for imaging research and optimization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Segars, W. P., E-mail: paul.segars@duke.edu; Norris, Hannah; Sturgeon, Gregory M.

Purpose: We previously developed a set of highly detailed 4D reference pediatric extended cardiac-torso (XCAT) phantoms at ages of newborn, 1, 5, 10, and 15 yr with organ and tissue masses matched to ICRP Publication 89 values. In this work, we extended this reference set to a series of 64 pediatric phantoms of varying age and height and body mass percentiles representative of the public at large. The models will provide a library of pediatric phantoms for optimizing pediatric imaging protocols. Methods: High resolution positron emission tomography-computed tomography data obtained from the Duke University database were reviewed by a practicingmore » experienced radiologist for anatomic regularity. The CT portion of the data was then segmented with manual and semiautomatic methods to form a target model defined using nonuniform rational B-spline surfaces. A multichannel large deformation diffeomorphic metric mapping algorithm was used to calculate the transform from the best age matching pediatric XCAT reference phantom to the patient target. The transform was used to complete the target, filling in the nonsegmented structures and defining models for the cardiac and respiratory motions. The complete phantoms, consisting of thousands of structures, were then manually inspected for anatomical accuracy. The mass for each major tissue was calculated and compared to linearly interpolated ICRP values for different ages. Results: Sixty four new pediatric phantoms were created in this manner. Each model contains the same level of detail as the original XCAT reference phantoms and also includes parameterized models for the cardiac and respiratory motions. For the phantoms that were 10 yr old and younger, we included both sets of reproductive organs. This gave them the capability to simulate both male and female anatomy. With this, the population can be expanded to 92. Wide anatomical variation was clearly seen amongst the phantom models, both in organ shape and size, even for models of the same age and sex. The phantoms can be combined with existing simulation packages to generate realistic pediatric imaging data from different modalities. Conclusions: This work provides a large cohort of highly detailed pediatric phantoms with 4D capabilities of varying age, height, and body mass. The population of phantoms will provide a vital tool with which to optimize 3D and 4D pediatric imaging devices and techniques in terms of image quality and radiation-absorbed dose.« less

Foundations for a multiscale collaborative Earth model

NASA Astrophysics Data System (ADS)

Afanasiev, Michael; Peter, Daniel; Sager, Korbinian; Simutė, Saulė; Ermert, Laura; Krischer, Lion; Fichtner, Andreas

2016-01-01

We present a computational framework for the assimilation of local to global seismic data into a consistent model describing Earth structure on all seismically accessible scales. This Collaborative Seismic Earth Model (CSEM) is designed to meet the following requirements: (i) Flexible geometric parametrization, capable of capturing topography and bathymetry, as well as all aspects of potentially resolvable structure, including small-scale heterogeneities and deformations of internal discontinuities. (ii) Independence of any particular wave equation solver, in order to enable the combination of inversion techniques suitable for different types of seismic data. (iii) Physical parametrization that allows for full anisotropy and for variations in attenuation and density. While not all of these parameters are always resolvable, the assimilation of data that constrain any parameter subset should be possible. (iv) Ability to accommodate successive refinements through the incorporation of updates on any scale as new data or inversion techniques become available. (v) Enable collaborative Earth model construction. The structure of the initial CSEM is represented on a variable-resolution tetrahedral mesh. It is assembled from a long-wavelength 3-D global model into which several regional-scale tomographies are embedded. We illustrate the CSEM workflow of successive updating with two examples from Japan and the Western Mediterranean, where we constrain smaller scale structure using full-waveform inversion. Furthermore, we demonstrate the ability of the CSEM to act as a vehicle for the combination of different tomographic techniques with a joint full-waveform and traveltime ray tomography of Europe. This combination broadens the exploitable frequency range of the individual techniques, thereby improving resolution. We perform two iterations of a whole-Earth full-waveform inversion using a long-period reference data set from 225 globally recorded earthquakes. At this early stage of the CSEM development, the broad global updates mostly act to remove artefacts from the assembly of the initial CSEM. During the future evolution of the CSEM, the reference data set will be used to account for the influence of small-scale refinements on large-scale global structure. The CSEM as a computational framework is intended to help bridging the gap between local, regional and global tomography, and to contribute to the development of a global multiscale Earth model. While the current construction serves as a first proof of concept, future refinements and additions will require community involvement, which is welcome at this stage already.

Geometrically nonlinear analysis of laminated elastic structures

NASA Technical Reports Server (NTRS)

Reddy, J. N.; Chandrashekhara, K.; Chao, W. C.

1993-01-01

This final technical report contains three parts: Part 1 deals with the 2-D shell theory and its element formulation and applications. Part 2 deals with the 3-D degenerated element. These two parts constitute the two major tasks that were completed under the grant. Another related topic that was initiated during the present investigation is the development of a nonlinear material model. This topic is briefly discussed in Part 3. To make each part self-contained, conclusions and references are included in each part. In the interest of brevity, the discussions presented are relatively brief. The details and additional topics are described in the references cited.

STAGS Example Problems Manual

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Rankin, Charles C.

2006-01-01

This document summarizes the STructural Analysis of General Shells (STAGS) development effort, STAGS performance for selected demonstration problems, and STAGS application problems illustrating selected advanced features available in the STAGS Version 5.0. Each problem is discussed including selected background information and reference solutions when available. The modeling and solution approach for each problem is described and illustrated. Numerical results are presented and compared with reference solutions, test data, and/or results obtained from mesh refinement studies. These solutions provide an indication of the overall capabilities of the STAGS nonlinear finite element analysis tool and provide users with representative cases, including input files, to explore these capabilities that may then be tailored to other applications.

Human factors. [in space colony environments

NASA Technical Reports Server (NTRS)

Billingham, J.

1977-01-01

Life aboard space habitats is considered with reference to physiological factors and self-government. Physiological concerns include the loss of bone structural strength, the long-term effects of zero-gravity, the role of inert gases in breathing, and the danger of slow cosmic-ray particles. With reference to the administration of space habitats, it is suggested that initially Intelsat might serve as a model for supranational sponsorship. Later it is envisioned that space habitats will have some autonomy but will still be subject to earth control; habitats will not wage war on earth or on each other; and that the habitats will be protected from any adverse developments that might occur on earth.

Application of firefly algorithm to the dynamic model updating problem

NASA Astrophysics Data System (ADS)

Shabbir, Faisal; Omenzetter, Piotr

2015-04-01

Model updating can be considered as a branch of optimization problems in which calibration of the finite element (FE) model is undertaken by comparing the modal properties of the actual structure with these of the FE predictions. The attainment of a global solution in a multi dimensional search space is a challenging problem. The nature-inspired algorithms have gained increasing attention in the previous decade for solving such complex optimization problems. This study applies the novel Firefly Algorithm (FA), a global optimization search technique, to a dynamic model updating problem. This is to the authors' best knowledge the first time FA is applied to model updating. The working of FA is inspired by the flashing characteristics of fireflies. Each firefly represents a randomly generated solution which is assigned brightness according to the value of the objective function. The physical structure under consideration is a full scale cable stayed pedestrian bridge with composite bridge deck. Data from dynamic testing of the bridge was used to correlate and update the initial model by using FA. The algorithm aimed at minimizing the difference between the natural frequencies and mode shapes of the structure. The performance of the algorithm is analyzed in finding the optimal solution in a multi dimensional search space. The paper concludes with an investigation of the efficacy of the algorithm in obtaining a reference finite element model which correctly represents the as-built original structure.

Linking process and structure in the friction stir scribe joining of dissimilar materials: A computational approach with experimental support

DOE PAGES

Gupta, Varun; Upadhyay, Piyush; Fifield, Leonard S.; ...

2018-04-04

We present that friction stir welding (FSW) is a popular technique to join dissimilar materials in numerous applications. The solid state nature of the process enables joining materials with strikingly different physical properties. For welds in lap configuration, an enhancement to this technology is made by introducing a short, hard insert, referred to as a cutting-scribe, at the bottom of the tool pin. The cutting-scribe induces deformation in the bottom plate which leads to the formation of mechanical interlocks or hook like structures at the interface of two materials. A thermo-mechanical computational model employing a coupled Eulerian-Lagrangian approach is developedmore » to quantitatively capture the morphology of these interlocks during the FSW process. Simulations using this model are validated by experimental observations. In conclusion, the identified interface morphology coupled with the predicted temperature field from this process–structure model can be used to estimate the post-weld microstructure and joint strength.« less

Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huš, Matej; Urbic, Tomaz, E-mail: tomaz.urbic@fkkt.uni-lj.si; Munaò, Gianmarco

Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl group, and a sphere with a core-softened potential as the hydroxyl group. Different closure approximations of the RISM theory are compared and discussed. The liquid structure of methanol is investigated by calculating site-site radial distribution functions and static structure factors for a wide range of temperatures and densities. Results obtained show a good agreement between RISM and Monte Carlo simulations.more » The phase behavior of methanol is investigated by employing different thermodynamic routes for the calculation of the RISM free energy, drawing gas-liquid coexistence curves that match the simulation data. Preliminary indications for a putative second critical point between two different liquid phases of methanol are also discussed.« less

Linking process and structure in the friction stir scribe joining of dissimilar materials: A computational approach with experimental support

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, Varun; Upadhyay, Piyush; Fifield, Leonard S.

The friction stir welding (FSW) is a popular technique to join dissimilar materials in numerous applications. The solid state nature of the process enables joining materials with strikingly different physical properties. For the welds in lap configuration, an enhancement to this technology is made by introducing a short hard insert, referred to as cutting-scribe, at the bottom of the tool pin. The cutting-scribe induces deformation in the bottom plate which leads to the formation of mechanical interlocks or hook like structures at the interface of two materials. A thermo-mechanically coupled computational model employing coupled Eulerian-Lagrangian approach is developed to quantitativelymore » capture the morphology of these interlocks during the FSW process. The simulations using developed model are validated by the experimental observations.The identified interface morphology coupled with the predicted temperature field from this process-structure model can then be used to estimate the post-weld microstructure and joint strength.« less

Linking process and structure in the friction stir scribe joining of dissimilar materials: A computational approach with experimental support

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, Varun; Upadhyay, Piyush; Fifield, Leonard S.

We present that friction stir welding (FSW) is a popular technique to join dissimilar materials in numerous applications. The solid state nature of the process enables joining materials with strikingly different physical properties. For welds in lap configuration, an enhancement to this technology is made by introducing a short, hard insert, referred to as a cutting-scribe, at the bottom of the tool pin. The cutting-scribe induces deformation in the bottom plate which leads to the formation of mechanical interlocks or hook like structures at the interface of two materials. A thermo-mechanical computational model employing a coupled Eulerian-Lagrangian approach is developedmore » to quantitatively capture the morphology of these interlocks during the FSW process. Simulations using this model are validated by experimental observations. In conclusion, the identified interface morphology coupled with the predicted temperature field from this process–structure model can be used to estimate the post-weld microstructure and joint strength.« less

An enhanced forest classification scheme for modeling vegetation-climate interactions based on national forest inventory data

NASA Astrophysics Data System (ADS)

Majasalmi, Titta; Eisner, Stephanie; Astrup, Rasmus; Fridman, Jonas; Bright, Ryan M.

2018-01-01

Forest management affects the distribution of tree species and the age class of a forest, shaping its overall structure and functioning and in turn the surface-atmosphere exchanges of mass, energy, and momentum. In order to attribute climate effects to anthropogenic activities like forest management, good accounts of forest structure are necessary. Here, using Fennoscandia as a case study, we make use of Fennoscandic National Forest Inventory (NFI) data to systematically classify forest cover into groups of similar aboveground forest structure. An enhanced forest classification scheme and related lookup table (LUT) of key forest structural attributes (i.e., maximum growing season leaf area index (LAImax), basal-area-weighted mean tree height, tree crown length, and total stem volume) was developed, and the classification was applied for multisource NFI (MS-NFI) maps from Norway, Sweden, and Finland. To provide a complete surface representation, our product was integrated with the European Space Agency Climate Change Initiative Land Cover (ESA CCI LC) map of present day land cover (v.2.0.7). Comparison of the ESA LC and our enhanced LC products (https://doi.org/10.21350/7zZEy5w3) showed that forest extent notably (κ = 0.55, accuracy 0.64) differed between the two products. To demonstrate the potential of our enhanced LC product to improve the description of the maximum growing season LAI (LAImax) of managed forests in Fennoscandia, we compared our LAImax map with reference LAImax maps created using the ESA LC product (and related cross-walking table) and PFT-dependent LAImax values used in three leading land models. Comparison of the LAImax maps showed that our product provides a spatially more realistic description of LAImax in managed Fennoscandian forests compared to reference maps. This study presents an approach to account for the transient nature of forest structural attributes due to human intervention in different land models.

Experimental flutter boundaries with unsteady pressure distributions for the NACA 0012 Benchmark Model

NASA Technical Reports Server (NTRS)

Rivera, Jose A., Jr.; Dansberry, Bryan E.; Farmer, Moses G.; Eckstrom, Clinton V.; Seidel, David A.; Bennett, Robert M.

1991-01-01

The Structural Dynamics Div. at NASA-Langley has started a wind tunnel activity referred to as the Benchmark Models Program. The objective is to acquire test data that will be useful for developing and evaluating aeroelastic type Computational Fluid Dynamics codes currently in use or under development. The progress is described which was achieved in testing the first model in the Benchmark Models Program. Experimental flutter boundaries are presented for a rigid semispan model (NACA 0012 airfoil section) mounted on a flexible mount system. Also, steady and unsteady pressure measurements taken at the flutter condition are presented. The pressure data were acquired over the entire model chord located at the 60 pct. span station.

CombAlign: a code for generating a one-to-many sequence alignment from a set of pairwise structure-based sequence alignments.

PubMed

Zhou, Carol L Ecale

2015-01-01

In order to better define regions of similarity among related protein structures, it is useful to identify the residue-residue correspondences among proteins. Few codes exist for constructing a one-to-many multiple sequence alignment derived from a set of structure or sequence alignments, and a need was evident for creating such a tool for combining pairwise structure alignments that would allow for insertion of gaps in the reference structure. This report describes a new Python code, CombAlign, which takes as input a set of pairwise sequence alignments (which may be structure based) and generates a one-to-many, gapped, multiple structure- or sequence-based sequence alignment (MSSA). The use and utility of CombAlign was demonstrated by generating gapped MSSAs using sets of pairwise structure-based sequence alignments between structure models of the matrix protein (VP40) and pre-small/secreted glycoprotein (sGP) of Reston Ebolavirus and the corresponding proteins of several other filoviruses. The gapped MSSAs revealed structure-based residue-residue correspondences, which enabled identification of structurally similar versus differing regions in the Reston proteins compared to each of the other corresponding proteins. CombAlign is a new Python code that generates a one-to-many, gapped, multiple structure- or sequence-based sequence alignment (MSSA) given a set of pairwise sequence alignments (which may be structure based). CombAlign has utility in assisting the user in distinguishing structurally conserved versus divergent regions on a reference protein structure relative to other closely related proteins. CombAlign was developed in Python 2.6, and the source code is available for download from the GitHub code repository.

A brief overview of computational structures technology related activities at NASA Lewis Research Center

NASA Technical Reports Server (NTRS)

Hopkins, Dale A.

1992-01-01

The presentation gives a partial overview of research and development underway in the Structures Division of LeRC, which collectively is referred to as the Computational Structures Technology Program. The activities in the program are diverse and encompass four major categories: (1) composite materials and structures; (2) probabilistic analysis and reliability; (3) design optimization and expert systems; and (4) computational methods and simulation. The approach of the program is comprehensive and entails exploration of fundamental theories of structural mechanics to accurately represent the complex physics governing engine structural performance, formulation, and implementation of computational techniques and integrated simulation strategies to provide accurate and efficient solutions of the governing theoretical models by exploiting the emerging advances in computer technology, and validation and verification through numerical and experimental tests to establish confidence and define the qualities and limitations of the resulting theoretical models and computational solutions. The program comprises both in-house and sponsored research activities. The remainder of the presentation provides a sample of activities to illustrate the breadth and depth of the program and to demonstrate the accomplishments and benefits that have resulted.

Rapid iterative reanalysis for automated design

NASA Technical Reports Server (NTRS)

Bhatia, K. G.

1973-01-01

A method for iterative reanalysis in automated structural design is presented for a finite-element analysis using the direct stiffness approach. A basic feature of the method is that the generalized stiffness and inertia matrices are expressed as functions of structural design parameters, and these generalized matrices are expanded in Taylor series about the initial design. Only the linear terms are retained in the expansions. The method is approximate because it uses static condensation, modal reduction, and the linear Taylor series expansions. The exact linear representation of the expansions of the generalized matrices is also described and a basis for the present method is established. Results of applications of the present method to the recalculation of the natural frequencies of two simple platelike structural models are presented and compared with results obtained by using a commonly applied analysis procedure used as a reference. In general, the results are in good agreement. A comparison of the computer times required for the use of the present method and the reference method indicated that the present method required substantially less time for reanalysis. Although the results presented are for relatively small-order problems, the present method will become more efficient relative to the reference method as the problem size increases. An extension of the present method to static reanalysis is described, ana a basis for unifying the static and dynamic reanalysis procedures is presented.

Numeric and symbolic knowledge representation of cerebral cortex anatomy: methods and preliminary results.

PubMed

Dameron, O; Gibaud, B; Morandi, X

2004-06-01

The human cerebral cortex anatomy describes the brain organization at the scale of gyri and sulci. It is used as landmarks for neurosurgery as well as localization support for functional data analysis or inter-subject data comparison. Existing models of the cortex anatomy either rely on image labeling but fail to represent variability and structural properties or rely on a conceptual model but miss the inner 3D nature and relations of anatomical structures. This study was therefore conducted to propose a model of sulco-gyral anatomy for the healthy human brain. We hypothesized that both numeric knowledge (i.e., image-based) and symbolic knowledge (i.e., concept-based) have to be represented and coordinated. In addition, the representation of this knowledge should be application-independent in order to be usable in various contexts. Therefore, we devised a symbolic model describing specialization, composition and spatial organization of cortical anatomical structures. We also collected numeric knowledge such as 3D models of shape and shape variation about cortical anatomical structures. For each numeric piece of knowledge, a companion file describes the concept it refers to and the nature of the relationship. Demonstration software performs a mapping between the numeric and the symbolic aspects for browsing the knowledge base.

Parametric representation of weld fillets using shell finite elements—a proposal based on minimum stiffness and inertia errors

NASA Astrophysics Data System (ADS)

Echer, L.; Marczak, R. J.

2018-02-01

The objective of the present work is to introduce a methodology capable of modelling welded components for structural stress analysis. The modelling technique was based on the recommendations of the International Institute of Welding; however, some geometrical features of the weld fillet were used as design parameters in an optimization problem. Namely, the weld leg length and thickness of the shell elements representing the weld fillet were optimized in such a way that the first natural frequencies were not changed significantly when compared to a reference result. Sequential linear programming was performed for T-joint structures corresponding to two different structural details: with and without full penetration weld fillets. Both structural details were tested in scenarios of various plate thicknesses and depths. Once the optimal parameters were found, a modelling procedure was proposed for T-shaped components. Furthermore, the proposed modelling technique was extended for overlapped welded joints. The results obtained were compared to well-established methodologies presented in standards and in the literature. The comparisons included results for natural frequencies, total mass and structural stress. By these comparisons, it was observed that some established practices produce significant errors in the overall stiffness and inertia. The methodology proposed herein does not share this issue and can be easily extended to other types of structure.

1D minimum p-velocity model of the Kamchatka subducting zone

NASA Astrophysics Data System (ADS)

Nizkous, I.; Sanina, I.; Gontovaya, L.

2003-04-01

Kamchatka peninsula is a very active seismic zone. The old Pacific plate subducts below the North American Plate and this causes high seismic and volcanic activity in this region. The extensive Kamchatka Regional Seismic Network (KRSN) has operated since 1962 and registers around 600 earthquakes per year. This provides a large number of high quality seismic data. In this work we are investigate P-velocity structure of the Kamchatka peninsula and subducting zone in Western Pacific. This region is well studied, but we would like to try a little bit different approach. We would like to present 1D minimum P-velocity model of the Kamchatka region created using VELEST program [3]. Data set based on 84 well-located earthquakes (IP, EP, IS and ES phases) recorded by KRSN in 1998 and in 1999. As the initial model Kuzin's model have been taken [1]. But in our calculations we split model into 17 layers instead of initial 5. Maximal investigated depth is 120 km. Using VELEST simultaneous mode we solve coupled hypocenter-velocity model problem for local earthquakes. In this case it is very important to utilize well locatable events for the sake of minimizing a priori added uncertainties. And this is major point of the approach. We apply this idea and the result is looks like the result obtained by A. Gorbatov et. al. [2] Using this 1D minimum model we redefine earthquakes hypocenter parameters and recalculate p-wave travel time residuals. This work is the first step in 3D modeling of the Kamchatka subducting zone. References: 1. I.P Kuzin. 'Focal zone and upper mantle structure of the East Kamchatka region', Moscow, Nauka, 1974. 2. A. Gorbatov, J. Domingues, G.Suarez, V.kostoglodov, D.Zhao, and E. Gordeev, 'Tomographic imaging of the P-wave velocity structure beneath the Kamchatka peninsula', Geophys. J. Int, 1999, 137, 269-279. 3. Kissling, E., W.L. Ellsworth, D. Eberhart-Phillips, and U. Kradolfer: Initial reference models in local earthquake tomography, J. Geophys. Res., 99, 19635-19646, 1994.

Philosophy and Sociology of Science Evolution and History

NASA Astrophysics Data System (ADS)

Rosen, Joe

The following sections are included: * Concrete Versus Abstract Theoretical Models * Introduction: concrete and abstract in kepler's contribution * Einstein's theory of gravitation and mach's principle * Unitary symmetry and the structure of hadrons * Conclusion * Dedication * Symmetry, Entropy and Complexity * Introduction * Symmetry Implies Abstraction and Loss of Information * Broken Symmetries - Imposed or Spontaneous * Symmetry, Order and Information * References * Cosmological Surrealism: More Than "Eternal Reality" Is Needed * Pythagoreanism in atomic, nuclear and particle physics * Introduction: Pythagoreanism as part of the Greek scientific world view — and the three questions I will tackle * Point 1: the impact of Gersonides and Crescas, two scientific anti-Aristotelian rebels * Point 2: Kepler's spheres to Bohr's orbits — Pythagoreanisms at last! * Point 3: Aristotle to Maupertuis, Emmy Noether, Schwinger * References * Paradigm Completion For Generalized Evolutionary Theory With Application To Epistemology * Evolution Fully Generalized * Entropy: Gravity as Model * Evolution and Entropy: Measures of Complexity * Extinctions and a Balanced Evolutionary Paradigm * The Evolution of Human Society - the Age of Information as example * High-Energy Physics and the World Wide Web * Twentieth Century Epistemology has Strong (de facto) Evolutionary Elements * The discoveries towards the beginning of the XXth Century * Summary and Conclusions * References * Evolutionary Epistemology and Invalidation * Introduction * Extinctions and A New Evolutionary Paradigm * Evolutionary Epistemology - Active Mutations * Evolutionary Epistemology: Invalidation as An Extinction * References

Modelling the seismic properties of fast-spreading ridge crustal Low-Velocity Zones: insights from Oman gabbro textures

NASA Astrophysics Data System (ADS)

Lamoureux, Gwenaëlle; Ildefonse, Benoı̂t; Mainprice, David

1999-11-01

Although considerable progress has been made in the study of fast-spreading, mid-ocean ridge magma chambers over the past fifteen years, the fraction of melt present in the chamber remains poorly constrained and controversial. We present new constraints obtained by modelling the seismic properties of partially molten gabbros at the ridge axis. P-wave velocities at low frequencies are calculated in the foliation/lineation reference frame using a differential effective medium technique. The model takes into account the lattice preferred orientation of the crystalline phase and the average shape of the melt phase. The structural parameters are obtained from the Oman ophiolite. The structural reference frame is given by the general trend of the gabbro foliation and the melt fraction and shape are estimated using the textures of nine upper gabbro samples. The estimated melt fraction and shape depend on the assumptions regarding which part of the observed textures represent the melt in the gabbroic mush of the magma chamber. However, we can put limits on the reasonable values for the melt fraction and shape. Our results are consistent with a melt fraction of the order of 10 to 20% in the Low-Velocity Zone (i.e. the magma chamber), which is anisotropically distributed with the melt pockets preferentially aligned parallel to the foliation and approximated by oblate ellipsoids with approximate dimensions of 4 : 4 : 1. These results are also consistent with the seismic structure of the East Pacific rise at 9°30'. The anisotropic melt distribution can, at least partially, explain the vertical velocity gradient described in the LVZ.

Requirements for data integration platforms in biomedical research networks: a reference model.

PubMed

Ganzinger, Matthias; Knaup, Petra

2015-01-01

Biomedical research networks need to integrate research data among their members and with external partners. To support such data sharing activities, an adequate information technology infrastructure is necessary. To facilitate the establishment of such an infrastructure, we developed a reference model for the requirements. The reference model consists of five reference goals and 15 reference requirements. Using the Unified Modeling Language, the goals and requirements are set into relation to each other. In addition, all goals and requirements are described textually in tables. This reference model can be used by research networks as a basis for a resource efficient acquisition of their project specific requirements. Furthermore, a concrete instance of the reference model is described for a research network on liver cancer. The reference model is transferred into a requirements model of the specific network. Based on this concrete requirements model, a service-oriented information technology architecture is derived and also described in this paper.

Deep transcriptome sequencing provides new insights into the structural and functional organization of the wheat genome.

PubMed

Pingault, Lise; Choulet, Frédéric; Alberti, Adriana; Glover, Natasha; Wincker, Patrick; Feuillet, Catherine; Paux, Etienne

2015-02-10

Because of its size, allohexaploid nature, and high repeat content, the bread wheat genome is a good model to study the impact of the genome structure on gene organization, function, and regulation. However, because of the lack of a reference genome sequence, such studies have long been hampered and our knowledge of the wheat gene space is still limited. The access to the reference sequence of the wheat chromosome 3B provided us with an opportunity to study the wheat transcriptome and its relationships to genome and gene structure at a level that has never been reached before. By combining this sequence with RNA-seq data, we construct a fine transcriptome map of the chromosome 3B. More than 8,800 transcription sites are identified, that are distributed throughout the entire chromosome. Expression level, expression breadth, alternative splicing as well as several structural features of genes, including transcript length, number of exons, and cumulative intron length are investigated. Our analysis reveals a non-monotonic relationship between gene expression and structure and leads to the hypothesis that gene structure is determined by its function, whereas gene expression is subject to energetic cost. Moreover, we observe a recombination-based partitioning at the gene structure and function level. Our analysis provides new insights into the relationships between gene and genome structure and function. It reveals mechanisms conserved with other plant species as well as superimposed evolutionary forces that shaped the wheat gene space, likely participating in wheat adaptation.

The future of structural fieldwork - UAV assisted aerial photogrammetry

NASA Astrophysics Data System (ADS)

Vollgger, Stefan; Cruden, Alexander

2015-04-01

Unmanned aerial vehicles (UAVs), commonly referred to as drones, are opening new and low cost possibilities to acquire high-resolution aerial images and digital surface models (DSM) for applications in structural geology. UAVs can be programmed to fly autonomously along a user defined grid to systematically capture high-resolution photographs, even in difficult to access areas. The photographs are subsequently processed using software that employ SIFT (scale invariant feature transform) and SFM (structure from motion) algorithms. These photogrammetric routines allow the extraction of spatial information (3D point clouds, digital elevation models, 3D meshes, orthophotos) from 2D images. Depending on flight altitude and camera setup, sub-centimeter spatial resolutions can be achieved. By "digitally mapping" georeferenced 3D models and images, orientation data can be extracted directly and used to analyse the structural framework of the mapped object or area. We present UAV assisted aerial mapping results from a coastal platform near Cape Liptrap (Victoria, Australia), where deformed metasediments of the Palaeozoic Lachlan Fold Belt are exposed. We also show how orientation and spatial information of brittle and ductile structures extracted from the photogrammetric model can be linked to the progressive development of folds and faults in the region. Even though there are both technical and legislative limitations, which might prohibit the use of UAVs without prior commercial licensing and training, the benefits that arise from the resulting high-resolution, photorealistic models can substantially contribute to the collection of new data and insights for applications in structural geology.

Wind noise spectra in small Reynolds number turbulent flows.

PubMed

Zhao, Sipei; Cheng, Eva; Qiu, Xiaojun; Burnett, Ian; Liu, Jacob Chia-Chun

2017-11-01

Wind noise spectra caused by wind from fans in indoor environments have been found to be different from those measured in outdoor atmospheric conditions. Although many models have been developed to predict outdoor wind noise spectra under the assumption of large Reynolds number [Zhao, Cheng, Qiu, Burnett, and Liu (2016). J. Acoust. Soc. Am. 140, 4178-4182, and the references therein], they cannot be applied directly to the indoor situations because the Reynolds number of wind from fans in indoor environments is usually much smaller than that experienced in atmospheric turbulence. This paper proposes a pressure structure function model that combines the energy-containing and dissipation ranges so that the pressure spectrum for small Reynolds number turbulent flows can be calculated. The proposed pressure structure function model is validated with the experimental results in the literature, and then the obtained pressure spectrum is verified with the numerical simulation and experiment results. It is demonstrated that the pressure spectrum obtained from the proposed pressure structure function model can be utilized to estimate wind noise spectra caused by turbulent flows with small Reynolds numbers.

Influence of structural parameters of deep groove ball bearings on vibration

NASA Astrophysics Data System (ADS)

Yu, Guangwei; Wu, Rui; Xia, Wei

2018-04-01

Taking 6201 bearing as the research object, a dynamic model of 4 degrees of freedom is established to solve the vibration characteristics such as the displacement, velocity and acceleration of deep groove ball bearings by MATLAB and Runge-Kutta method. By calculating the theoretical value of the frequency of the rolling element passing through the outer ring and the simulation value of the model, it can be known that the theoretical calculation value and the simulation value have good consistency. By the experiments, the measured values and simulation values are consistent. Using the mathematical model, the effect of structural parameters on vibration is obtained. The method in the paper is testified to be feasible and the results can be used as references for the design, manufacturing and testing of deep groove ball bearings.

The 2006 Cape Canaveral Air Force Station Range Reference Atmosphere Model Validation Study and Sensitivity Analysis to the National Aeronautics and Space Administration's Space Shuttle

NASA Technical Reports Server (NTRS)

Decker, Ryan K.; Burns, Lee; Merry, Carl; Harrington, Brian

2008-01-01

Atmospheric parameters are essential in assessing the flight performance of aerospace vehicles. The effects of the Earth's atmosphere on aerospace vehicles influence various aspects of the vehicle during ascent ranging from its flight trajectory to the structural dynamics and aerodynamic heatmg on the vehicle. Atmospheric databases charactenzing the wind and thermodynamic environments, known as Range Reference Atmospheres (RRA), have been developed at space launch ranges by a governmental interagency working group for use by aerospace vehicle programs. The National Aeronantics and Space Administration's (NASA) Space Shuttle Program (SSP), which launches from Kennedy Space Center, utilizes atmosphenc statistics derived from the Cape Canaveral Air Force Station Range Reference Atmosphere (CCAFS RRA) database to evaluate environmental constraints on various aspects of the vehlcle during ascent.

New cytotoxic benzosuberene analogs. Synthesis, molecular modeling and biological evaluation.

PubMed

Chen, Zecheng; Maderna, Andreas; Sukuru, Sai Chetan K; Wagenaar, Melissa; O'Donnell, Christopher J; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank

2013-12-15

In this Letter we describe the synthesis and biological evaluation of new benzosuberene analogs with structural modifications on the B-ring. The focus was initially to probe the chemical space around the B-ring C-8 position. This position was readily available for derivatization chemistry using our recently developed new synthesis for this compound class. Furthermore, we describe two new B-ring analogs, one containing a diene and the other a cyclic ether group. Both new analogs show excellent potencies in tumor cell proliferation assays. In addition, we describe molecular modeling studies that provide a binding rationale for reference compound 8 in the colchicine binding site using the known colchicine crystal structure. We also examine whether the cell based potency data obtained with selected new analogs are supported by modeling results. Copyright © 2013 Elsevier Ltd. All rights reserved.

Comparing Treatment Policies with Assistance from the Structural Nested Mean Model

PubMed Central

Lu, Xi; Lynch, Kevin G.; Oslin, David W.; Murphy, Susan

2015-01-01

Summary Treatment policies, also known as dynamic treatment regimes, are sequences of decision rules that link the observed patient history with treatment recommendations. Multiple, plausible, treatment policies are frequently constructed by researchers using expert opinion, theories and reviews of the literature. Often these different policies represent competing approaches to managing an illness. Here we develop an “assisted estimator” that can be used to compare the mean outcome of competing treatment policies. The term “assisted” refers to the fact estimators from the Structural Nested Mean Model, a parametric model for the causal effect of treatment at each time point, are used in the process of estimating the mean outcome. This work is motivated by our work on comparing the mean outcome of two competing treatment policies using data from the ExTENd study in alcohol dependence. PMID:26363892

An accurate nonlinear finite element analysis and test correlation of a stiffened composite wing panel

NASA Astrophysics Data System (ADS)

Davis, D. D., Jr.; Krishnamurthy, T.; Stroud, W. J.; McCleary, S. L.

1991-05-01

State-of-the-art nonlinear finite element analysis techniques are evaluated by applying them to a realistic aircraft structural component. A wing panel from the V-22 tiltrotor aircraft is chosen because it is a typical modern aircraft structural component for which there is experimental data for comparison of results. From blueprints and drawings, a very detailed finite element model containing 2284 9-node Assumed Natural-Coordinate Strain elements was generated. A novel solution strategy which accounts for geometric nonlinearity through the use of corotating element reference frames and nonlinear strain-displacement relations is used to analyze this detailed model. Results from linear analyses using the same finite element model are presented in order to illustrate the advantages and costs of the nonlinear analysis as compared with the more traditional linear analysis.

An accurate nonlinear finite element analysis and test correlation of a stiffened composite wing panel

NASA Technical Reports Server (NTRS)

Davis, D. D., Jr.; Krishnamurthy, T.; Stroud, W. J.; Mccleary, S. L.

1991-01-01

State-of-the-art nonlinear finite element analysis techniques are evaluated by applying them to a realistic aircraft structural component. A wing panel from the V-22 tiltrotor aircraft is chosen because it is a typical modern aircraft structural component for which there is experimental data for comparison of results. From blueprints and drawings, a very detailed finite element model containing 2284 9-node Assumed Natural-Coordinate Strain elements was generated. A novel solution strategy which accounts for geometric nonlinearity through the use of corotating element reference frames and nonlinear strain-displacement relations is used to analyze this detailed model. Results from linear analyses using the same finite element model are presented in order to illustrate the advantages and costs of the nonlinear analysis as compared with the more traditional linear analysis.

Process Modelling of Curing Process-Induced Internal Stress and Deformation of Composite Laminate Structure with Elastic and Viscoelastic Models

NASA Astrophysics Data System (ADS)

Li, Dongna; Li, Xudong; Dai, Jianfeng

2018-06-01

In this paper, two kinds of transient models, the viscoelastic model and the linear elastic model, are established to analyze the curing deformation of the thermosetting resin composites, and are calculated by COMSOL Multiphysics software. The two models consider the complicated coupling between physical and chemical changes during curing process of the composites and the time-variant characteristic of material performance parameters. Subsequently, the two proposed models are implemented respectively in a three-dimensional composite laminate structure, and a simple and convenient method of local coordinate system is used to calculate the development of residual stresses, curing shrinkage and curing deformation for the composite laminate. Researches show that the temperature, degree of curing (DOC) and residual stresses during curing process are consistent with the study in literature, so the curing shrinkage and curing deformation obtained on these basis have a certain referential value. Compared the differences between the two numerical results, it indicates that the residual stress and deformation calculated by the viscoelastic model are more close to the reference value than the linear elastic model.

A Structured Approach for Reviewing Architecture Documentation

DTIC Science & Technology

2009-12-01

as those found in ISO 12207 [ ISO /IEC 12207 :2008] (for software engineering), ISO 15288 [ ISO /IEC 15288:2008] (for systems engineering), the Rational...Open Distributed Processing - Reference Model: Foundations ( ISO /IEC 10746-2). 1996. [ ISO /IEC 12207 :2008] International Organization for...Standardization & International Electrotechnical Commission. Sys- tems and software engineering – Software life cycle processes ( ISO /IEC 12207 ). 2008. [ ISO

AIR VEHICLE INTEGRATION AND TECHNOLOGY RESEARCH (AVIATR) Task Order 0015: Predictive Capability for Hypersonic Structural Response and Life Prediction: Phase 1-Identification of Knowledge Gaps, Volume 1: Nonproprietary Version

DTIC Science & Technology

2010-09-01

22 Figure 23. Flow Type and the reference empirical model ............................................................ 24 Figure 24. Baseline...Trajectory ...................................................................................................... 25 Figure 25. Flow Features Important...94 viii GLOSSARY ACCTE Advanced Ceramic Composites for Turbine Engines AFRL Air Force Research Laboratory AoA Angle of Attack ASE

Comparison of mechanistic transport cycle models of ABC exporters.

PubMed

Szöllősi, Dániel; Rose-Sperling, Dania; Hellmich, Ute A; Stockner, Thomas

2018-04-01

ABC (ATP binding cassette) transporters, ubiquitous in all kingdoms of life, carry out essential substrate transport reactions across cell membranes. Their transmembrane domains bind and translocate substrates and are connected to a pair of nucleotide binding domains, which bind and hydrolyze ATP to energize import or export of substrates. Over four decades of investigations into ABC transporters have revealed numerous details from atomic-level structural insights to their functional and physiological roles. Despite all these advances, a comprehensive understanding of the mechanistic principles of ABC transporter function remains elusive. The human multidrug resistance transporter ABCB1, also referred to as P-glycoprotein (P-gp), is one of the most intensively studied ABC exporters. Using ABCB1 as the reference point, we aim to compare the dominating mechanistic models of substrate transport and ATP hydrolysis for ABC exporters and to highlight the experimental and computational evidence in their support. In particular, we point out in silico studies that enhance and complement available biochemical data. "This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain." Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Traditional medicine and gastroprotective crude drugs.

PubMed

Schmeda-Hirschmann, Guillermo; Yesilada, Erdem

2005-08-22

A frequent question when dealing with the search for gastroprotective compounds from natural sources is how far or close are both the plant preparations and extract amounts from the doses recommended in traditional medicine and what should be considered realistic levels for experimental studies. The administration way is oral and therefore extracts and products should be administered by gavage when looking for validation of ethnopharmacological uses. Suggestions of doses for both crude extracts and pure compounds are presented and discussed. For plant extracts prepared from single herbs and herbal mixtures, dose-response studies in the range between 100 and 300 mg/kg are suggested, with more than a single gastric ulcer model either in rats or mice. A suitable reference compound should be used according to the ulcer model and in doses resembling those used for human patients. For pure compounds and structure-activity studies or trends, dose-response results should be provided for at least a parent compound in order to select a reasonable dose for comparison purposes. We suggest an evaluation of the activity of the parent compound in the 50-300 mg/kg range and to look for structural modification leading to derivatives with similar or higher gastroprotective effects than the reference antiulcer compounds.

The Gaia inertial reference frame and the tilting of the Milky Way disk

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perryman, Michael; Spergel, David N.; Lindegren, Lennart, E-mail: mac.perryman@gmail.com

2014-07-10

While the precise relationship between the Milky Way disk and the symmetry planes of the dark matter halo remains somewhat uncertain, a time-varying disk orientation with respect to an inertial reference frame seems probable. Hierarchical structure formation models predict that the dark matter halo is triaxial and tumbles with a characteristic rate of ∼2 rad H{sub 0}{sup −1} (∼30 μas yr{sup –1}). These models also predict a time-dependent accretion of gas, such that the angular momentum vector of the disk should be misaligned with that of the halo. These effects, as well as tidal effects of the LMC, will resultmore » in the rotation of the angular momentum vector of the disk population with respect to the quasar reference frame. We assess the accuracy with which the positions and proper motions from Gaia can be referred to a kinematically non-rotating system, and show that the spin vector of the transformation from any rigid self-consistent catalog frame to the quasi-inertial system defined by quasars should be defined to better than 1 μas yr{sup –1}. Determination of this inertial frame by Gaia will reveal any signature of the disk orientation varying with time, improve models of the potential and dynamics of the Milky Way, test theories of gravity, and provide new insights into the orbital evolution of the Sagittarius dwarf galaxy and the Magellanic Clouds.« less

Structure Topology Optimization of Brake Pad in Large- megawatt Wind Turbine Brake Considering Thermal- structural Coupling

NASA Astrophysics Data System (ADS)

Zhang, S. F.; Yin, J.; Liu, Y.; Sha, Z. H.; Ma, F. J.

2016-11-01

There always exists severe non-uniform wear of brake pad in large-megawatt wind turbine brake during the braking process, which has the brake pad worn out in advance and even threats the safety production of wind turbine. The root cause of this phenomenon is the non-uniform deformation caused by thermal-structural coupling effect between brake pad and disc while braking under the conditions of both high speed and heavy load. For this problem, mathematical model of thermal-structural coupling analysis is built. Based on the topology optimization method of Solid Isotropic Microstructures with Penalization, SIMP, structure topology optimization of brake pad is developed considering the deformation caused by thermal-structural coupling effect. The objective function is the minimum flexibility, and the structure topology optimization model of brake pad is established after indirect thermal- structural coupling analysis. Compared with the optimization result considering non-thermal- structural coupling, the conspicuous influence of thermal effect on brake pad wear and deformation is proven as well as the rationality of taking thermal-structural coupling effect as optimization condition. Reconstructed model is built according to the result, meanwhile analysis for verification is carried out with the same working condition. This study provides theoretical foundation for the design of high-speed and heavy-load brake pad. The new structure may provide design reference for improving the stress condition between brake pad and disc, enhancing the use ratio of friction material and increasing the working performance of large-megawatt wind turbine brake.

STEP and STEPSPL: Computer programs for aerodynamic model structure determination and parameter estimation

NASA Technical Reports Server (NTRS)

Batterson, J. G.

1986-01-01

The successful parametric modeling of the aerodynamics for an airplane operating at high angles of attack or sideslip is performed in two phases. First the aerodynamic model structure must be determined and second the associated aerodynamic parameters (stability and control derivatives) must be estimated for that model. The purpose of this paper is to document two versions of a stepwise regression computer program which were developed for the determination of airplane aerodynamic model structure and to provide two examples of their use on computer generated data. References are provided for the application of the programs to real flight data. The two computer programs that are the subject of this report, STEP and STEPSPL, are written in FORTRAN IV (ANSI l966) compatible with a CDC FTN4 compiler. Both programs are adaptations of a standard forward stepwise regression algorithm. The purpose of the adaptation is to facilitate the selection of a adequate mathematical model of the aerodynamic force and moment coefficients of an airplane from flight test data. The major difference between STEP and STEPSPL is in the basis for the model. The basis for the model in STEP is the standard polynomial Taylor's series expansion of the aerodynamic function about some steady-state trim condition. Program STEPSPL utilizes a set of spline basis functions.

Simplified three-dimensional model provides anatomical insights in lizards' caudal autotomy as printed illustration.

PubMed

De Amorim, Joana D C G; Travnik, Isadora; De Sousa, Bernadete M

2015-03-01

Lizards' caudal autotomy is a complex and vastly employed antipredator mechanism, with thorough anatomic adaptations involved. Due to its diminished size and intricate structures, vertebral anatomy is hard to be clearly conveyed to students and researchers of other areas. Three-dimensional models are prodigious tools in unveiling anatomical nuances. Some of the techniques used to create them can produce irregular and complicated forms, which despite being very accurate, lack didactical uniformity and simplicity. Since both are considered fundamental characteristics for comprehension, a simplified model could be the key to improve learning. The model here presented depicts the caudal osteology of Tropidurus itambere, and was designed to be concise, in order to be easily assimilated, yet complete, not to compromise the informative aspect. The creation process requires only basic skills in manipulating polygons in 3D modeling softwares, in addition to the appropriate knowledge of the structure to be modeled. As reference for the modeling, we used microscopic observation and a photograph database of the caudal structures. This way, no advanced laboratory equipment was needed and all biological materials were preserved for future research. Therefore, we propose a wider usage of simplified 3D models both in the classroom and as illustrations for scientific publications.

Standard solar model. II - g-modes

NASA Technical Reports Server (NTRS)

Guenther, D. B.; Demarque, P.; Pinsonneault, M. H.; Kim, Y.-C.

1992-01-01

The paper presents the g-mode oscillation for a set of modern solar models. Each solar model is based on a single modification or improvement to the physics of a reference solar model. Improvements were made to the nuclear reaction rates, the equation of state, the opacities, and the treatment of the atmosphere. The error in the predicted g-mode periods associated with the uncertainties in the model physics is predicted and the specific sensitivities of the g-mode periods and their period spacings to the different model structures are described. In addition, these models are compared to a sample of published observations. A remarkably good agreement is found between the 'best' solar model and the observations of Hill and Gu (1990).

Standard solar model

NASA Technical Reports Server (NTRS)

Guenther, D. B.; Demarque, P.; Kim, Y.-C.; Pinsonneault, M. H.

1992-01-01

A set of solar models have been constructed, each based on a single modification to the physics of a reference solar model. In addition, a model combining several of the improvements has been calculated to provide a best solar model. Improvements were made to the nuclear reaction rates, the equation of state, the opacities, and the treatment of the atmosphere. The impact on both the structure and the frequencies of the low-l p-modes of the model to these improvements are discussed. It is found that the combined solar model, which is based on the best physics available (and does not contain any ad hoc assumptions), reproduces the observed oscillation spectrum (for low-l) within the errors associated with the uncertainties in the model physics (primarily opacities).

Effect of Spatial Locality Prefetching on Structural Locality

DTIC Science & Technology

1991-12-01

Pollution module calculates the SLC and CAM cache pollution percentages. And finally, the Generate Reference Frequency List module produces the output...3.2.5 Generate Reference Frequency List 3.2.6 Each program module in the structure chart is mapped into an Ada package. By performing this encapsulation...call routine to generate reference -- frequency list -- end if -- end loop -- close input, output, and reference files end Cache Simulator Figure 3.5

Modeling spike-wave discharges by a complex network of neuronal oscillators.

PubMed

Medvedeva, Tatiana M; Sysoeva, Marina V; van Luijtelaar, Gilles; Sysoev, Ilya V

2018-02-01

The organization of neural networks and the mechanisms, which generate the highly stereotypical for absence epilepsy spike-wave discharges (SWDs) is heavily debated. Here we describe such a model which can both reproduce the characteristics of SWDs and dynamics of coupling between brain regions, relying mainly on properties of hierarchically organized networks of a large number of neuronal oscillators. We used a two level mesoscale model. The first level consists of three structures: the nervus trigeminus serving as an input, the thalamus and the somatosensory cortex; the second level of a group of nearby situated neurons belonging to one of three modeled structures. The model reproduces the main features of the transition from normal to epileptiformic activity and its spontaneous abortion: an increase in the oscillation amplitude, the emergence of the main frequency and its higher harmonics, and the ability to generate trains of seizures. The model was stable with respect to variations in the structure of couplings and to scaling. The analyzes of the interactions between model structures from their time series using Granger causality method showed that the model reproduced the preictal coupling increase detected previously from experimental data. SWDs can be generated by changes in network organization. It is proposed that a specific pathological architecture of couplings in the brain is necessary to allow the transition from normal to epileptiformic activity, next to by others modeled and reported factors referring to complex, intrinsic, and synaptic mechanisms. Copyright © 2017 Elsevier Ltd. All rights reserved.

Rotor Position Sensorless Control and Its Parameter Sensitivity of Permanent Magnet Motor Based on Model Reference Adaptive System

NASA Astrophysics Data System (ADS)

Ohara, Masaki; Noguchi, Toshihiko

This paper describes a new method for a rotor position sensorless control of a surface permanent magnet synchronous motor based on a model reference adaptive system (MRAS). This method features the MRAS in a current control loop to estimate a rotor speed and position by using only current sensors. This method as well as almost all the conventional methods incorporates a mathematical model of the motor, which consists of parameters such as winding resistances, inductances, and an induced voltage constant. Hence, the important thing is to investigate how the deviation of these parameters affects the estimated rotor position. First, this paper proposes a structure of the sensorless control applied in the current control loop. Next, it proves the stability of the proposed method when motor parameters deviate from the nominal values, and derives the relationship between the estimated position and the deviation of the parameters in a steady state. Finally, some experimental results are presented to show performance and effectiveness of the proposed method.

Activities, self-referent memory beliefs, and cognitive performance: evidence for direct and mediated relations.

PubMed

Jopp, Daniela; Hertzog, Christopher

2007-12-01

In this study, the authors investigated the role of activities and self-referent memory beliefs for cognitive performance in a life-span sample. A factor analysis identified 8 activity factors, including Developmental Activities, Experiential Activities, Social Activities, Physical Activities, Technology Use, Watching Television, Games, and Crafts. A second-order general activity factor was significantly related to a general factor of cognitive function as defined by ability tests. Structural regression models suggested that prediction of cognition by activity level was partially mediated by memory beliefs, controlling for age, education, health, and depressive affect. Models adding paths from general and specific activities to aspects of crystallized intelligence suggested additional unique predictive effects for some activities. In alternative models, nonsignificant effects of beliefs on activities were detected when cognition predicted both variables, consistent with the hypothesis that beliefs derive from monitoring cognition and have no influence on activity patterns. PsycINFO Database Record (c) 2008 APA, all rights reserved.

Applying an Empirical Hydropathic Forcefield in Refinement May Improve Low-Resolution Protein X-Ray Crystal Structures

PubMed Central

Koparde, Vishal N.; Scarsdale, J. Neel; Kellogg, Glen E.

2011-01-01

Background The quality of X-ray crystallographic models for biomacromolecules refined from data obtained at high-resolution is assured by the data itself. However, at low-resolution, >3.0 Å, additional information is supplied by a forcefield coupled with an associated refinement protocol. These resulting structures are often of lower quality and thus unsuitable for downstream activities like structure-based drug discovery. Methodology An X-ray crystallography refinement protocol that enhances standard methodology by incorporating energy terms from the HINT (Hydropathic INTeractions) empirical forcefield is described. This protocol was tested by refining synthetic low-resolution structural data derived from 25 diverse high-resolution structures, and referencing the resulting models to these structures. The models were also evaluated with global structural quality metrics, e.g., Ramachandran score and MolProbity clashscore. Three additional structures, for which only low-resolution data are available, were also re-refined with this methodology. Results The enhanced refinement protocol is most beneficial for reflection data at resolutions of 3.0 Å or worse. At the low-resolution limit, ≥4.0 Å, the new protocol generated models with Cα positions that have RMSDs that are 0.18 Å more similar to the reference high-resolution structure, Ramachandran scores improved by 13%, and clashscores improved by 51%, all in comparison to models generated with the standard refinement protocol. The hydropathic forcefield terms are at least as effective as Coulombic electrostatic terms in maintaining polar interaction networks, and significantly more effective in maintaining hydrophobic networks, as synthetic resolution is decremented. Even at resolutions ≥4.0 Å, these latter networks are generally native-like, as measured with a hydropathic interactions scoring tool. PMID:21246043

3DIANA: 3D Domain Interaction Analysis: A Toolbox for Quaternary Structure Modeling

PubMed Central

Segura, Joan; Sanchez-Garcia, Ruben; Tabas-Madrid, Daniel; Cuenca-Alba, Jesus; Sorzano, Carlos Oscar S.; Carazo, Jose Maria

2016-01-01

Electron microscopy (EM) is experiencing a revolution with the advent of a new generation of Direct Electron Detectors, enabling a broad range of large and flexible structures to be resolved well below 1 nm resolution. Although EM techniques are evolving to the point of directly obtaining structural data at near-atomic resolution, for many molecules the attainable resolution might not be enough to propose high-resolution structural models. However, accessing information on atomic coordinates is a necessary step toward a deeper understanding of the molecular mechanisms that allow proteins to perform specific tasks. For that reason, methods for the integration of EM three-dimensional maps with x-ray and NMR structural data are being developed, a modeling task that is normally referred to as fitting, resulting in the so called hybrid models. In this work, we present a novel application—3DIANA—specially targeted to those cases in which the EM map resolution is medium or low and additional experimental structural information is scarce or even lacking. In this way, 3DIANA statistically evaluates proposed/potential contacts between protein domains, presents a complete catalog of both structurally resolved and predicted interacting regions involving these domains and, finally, suggests structural templates to model the interaction between them. The evaluation of the proposed interactions is computed with DIMERO, a new method that scores physical binding sites based on the topology of protein interaction networks, which has recently shown the capability to increase by 200% the number of domain-domain interactions predicted in interactomes as compared to previous approaches. The new application displays the information at a sequence and structural level and is accessible through a web browser or as a Chimera plugin at http://3diana.cnb.csic.es. PMID:26772592

Nonsingular expansions of the gravity potential and its derivatives at satellite altitudes in the ellipsoidal coordinate system

NASA Astrophysics Data System (ADS)

Vershkov, A. N.; Petrovskaya, M. S.

2016-11-01

The series in ellipsoidal harmonics for derivatives of the Earth's gravity potential are used only on the reference ellipsoid enveloping the Earth due to their very complex mathematical structure. In the current study, the series in ellipsoidal harmonics are constructed for first- and second-order derivatives of the potential at satellite altitudes; their structure is similar to the series on the reference ellipsoid. The point P is chosen at a random satellite altitude; then, the ellipsoid of revolution is described, which passes through this point and is confocal to the reference ellipsoid. An object-centered coordinate system with the origin at the point P is considered. Using a sequence of transformations, the nonsingular series in ellipsoidal harmonics is constructed for first and second derivatives of the potential in the object-centered coordinate system. These series can be applied to develop a model of the Earth's potential, based on combined use of surface gravitational force measurements, data on the satellite orbital position, its acceleration, or measurements of the gravitational force gradients of the first and second order. The technique is applicable to any other planet of the Solar System.

Validity of flowmeter data in heterogeneous alluvial aquifers

NASA Astrophysics Data System (ADS)

Bianchi, Marco

2017-04-01

Numerical simulations are performed to evaluate the impact of medium-scale sedimentary architecture and small-scale heterogeneity on the validity of the borehole flowmeter test, a widely used method for measuring hydraulic conductivity (K) at the scale required for detailed groundwater flow and solute transport simulations. Reference data from synthetic K fields representing the range of structures and small-scale heterogeneity typically observed in alluvial systems are compared with estimated values from numerical simulations of flowmeter tests. Systematic errors inherent in the flowmeter K estimates are significant when the reference K field structure deviates from the hypothetical perfectly stratified conceptual model at the basis of the interpretation method of flowmeter tests. Because of these errors, the true variability of the K field is underestimated and the distributions of the reference K data and log-transformed spatial increments are also misconstrued. The presented numerical analysis shows that the validity of flowmeter based K data depends on measureable parameters defining the architecture of the hydrofacies, the conductivity contrasts between the hydrofacies and the sub-facies-scale K variability. A preliminary geological characterization is therefore essential for evaluating the optimal approach for accurate K field characterization.

Social class disparities in health and education: reducing inequality by applying a sociocultural self model of behavior.

PubMed

Stephens, Nicole M; Markus, Hazel Rose; Fryberg, Stephanie A

2012-10-01

The literature on social class disparities in health and education contains 2 underlying, yet often opposed, models of behavior: the individual model and the structural model. These models refer to largely unacknowledged assumptions about the sources of human behavior that are foundational to research and interventions. Our review and theoretical integration proposes that, in contrast to how the 2 models are typically represented, they are not opposed, but instead they are complementary sets of understandings that inform and extend each other. Further, we elaborate the theoretical rationale and predictions for a third model: the sociocultural self model of behavior. This model incorporates and extends key tenets of the individual and structural models. First, the sociocultural self model conceptualizes individual characteristics (e.g., skills) and structural conditions (e.g., access to resources) as interdependent forces that mutually constitute each other and that are best understood together. Second, the sociocultural self model recognizes that both individual characteristics and structural conditions indirectly influence behavior through the selves that emerge in the situation. These selves are malleable psychological states that are a product of the ongoing mutual constitution of individuals and structures and serve to guide people's behavior by systematically shaping how people construe situations. The theoretical foundation of the sociocultural self model lays the groundwork for a more complete understanding of behavior and provides new tools for developing interventions that will reduce social class disparities in health and education. The model predicts that intervention efforts will be more effective at producing sustained behavior change when (a) current selves are congruent, rather than incongruent, with the desired behavior and (b) individual characteristics and structural conditions provide ongoing support for the selves that are necessary to support the desired behavior. PsycINFO Database Record (c) 2012 APA, all rights reserved.

Finite Element Analysis of Doorframe Structure of Single Oblique Pole Type in Container Crane

NASA Astrophysics Data System (ADS)

Cheng, X. F.; Wu, F. Q.; Tang, G.; Hu, X.

2017-07-01

Compared with the composite type, the single oblique pole type has more advantages, such as simple structure, thrift steel and high safe overhead clearance. The finite element model of the single oblique pole type is established in nodes by ANSYS, and more details are considered when the model is simplified, such as the section of Girder and Boom, torque in Girder and Boom occurred by Machinery house and Trolley, density according to the way of simplification etc. The stress and deformation of ten observation points are compared and analyzed, when the trolley is in nine dangerous positions. Based on the result of analysis, six dangerous points are selected to provide reference for the detection and evaluation of container crane.

Theoretical study of the electron affinities of MF6 and MF - 6 (M=Cr, Mo, and W) using a model potential method

NASA Astrophysics Data System (ADS)

Sakai, Yoshiko; Miyoshi, Eisaku

1987-09-01

Electronic structures of MF6, MF-6, and MF2-6 (M=Cr, Mo, and W) were calculated using a model potential method in the Hartree-Fock-Roothaan scheme. Major relativistic effects were taken into account for the calculations on MoFq6 and WFq6 (q=0, -1, and -2). It is shown that the calculated electron affinities (EAs) are extremely high for all the MF6 molecules, and that the CrF-6 and MoF-6 anions also have positive EAs, whereas the WF-6 anion has a slightly negative EA. The behaviors of the EAs are interpreted with reference to the electronic structures of the MFq6 systems.

A Theory for the Roll-Ratchet Phenomenon in High Performance Aircraft

NASA Technical Reports Server (NTRS)

Hess, Ronald A.

1997-01-01

Roll-ratchet refers to a high frequency oscillation which can occur in pilot-in-the-loop control of roll attitude in high performance aircraft. The frequencies of oscillation are typically well beyond those associated with the more familiar pilot-induced oscillation. A structural model of the human pilot which has been employed to provide a unified theory for aircraft handling qualities and pilot-induced oscillations is employed here to provide a theory for the existence of roll-ratchet. It is hypothesized and demonstrated using the structural model that the pilot's inappropriate use of vestibular acceleration feedback can cause this phenomenon, a possibility which has been discussed previously by other researchers. The possible influence of biodynamic feedback on roll ratchet is also discussed.

Computational Models of Cognitive Control

PubMed Central

O’Reilly, Randall C.; Herd, Seth A.; Pauli, Wolfgang M.

2010-01-01

Cognitive control refers to the ability to perform task-relevant processing in the face of other distractions or other forms of interference, in the absence of strong environmental support. It depends on the integrity of the prefrontal cortex and associated biological structures (e.g., the basal ganglia). Computational models have played an influential role in developing our understanding of this system, and we review current developments in three major areas: dynamic gating of prefrontal representations, hierarchies in the prefrontal cortex, and reward, motivation, and goal-related processing in prefrontal cortex. Models in these and other areas are advancing the field further forward. PMID:20185294

Biomechanical modeling and load-carrying simulation of lower limb exoskeleton.

PubMed

Zhu, Yanhe; Zhang, Guoan; Zhang, Chao; Liu, Gangfeng; Zhao, Jie

2015-01-01

This paper introduces novel modern equipment-a lower extremity exoskeleton, which can implement the mutual complement and the interaction between human intelligence and the robot's mechanical strength. In order to provide a reference for the exoskeleton structure and the drive unit, the human biomechanics were modeled and analyzed by LifeModeler and Adams software to derive each joint kinematic parameter. The control was designed to implement the zero-force interaction between human and exoskeleton. Furthermore, simulations were performed to verify the control and assist effect. In conclusion, the system scheme of lower extremity exoskeleton is demonstrated to be feasible.

Second law of thermodynamics in volume diffusion hydrodynamics in multicomponent gas mixtures

NASA Astrophysics Data System (ADS)

Dadzie, S. Kokou

2012-10-01

We presented the thermodynamic structure of a new continuum flow model for multicomponent gas mixtures. The continuum model is based on a volume diffusion concept involving specific species. It is independent of the observer's reference frame and enables a straightforward tracking of a selected species within a mixture composed of a large number of constituents. A method to derive the second law and constitutive equations accompanying the model is presented. Using the configuration of a rotating fluid we illustrated an example of non-classical flow physics predicted by new contributions in the entropy and constitutive equations.

Temperature and pressure correlation for volume of gas hydrates with crystal structures sI and sII

NASA Astrophysics Data System (ADS)

Vinš, Václav; Jäger, Andreas; Hielscher, Sebastian; Span, Roland; Hrubý, Jan; Breitkopf, Cornelia

The temperature and pressure correlations for the volume of gas hydrates forming crystal structures sI and sII developed in previous study [Fluid Phase Equilib. 427 (2016) 268-281], focused on the modeling of pure gas hydrates relevant in CCS (carbon capture and storage), were revised and modified for the modeling of mixed hydrates in this study. A universal reference state at temperature of 273.15 K and pressure of 1 Pa is used in the new correlation. Coefficients for the thermal expansion together with the reference lattice parameter were simultaneously correlated to both the temperature data and the pressure data for the lattice parameter. A two-stage Levenberg Marquardt algorithm was employed for the parameter optimization. The pressure dependence described in terms of the bulk modulus remained unchanged compared to the original study. A constant value for the bulk modulus B0 = 10 GPa was employed for all selected hydrate formers. The new correlation is in good agreement with the experimental data over wide temperature and pressure ranges from 0 K to 293 K and from 0 to 2000 MPa, respectively. Compared to the original correlation used for the modeling of pure gas hydrates the new correlation provides significantly better agreement with the experimental data for sI hydrates. The results of the new correlation are comparable to the results of the old correlation in case of sII hydrates. In addition, the new correlation is suitable for modeling of mixed hydrates.

Civil engineering reference guide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Merritt, F.S.

1986-01-01

The civil engineering reference guide contains the following: Structural theory. Structural steel design. Concrete design and construction. Wood design and construction. Bridge engineering. Geotechnical engineering. Water engineering. Environmental engineering. Surveying.

Galen-In-Use: using artificial intelligence terminology tools to improve the linguistic coherence of a national coding system for surgical procedures.

PubMed

Rodrigues, J M; Trombert-Paviot, B; Baud, R; Wagner, J; Meusnier-Carriot, F

1998-01-01

GALEN has developed a language independent common reference model based on a medically oriented ontology and practical tools and techniques for managing healthcare terminology including natural language processing. GALEN-IN-USE is the current phase which applied the modelling and the tools to the development or the updating of coding systems for surgical procedures in different national coding centers co-operating within the European Federation of Coding Centre (EFCC) to create a language independent knowledge repository for multicultural Europe. We used an integrated set of artificial intelligence terminology tools named CLAssification Manager workbench to process French professional medical language rubrics into intermediate dissections and to the Grail reference ontology model representation. From this language independent concept model representation we generate controlled French natural language. The French national coding centre is then able to retrieve the initial professional rubrics with different categories of concepts, to compare the professional language proposed by expert clinicians to the French generated controlled vocabulary and to finalize the linguistic labels of the coding system in relation with the meanings of the conceptual system structure.

CARD 2017: expansion and model-centric curation of the comprehensive antibiotic resistance database

PubMed Central

Jia, Baofeng; Raphenya, Amogelang R.; Alcock, Brian; Waglechner, Nicholas; Guo, Peiyao; Tsang, Kara K.; Lago, Briony A.; Dave, Biren M.; Pereira, Sheldon; Sharma, Arjun N.; Doshi, Sachin; Courtot, Mélanie; Lo, Raymond; Williams, Laura E.; Frye, Jonathan G.; Elsayegh, Tariq; Sardar, Daim; Westman, Erin L.; Pawlowski, Andrew C.; Johnson, Timothy A.; Brinkman, Fiona S.L.; Wright, Gerard D.; McArthur, Andrew G.

2017-01-01

The Comprehensive Antibiotic Resistance Database (CARD; http://arpcard.mcmaster.ca) is a manually curated resource containing high quality reference data on the molecular basis of antimicrobial resistance (AMR), with an emphasis on the genes, proteins and mutations involved in AMR. CARD is ontologically structured, model centric, and spans the breadth of AMR drug classes and resistance mechanisms, including intrinsic, mutation-driven and acquired resistance. It is built upon the Antibiotic Resistance Ontology (ARO), a custom built, interconnected and hierarchical controlled vocabulary allowing advanced data sharing and organization. Its design allows the development of novel genome analysis tools, such as the Resistance Gene Identifier (RGI) for resistome prediction from raw genome sequence. Recent improvements include extensive curation of additional reference sequences and mutations, development of a unique Model Ontology and accompanying AMR detection models to power sequence analysis, new visualization tools, and expansion of the RGI for detection of emergent AMR threats. CARD curation is updated monthly based on an interplay of manual literature curation, computational text mining, and genome analysis. PMID:27789705

Metonymy and reference-point errors in novice programming

NASA Astrophysics Data System (ADS)

Miller, Craig S.

2014-07-01

When learning to program, students often mistakenly refer to an element that is structurally related to the element that they intend to reference. For example, they may indicate the attribute of an object when their intention is to reference the whole object. This paper examines these reference-point errors through the context of metonymy. Metonymy is a rhetorical device where the speaker states a referent that is structurally related to the intended referent. For example, the following sentence states an office bureau but actually refers to a person working at the bureau: The tourist asked the travel bureau for directions to the museum. Drawing upon previous studies, I discuss how student reference errors may be consistent with the use of metonymy. In particular, I hypothesize that students are more likely to reference an identifying element even when a structurally related element is intended. I then present two experiments, which produce results consistent with this analysis. In both experiments, students are more likely to produce reference-point errors that involve identifying attributes than descriptive attributes. Given these results, I explore the possibility that students are relying on habits of communication rather than the mechanistic principles needed for successful programming. Finally I discuss teaching interventions using live examples and how metonymy may be presented to non-computing students as pedagogy for computational thinking.

Pseudo-conformer models for linear molecules: Joint treatment of spectroscopic, electron diffraction and ab initio data for the C3O2 molecule

NASA Astrophysics Data System (ADS)

Tarasov, Yury I.; Kochikov, Igor V.

2018-06-01

Dynamic analysis of the molecules with large-amplitude motions (LAM) based on the pseudo-conformer approach has been successfully applied to various molecules. Floppy linear molecules present a special class of molecular structures that possess a pair of conjugate LAM coordinates but allow one-dimensional treatment. In this paper, previously developed treatment for the semirigid molecules is applied to the carbon suboxide molecule. This molecule characterized by the extremely large CCC bending has been thoroughly investigated by spectroscopic and ab initio methods. However, the earlier electron diffraction investigations were performed within a static approach, obtaining thermally averaged parameters. In this paper we apply a procedure aimed at obtaining the short list of self-consistent reference geometry parameters of a molecule, while all thermally averaged parameters are calculated based on reference geometry, relaxation dependencies and quadratic and cubic force constants. We show that such a model satisfactorily describes available electron diffraction evidence with various QC bending potential energy functions when r.m.s. CCC angle is in the interval 151 ± 2°. This leads to a self-consistent molecular model satisfying spectroscopic and GED data. The parameters for linear reference geometry have been defined as re(CO) = 1.161(2) Å and re(CC) = 1.273(2) Å.

Characterization of compression behaviors of fully covered biodegradable polydioxanone biliary stent for human body: A numerical approach by finite element model.

PubMed

Liu, Yanhui; Zhang, Peihua

2016-09-01

This paper presents a study of the compression behaviors of fully covered biodegradable polydioxanone biliary stents (FCBPBs) developed for human body by finite element method. To investigate the relationship between the compression force and structure parameter (monofilament diameter and braid-pin number), nine numerical models based on actual biliary stent were established, the simulation and experimental results are in good agreement with each other when calculating the compression force derived from both experiment and simulation results, indicating that the simulation results can be provided a useful reference to the investigation of biliary stents. The stress distribution on FCBPBSs was studied to optimize the structure of FCBPBSs. In addition, the plastic dissipation analysis and plastic strain of FCBPBSs were obtained via the compression simulation, revealing the structure parameter effect on the tolerance. Copyright © 2016 Elsevier Ltd. All rights reserved.

Robust Depth Image Acquisition Using Modulated Pattern Projection and Probabilistic Graphical Models

PubMed Central

Kravanja, Jaka; Žganec, Mario; Žganec-Gros, Jerneja; Dobrišek, Simon; Štruc, Vitomir

2016-01-01

Depth image acquisition with structured light approaches in outdoor environments is a challenging problem due to external factors, such as ambient sunlight, which commonly affect the acquisition procedure. This paper presents a novel structured light sensor designed specifically for operation in outdoor environments. The sensor exploits a modulated sequence of structured light projected onto the target scene to counteract environmental factors and estimate a spatial distortion map in a robust manner. The correspondence between the projected pattern and the estimated distortion map is then established using a probabilistic framework based on graphical models. Finally, the depth image of the target scene is reconstructed using a number of reference frames recorded during the calibration process. We evaluate the proposed sensor on experimental data in indoor and outdoor environments and present comparative experiments with other existing methods, as well as commercial sensors. PMID:27775570

Study on fluid-structure interaction in liquid oxygen feeding pipe systems using finite volume method

NASA Astrophysics Data System (ADS)

Wei, Xin; Sun, Bing

2011-10-01

The fluid-structure interaction may occur in space launch vehicles, which would lead to bad performance of vehicles, damage equipments on vehicles, or even affect astronauts' health. In this paper, analysis on dynamic behavior of liquid oxygen (LOX) feeding pipe system in a large scale launch vehicle is performed, with the effect of fluid-structure interaction (FSI) taken into consideration. The pipe system is simplified as a planar FSI model with Poisson coupling and junction coupling. Numerical tests on pipes between the tank and the pump are solved by the finite volume method. Results show that restrictions weaken the interaction between axial and lateral vibrations. The reasonable results regarding frequencies and modes indicate that the FSI affects substantially the dynamic analysis, and thus highlight the usefulness of the proposed model. This study would provide a reference to the pipe test, as well as facilitate further studies on oscillation suppression.

Structural refinement of vitreous silica bilayers

NASA Astrophysics Data System (ADS)

Sadjadi, Mahdi; Wilson, Mark; Thorpe, M. F.

The importance of glasses resides not only in their applications but in fundamental questions that they put forth. The continuous random network model can successfully describe the glass structure, but determining details, like ring statistics, has always been difficult using only diffraction data. But recent atomic images of 2D vitreous silica bilayers can offer valuable new insights which are hard to be observed directly in 3D silica models/experiments (for references see). However, the experimental results are prone to uncertainty in atomic positions, systematic errors, and being finite. We employ special boundary conditions developed for such networks to refine the experimental structures. We show the best structure can be found by using various potentials to maximize information gained from the experimental samples. We find a range of densities, the so-called flexibility window, in which tetrahedra are perfect. We compare results from simulations using harmonic potentials, MD with atomic polarizabilities included and DFT. We should thank David Drabold and Bishal Bhattarai for useful discussions. Support through NSF Grant # DMS 1564468 is gratefully acknowledged.

Modeling drivers of phosphorus loads in Chesapeake Bay tributaries and inferences about long-term change

USGS Publications Warehouse

Ryberg, Karen R.; Blomquist, Joel; Sprague, Lori A.; Sekellick, Andrew J.; Keisman, Jennifer

2018-01-01

Causal attribution of changes in water quality often consists of correlation, qualitative reasoning, listing references to the work of others, or speculation. To better support statements of attribution for water-quality trends, structural equation modeling was used to model the causal factors of total phosphorus loads in the Chesapeake Bay watershed. By transforming, scaling, and standardizing variables, grouping similar sites, grouping some causal factors into latent variable models, and using methods that correct for assumption violations, we developed a structural equation model to show how causal factors interact to produce total phosphorus loads. Climate (in the form of annual total precipitation and the Palmer Hydrologic Drought Index) and anthropogenic inputs are the major drivers of total phosphorus load in the Chesapeake Bay watershed. Increasing runoff due to natural climate variability is offsetting purposeful management actions that are otherwise decreasing phosphorus loading; consequently, management actions may need to be reexamined to achieve target reductions in the face of climate variability.

Incorporating structure from motion uncertainty into image-based pose estimation

NASA Astrophysics Data System (ADS)

Ludington, Ben T.; Brown, Andrew P.; Sheffler, Michael J.; Taylor, Clark N.; Berardi, Stephen

2015-05-01

A method for generating and utilizing structure from motion (SfM) uncertainty estimates within image-based pose estimation is presented. The method is applied to a class of problems in which SfM algorithms are utilized to form a geo-registered reference model of a particular ground area using imagery gathered during flight by a small unmanned aircraft. The model is then used to form camera pose estimates in near real-time from imagery gathered later. The resulting pose estimates can be utilized by any of the other onboard systems (e.g. as a replacement for GPS data) or downstream exploitation systems, e.g., image-based object trackers. However, many of the consumers of pose estimates require an assessment of the pose accuracy. The method for generating the accuracy assessment is presented. First, the uncertainty in the reference model is estimated. Bundle Adjustment (BA) is utilized for model generation. While the high-level approach for generating a covariance matrix of the BA parameters is straightforward, typical computing hardware is not able to support the required operations due to the scale of the optimization problem within BA. Therefore, a series of sparse matrix operations is utilized to form an exact covariance matrix for only the parameters that are needed at a particular moment. Once the uncertainty in the model has been determined, it is used to augment Perspective-n-Point pose estimation algorithms to improve the pose accuracy and to estimate the resulting pose uncertainty. The implementation of the described method is presented along with results including results gathered from flight test data.

The Microphysiology Systems Database for Analyzing and Modeling Compound Interactions with Human and Animal Organ Models

PubMed Central

Vernetti, Lawrence; Bergenthal, Luke; Shun, Tong Ying; Taylor, D. Lansing

2016-01-01

Abstract Microfluidic human organ models, microphysiology systems (MPS), are currently being developed as predictive models of drug safety and efficacy in humans. To design and validate MPS as predictive of human safety liabilities requires safety data for a reference set of compounds, combined with in vitro data from the human organ models. To address this need, we have developed an internet database, the MPS database (MPS-Db), as a powerful platform for experimental design, data management, and analysis, and to combine experimental data with reference data, to enable computational modeling. The present study demonstrates the capability of the MPS-Db in early safety testing using a human liver MPS to relate the effects of tolcapone and entacapone in the in vitro model to human in vivo effects. These two compounds were chosen to be evaluated as a representative pair of marketed drugs because they are structurally similar, have the same target, and were found safe or had an acceptable risk in preclinical and clinical trials, yet tolcapone induced unacceptable levels of hepatotoxicity while entacapone was found to be safe. Results demonstrate the utility of the MPS-Db as an essential resource for relating in vitro organ model data to the multiple biochemical, preclinical, and clinical data sources on in vivo drug effects. PMID:28781990

Bayesian structured additive regression modeling of epidemic data: application to cholera

PubMed Central

2012-01-01

Background A significant interest in spatial epidemiology lies in identifying associated risk factors which enhances the risk of infection. Most studies, however, make no, or limited use of the spatial structure of the data, as well as possible nonlinear effects of the risk factors. Methods We develop a Bayesian Structured Additive Regression model for cholera epidemic data. Model estimation and inference is based on fully Bayesian approach via Markov Chain Monte Carlo (MCMC) simulations. The model is applied to cholera epidemic data in the Kumasi Metropolis, Ghana. Proximity to refuse dumps, density of refuse dumps, and proximity to potential cholera reservoirs were modeled as continuous functions; presence of slum settlers and population density were modeled as fixed effects, whereas spatial references to the communities were modeled as structured and unstructured spatial effects. Results We observe that the risk of cholera is associated with slum settlements and high population density. The risk of cholera is equal and lower for communities with fewer refuse dumps, but variable and higher for communities with more refuse dumps. The risk is also lower for communities distant from refuse dumps and potential cholera reservoirs. The results also indicate distinct spatial variation in the risk of cholera infection. Conclusion The study highlights the usefulness of Bayesian semi-parametric regression model analyzing public health data. These findings could serve as novel information to help health planners and policy makers in making effective decisions to control or prevent cholera epidemics. PMID:22866662

Requirements for data integration platforms in biomedical research networks: a reference model

PubMed Central

Knaup, Petra

2015-01-01

Biomedical research networks need to integrate research data among their members and with external partners. To support such data sharing activities, an adequate information technology infrastructure is necessary. To facilitate the establishment of such an infrastructure, we developed a reference model for the requirements. The reference model consists of five reference goals and 15 reference requirements. Using the Unified Modeling Language, the goals and requirements are set into relation to each other. In addition, all goals and requirements are described textually in tables. This reference model can be used by research networks as a basis for a resource efficient acquisition of their project specific requirements. Furthermore, a concrete instance of the reference model is described for a research network on liver cancer. The reference model is transferred into a requirements model of the specific network. Based on this concrete requirements model, a service-oriented information technology architecture is derived and also described in this paper. PMID:25699205

3D Reconstruction and Standardization of the Rat Vibrissal Cortex for Precise Registration of Single Neuron Morphology

PubMed Central

Egger, Robert; Narayanan, Rajeevan T.; Helmstaedter, Moritz; de Kock, Christiaan P. J.; Oberlaender, Marcel

2012-01-01

The three-dimensional (3D) structure of neural circuits is commonly studied by reconstructing individual or small groups of neurons in separate preparations. Investigation of structural organization principles or quantification of dendritic and axonal innervation thus requires integration of many reconstructed morphologies into a common reference frame. Here we present a standardized 3D model of the rat vibrissal cortex and introduce an automated registration tool that allows for precise placement of single neuron reconstructions. We (1) developed an automated image processing pipeline to reconstruct 3D anatomical landmarks, i.e., the barrels in Layer 4, the pia and white matter surfaces and the blood vessel pattern from high-resolution images, (2) quantified these landmarks in 12 different rats, (3) generated an average 3D model of the vibrissal cortex and (4) used rigid transformations and stepwise linear scaling to register 94 neuron morphologies, reconstructed from in vivo stainings, to the standardized cortex model. We find that anatomical landmarks vary substantially across the vibrissal cortex within an individual rat. In contrast, the 3D layout of the entire vibrissal cortex remains remarkably preserved across animals. This allows for precise registration of individual neuron reconstructions with approximately 30 µm accuracy. Our approach could be used to reconstruct and standardize other anatomically defined brain areas and may ultimately lead to a precise digital reference atlas of the rat brain. PMID:23284282

An Approach To Using All Location Tagged Numerical Data Sets As Continuous Fields With User-Assigned Continuity As A Basis For User-Driven Data Assimilation

NASA Astrophysics Data System (ADS)

Vernon, F.; Arrott, M.; Orcutt, J. A.; Mueller, C.; Case, J.; De Wardener, G.; Kerfoot, J.; Schofield, O.

2013-12-01

Any approach sophisticated enough to handle a variety of data sources and scale, yet easy enough to promote wide use and mainstream adoption is required to address the following mappings: - From the authored domain of observation to the requested domain of interest; - From the authored spatiotemporal resolution to the requested resolution; and - From the representation of data placed on wide variety of discrete mesh types to the use of that data as a continuos field with a selectable continuity. The Open Geospatial Consortium's (OGC) Reference Model[1] with its direct association with the ISO 19000 series standards provides a comprehensive foundation to represent all data on any type of mesh structure, aka "Discrete Coverages". The Reference Model also provides the specification for the core operations required to utilize any Discrete Coverage. The FEniCS Project[2] provides a comprehensive model for how to represent the Basis Functions on mesh structures as "Degrees of Freedom" to present discrete data as continuous fields with variable continuity. In this talk, we will present the research and development the OOI Cyberinfrastructure Project is pursuing to integrate these approaches into a comprehensive Application Programming Interface (API) to author, acquire and operate on the broad range of data formulation from time series, trajectories and tables through to time variant finite difference grids and finite element meshes.

Review: To be or not to be an identifiable model. Is this a relevant question in animal science modelling?

PubMed

Muñoz-Tamayo, R; Puillet, L; Daniel, J B; Sauvant, D; Martin, O; Taghipoor, M; Blavy, P

2018-04-01

What is a good (useful) mathematical model in animal science? For models constructed for prediction purposes, the question of model adequacy (usefulness) has been traditionally tackled by statistical analysis applied to observed experimental data relative to model-predicted variables. However, little attention has been paid to analytic tools that exploit the mathematical properties of the model equations. For example, in the context of model calibration, before attempting a numerical estimation of the model parameters, we might want to know if we have any chance of success in estimating a unique best value of the model parameters from available measurements. This question of uniqueness is referred to as structural identifiability; a mathematical property that is defined on the sole basis of the model structure within a hypothetical ideal experiment determined by a setting of model inputs (stimuli) and observable variables (measurements). Structural identifiability analysis applied to dynamic models described by ordinary differential equations (ODEs) is a common practice in control engineering and system identification. This analysis demands mathematical technicalities that are beyond the academic background of animal science, which might explain the lack of pervasiveness of identifiability analysis in animal science modelling. To fill this gap, in this paper we address the analysis of structural identifiability from a practitioner perspective by capitalizing on the use of dedicated software tools. Our objectives are (i) to provide a comprehensive explanation of the structural identifiability notion for the community of animal science modelling, (ii) to assess the relevance of identifiability analysis in animal science modelling and (iii) to motivate the community to use identifiability analysis in the modelling practice (when the identifiability question is relevant). We focus our study on ODE models. By using illustrative examples that include published mathematical models describing lactation in cattle, we show how structural identifiability analysis can contribute to advancing mathematical modelling in animal science towards the production of useful models and, moreover, highly informative experiments via optimal experiment design. Rather than attempting to impose a systematic identifiability analysis to the modelling community during model developments, we wish to open a window towards the discovery of a powerful tool for model construction and experiment design.

Control of optical systems

NASA Technical Reports Server (NTRS)

Founds, D.

1988-01-01

Some of the current and planned activities at the Air Force Systems Command in structures and controls for optical-type systems are summarized. Many of the activities are contracted to industry; one task is an in-house program which includes a hardware test program. The objective of the in-house program, referred to as the Aluminum Beam Expander Structure (ABES), is to address issues involved in on-orbit system identification. The structure, which appears similar to the LDR backup structure, is about 35 feet tall. The activity to date has been limited to acquisition of about 250 hours of test data. About 30 hours of data per excitation force is gathered in order to obtain sufficient data for a good statistical estimate of the structural parameters. The development of an Integrated Structural Modeling (ISM) computer program is being done by Boeing Aerospace Company. The objective of the contracted effort is to develop a combined optics, structures, thermal, controls, and multibody dynamics simulation code.

Uncertainty Propagation of Non-Parametric-Derived Precipitation Estimates into Multi-Hydrologic Model Simulations

NASA Astrophysics Data System (ADS)

Bhuiyan, M. A. E.; Nikolopoulos, E. I.; Anagnostou, E. N.

2017-12-01

Quantifying the uncertainty of global precipitation datasets is beneficial when using these precipitation products in hydrological applications, because precipitation uncertainty propagation through hydrologic modeling can significantly affect the accuracy of the simulated hydrologic variables. In this research the Iberian Peninsula has been used as the study area with a study period spanning eleven years (2000-2010). This study evaluates the performance of multiple hydrologic models forced with combined global rainfall estimates derived based on a Quantile Regression Forests (QRF) technique. In QRF technique three satellite precipitation products (CMORPH, PERSIANN, and 3B42 (V7)); an atmospheric reanalysis precipitation and air temperature dataset; satellite-derived near-surface daily soil moisture data; and a terrain elevation dataset are being utilized in this study. A high-resolution, ground-based observations driven precipitation dataset (named SAFRAN) available at 5 km/1 h resolution is used as reference. Through the QRF blending framework the stochastic error model produces error-adjusted ensemble precipitation realizations, which are used to force four global hydrological models (JULES (Joint UK Land Environment Simulator), WaterGAP3 (Water-Global Assessment and Prognosis), ORCHIDEE (Organizing Carbon and Hydrology in Dynamic Ecosystems) and SURFEX (Stands for Surface Externalisée) ) to simulate three hydrologic variables (surface runoff, subsurface runoff and evapotranspiration). The models are forced with the reference precipitation to generate reference-based hydrologic simulations. This study presents a comparative analysis of multiple hydrologic model simulations for different hydrologic variables and the impact of the blending algorithm on the simulated hydrologic variables. Results show how precipitation uncertainty propagates through the different hydrologic model structures to manifest in reduction of error in hydrologic variables.

Observability of satellite launcher navigation with INS, GPS, attitude sensors and reference trajectory

NASA Astrophysics Data System (ADS)

Beaudoin, Yanick; Desbiens, André; Gagnon, Eric; Landry, René

2018-01-01

The navigation system of a satellite launcher is of paramount importance. In order to correct the trajectory of the launcher, the position, velocity and attitude must be known with the best possible precision. In this paper, the observability of four navigation solutions is investigated. The first one is the INS/GPS couple. Then, attitude reference sensors, such as magnetometers, are added to the INS/GPS solution. The authors have already demonstrated that the reference trajectory could be used to improve the navigation performance. This approach is added to the two previously mentioned navigation systems. For each navigation solution, the observability is analyzed with different sensor error models. First, sensor biases are neglected. Then, sensor biases are modelled as random walks and as first order Markov processes. The observability is tested with the rank and condition number of the observability matrix, the time evolution of the covariance matrix and sensitivity to measurement outlier tests. The covariance matrix is exploited to evaluate the correlation between states in order to detect structural unobservability problems. Finally, when an unobservable subspace is detected, the result is verified with theoretical analysis of the navigation equations. The results show that evaluating only the observability of a model does not guarantee the ability of the aiding sensors to correct the INS estimates within the mission time. The analysis of the covariance matrix time evolution could be a powerful tool to detect this situation, however in some cases, the problem is only revealed with a sensitivity to measurement outlier test. None of the tested solutions provide GPS position bias observability. For the considered mission, the modelling of the sensor biases as random walks or Markov processes gives equivalent results. Relying on the reference trajectory can improve the precision of the roll estimates. But, in the context of a satellite launcher, the roll estimation error and gyroscope bias are only observable if attitude reference sensors are present.

Insights from intercomparison of microbial and conventional soil models

NASA Astrophysics Data System (ADS)

Allison, S. D.; Li, J.; Luo, Y.; Mayes, M. A.; Wang, G.

2014-12-01

Changing the structure of soil biogeochemical models to represent coupling between microbial biomass and carbon substrate pools could improve predictions of carbon-climate feedbacks. So-called "microbial models" with this structure make very different predictions from conventional models based on first-order decay of carbon substrate pools. Still, the value of microbial models is uncertain because microbial physiological parameters are poorly constrained and model behaviors have not been fully explored. To address these issues, we developed an approach for inter-comparing microbial and conventional models. We initially focused on soil carbon responses to microbial carbon use efficiency (CUE) and temperature. Three scenarios were implemented in all models at a common reference temperature (20°C): constant CUE (held at 0.31), varied CUE (-0.016°C-1), and 50% acclimated CUE (-0.008°C-1). Whereas the conventional model always showed soil carbon losses with increasing temperature, the microbial models each predicted a temperature threshold above which warming led to soil carbon gain. The location of this threshold depended on CUE scenario, with higher temperature thresholds under the acclimated and constant scenarios. This result suggests that the temperature sensitivity of CUE and the structure of the soil carbon model together regulate the long-term soil carbon response to warming. Compared to the conventional model, all microbial models showed oscillatory behavior in response to perturbations and were much less sensitive to changing inputs. Oscillations were weakest in the most complex model with explicit enzyme pools, suggesting that multi-pool coupling might be a more realistic representation of the soil system. This study suggests that model structure and CUE parameterization should be carefully evaluated when scaling up microbial models to ecosystems and the globe.

Structural features that predict real-value fluctuations of globular proteins

PubMed Central

Jamroz, Michal; Kolinski, Andrzej; Kihara, Daisuke

2012-01-01

It is crucial to consider dynamics for understanding the biological function of proteins. We used a large number of molecular dynamics trajectories of non-homologous proteins as references and examined static structural features of proteins that are most relevant to fluctuations. We examined correlation of individual structural features with fluctuations and further investigated effective combinations of features for predicting the real-value of residue fluctuations using the support vector regression. It was found that some structural features have higher correlation than crystallographic B-factors with fluctuations observed in molecular dynamics trajectories. Moreover, support vector regression that uses combinations of static structural features showed accurate prediction of fluctuations with an average Pearson’s correlation coefficient of 0.669 and a root mean square error of 1.04 Å. This correlation coefficient is higher than the one observed for the prediction by the Gaussian network model. An advantage of the developed method over the Gaussian network models is that the former predicts the real-value of fluctuation. The results help improve our understanding of relationships between protein structure and fluctuation. Furthermore, the developed method provides a convienient practial way to predict fluctuations of proteins using easily computed static structural features of proteins. PMID:22328193

High-resolution surface wave tomography of the European crust and uppermost mantle from ambient seismic noise

NASA Astrophysics Data System (ADS)

Lu, Yang; Stehly, Laurent; Paul, Anne; AlpArray Working Group

2018-05-01

Taking advantage of the large number of seismic stations installed in Europe, in particular in the greater Alpine region with the AlpArray experiment, we derive a new high-resolution 3-D shear-wave velocity model of the European crust and uppermost mantle from ambient noise tomography. The correlation of up to four years of continuous vertical-component seismic recordings from 1293 broadband stations (10° W-35° E, 30° N-75° N) provides Rayleigh wave group velocity dispersion data in the period band 5-150 s at more than 0.8 million virtual source-receiver pairs. Two-dimensional Rayleigh wave group velocity maps are estimated using adaptive parameterization to accommodate the strong heterogeneity of path coverage. A probabilistic 3-D shear-wave velocity model, including probability densities for the depth of layer boundaries and S-wave velocity values, is obtained by non-linear Bayesian inversion. A weighted average of the probabilistic model is then used as starting model for the linear inversion step, providing the final Vs model. The resulting S-wave velocity model and Moho depth are validated by comparison with previous geophysical studies. Although surface-wave tomography is weakly sensitive to layer boundaries, vertical cross-sections through our Vs model and the associated probability of presence of interfaces display striking similarities with reference controlled-source (CSS) and receiver-function sections across the Alpine belt. Our model even provides new structural information such as a ˜8 km Moho jump along the CSS ECORS-CROP profile that was not imaged by reflection data due to poor penetration across a heterogeneous upper crust. Our probabilistic and final shear wave velocity models have the potential to become new reference models of the European crust, both for crustal structure probing and geophysical studies including waveform modeling or full waveform inversion.

Hydrous ferric oxide: evaluation of Cd-HFO surface complexation models combining Cd(K) EXAFS data, potentiometric titration results, and surface site structures identified from mineralogical knowledge.

PubMed

Spadini, Lorenzo; Schindler, Paul W; Charlet, Laurent; Manceau, Alain; Vala Ragnarsdottir, K

2003-10-01

The surface properties of ferrihydrite were studied by combining wet chemical data, Cd(K) EXAFS data, and a surface structure and protonation model of the ferrihydrite surface. Acid-base titration experiments and Cd(II)-ferrihydrite sorption experiments were performed within 3<-log[H(+)]<10.5 and 0.5<[Cd(t)]<12 mM in 0.3 M NaClO(4) at 25 degrees C, where [Cd(t)] refers to total Cd concentration. Measurements at -5.5triple bond Fe-OH(-1/2),logk((int))=-8.29, assuming the existence of a unique intrinsic microscopic constant, logk((int)), and consequently the existence of a single significant type of acid-base reactive functional groups. The surface structure model indicates that these groups are terminal water groups. The Cd(II) data were modeled assuming the existence of a single reactive site. The model fits the data set at low Cd(II) concentration and up to 50% surface coverage. At high coverage more Cd(II) ions than predicted are adsorbed, which is indicative of the existence of a second type of site of lower affinity. This agrees with the surface structure and protonation model developed, which indicates comparable concentrations of high- and low-affinity sites. The model further shows that for each class of low- and high-affinity sites there exists a variety of corresponding Cd surface complex structure, depending on the model crystal faces on which the complexes develop. Generally, high-affinity surface structures have surface coordinations of 3 and 4, as compared to 1 and 2 for low-affinity surface structures.

Historical considerations in evaluating timber structures

Treesearch

R. L. Tuomi; R. C. Moody

1979-01-01

Evaluation, maintenance, and upgrading of timber structures is an area where little printed reference material exists. This paper covers the state-of-the-art on design, material properties, and construction procedures on older buildings. Some guidelines are presented on rehabilitating and upgrading timber structures, along with significant references.

Virtual screening and rational drug design method using structure generation system based on 3D-QSAR and docking.

PubMed

Chen, H F; Dong, X C; Zen, B S; Gao, K; Yuan, S G; Panaye, A; Doucet, J P; Fan, B T

2003-08-01

An efficient virtual and rational drug design method is presented. It combines virtual bioactive compound generation with 3D-QSAR model and docking. Using this method, it is possible to generate a lot of highly diverse molecules and find virtual active lead compounds. The method was validated by the study of a set of anti-tumor drugs. With the constraints of pharmacophore obtained by DISCO implemented in SYBYL 6.8, 97 virtual bioactive compounds were generated, and their anti-tumor activities were predicted by CoMFA. Eight structures with high activity were selected and screened by the 3D-QSAR model. The most active generated structure was further investigated by modifying its structure in order to increase the activity. A comparative docking study with telomeric receptor was carried out, and the results showed that the generated structures could form more stable complexes with receptor than the reference compound selected from experimental data. This investigation showed that the proposed method was a feasible way for rational drug design with high screening efficiency.

Nonlinear aeroacoustic characterization of Helmholtz resonators with a local-linear neuro-fuzzy network model

NASA Astrophysics Data System (ADS)

Förner, K.; Polifke, W.

2017-10-01

The nonlinear acoustic behavior of Helmholtz resonators is characterized by a data-based reduced-order model, which is obtained by a combination of high-resolution CFD simulation and system identification. It is shown that even in the nonlinear regime, a linear model is capable of describing the reflection behavior at a particular amplitude with quantitative accuracy. This observation motivates to choose a local-linear model structure for this study, which consists of a network of parallel linear submodels. A so-called fuzzy-neuron layer distributes the input signal over the linear submodels, depending on the root mean square of the particle velocity at the resonator surface. The resulting model structure is referred to as an local-linear neuro-fuzzy network. System identification techniques are used to estimate the free parameters of this model from training data. The training data are generated by CFD simulations of the resonator, with persistent acoustic excitation over a wide range of frequencies and sound pressure levels. The estimated nonlinear, reduced-order models show good agreement with CFD and experimental data over a wide range of amplitudes for several test cases.

Box Tomography: An efficient tomographic method for imaging localized structures in the deep Earth

NASA Astrophysics Data System (ADS)

Masson, Yder; Romanowicz, Barbara

2017-04-01

The accurate imaging of localized geological structures inside the deep Earth is key to understand our planet and its history. Since the introduction of the Preliminary Reference Earth Model, many generations of global tomographic models have been developed and give us access to the 3D structure of the Earth's interior. The latest generation of global tomographic models has emerged with the development of accurate numerical wavefield computations in a 3D earth combined with access to enhanced HPC capabilities. These models have sharpened up mantle images and unveiled relatively small scale structures that were blurred out in previous generation models. Fingerlike structures have been found at the base of the oceanic asthenosphere, and vertically oriented broad low velocity plume conduits [1] extend throughout the lower mantle beneath those major hotspots that are located within the perimeter of the deep mantle large low shear velocity provinces (LLSVPs). While providing new insights into our understanding of mantle dynamics, the detailed morphology of these features requires further efforts to obtain higher resolution images. In recent years, we developed a theoretical framework [2][3] for the tomographic imaging of localised geological structures buried inside the Earth, where no seismic sources nor receivers are necessarily present. We call this "box tomography" [4]. The essential difference between box-tomography and standard tomographic methods is that the numerical modeling (i.e. the raytracing in travel time tomography and the wave propagation in waveform tomography or full waveform inversion) is completely confined within the small box-region imaged. Thus, box tomography is a lot more efficient than global tomography (i.e. where we invert for the velocity in the larger volume that encompasses all the sources and receivers), for imaging localised objects. We present 2D and 3D examples showing that box tomography can be employed for imaging structures present within the D'' region at the base of the mantle. Further, we show that box-tomography performs well even in the difficult situation where the velocity distribution in the mantle above the target structure is not known a-priori. REFERENCES [1] French, S. W. and B. Romanowicz (2015) Broad Plumes at the base of the mantle beneath major hotspots, Nature, 525, 95-99 [2] Masson, Y., Cupillard, P., Capdeville, Y., & Romanowicz, B. (2013). On the numerical implementation of time-reversal mirrors for tomographic imaging. Geophysical Journal International, ggt459. [3] Masson, Y., & Romanowicz, B. (2017). Fast computation of synthetic seismograms within a medium containing remote localized perturbations: a numerical solution to the scattering problem. Geophysical Journal International, 208(2), 674-692. [4] Masson, Y., & Romanowicz, B. (2017). Box Tomography: Localised imaging of remote targets buried in an unknown medium, a step forward for understanding key structures in the deep Earth. Geophysical Journal International, (under review).

Solid State Research

DTIC Science & Technology

1990-05-15

reference to indicate the exact time of the transmitted pulse. The returned pulses are detected using a four - quadrant photomultiplie tube, and each quadrant ...1990) Nondegencrate Four -Wave Mixing K.B. Nichols DTIC AD-A221419 in AlGaAs Waveguides W.D. Goodhue Wafer Fusion: A Novel Technique Z.L. Liau Appl...Annealing H.J. Zeiger (1990) of Etched Compound Semiconductor Structures: Theoretical Modeling and Experimental Confirmation Programmable, Four -Channel

Item Response Modeling of Presence-Severity Items: Application to Measurement of Patient-Reported Outcomes

ERIC Educational Resources Information Center

Liu, Ying; Verkuilen, Jay

2013-01-01

The Presence-Severity (P-S) format refers to a compound item structure in which a question is first asked to check the presence of the particular event in question. If the respondent provides an affirmative answer, a follow-up is administered, often about the frequency, density, severity, or impact of the event. Despite the popularity of the P-S…

A Bifactor Model of Negative Affectivity: Fear and Distress Components among Younger and Older Youth

ERIC Educational Resources Information Center

Ebesutani, Chad; Smith, Ashley; Bernstein, Adam; Chorpita, Bruce F.; Higa-McMillan, Charmaine; Nakamura, Brad

2011-01-01

The Positive and Negative Affect Schedule for Children (PANAS-C) is a 27-item youth-report measure of positive affectivity and negative affectivity. Using 2 large school-age youth samples (clinic-referred sample: N = 662; school-based sample: N = 911), in the present study, we thoroughly examined the structure of the PANAS-C NA and PA scales and…