Sibutramine characterization and solubility, a theoretical study

NASA Astrophysics Data System (ADS)

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

2013-04-01

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

HIGH-TEMPERATURE, SHORT-TIME SULFATION OF CALCIUM- BASED SORBENTS. 2. EXPERIMENTAL DATA AND THEORETICAL MODEL PREDICTIONS

EPA Science Inventory

The fundamental processes for injection of CaCO3 and Ca(OH)2 for the removal of SO2 from combustion gases of coal-fired boilers are analyzed on the basis of experimental data and a comprehensive theoretical model. Sulfation data were obtained in a 30-kW isothermal gas-particle t...

Analysis of the Cape Cod tracer data

USGS Publications Warehouse

Ezzedine, Souheil; Rubin, Yoram

1997-01-01

An analysis of the Cape Cod test was performed using several first- and higher-order theoretical models. We compare conditional and unconditional solutions of the transport equation and employ them for analysis of the experimental data. We consider spatial moments, mass breakthrough curves, and the distribution of the solute mass in space. The concentration measurements were also analyzed using theoretical models for the expected value and variance of concentration. The theoretical models we employed are based on the spatial correlation structure of the conductivity field, without any fitting of parameters to the tracer data, and hence we can test the predictive power of the theories tested. The effects of recharge on macrodispersion are investigated, and it is shown that recharge provides a reasonable explanation for the enhanced lateral spread of the Cape Cod plume. The compendium of the experimental results presented here is useful for testing of theoretical and numerical models.

Theoretical predictor for candidate structure assignment from IMS data of biomolecule-related conformational space.

PubMed

Schenk, Emily R; Nau, Frederic; Fernandez-Lima, Francisco

2015-06-01

The ability to correlate experimental ion mobility data with candidate structures from theoretical modeling provides a powerful analytical and structural tool for the characterization of biomolecules. In the present paper, a theoretical workflow is described to generate and assign candidate structures for experimental trapped ion mobility and H/D exchange (HDX-TIMS-MS) data following molecular dynamics simulations and statistical filtering. The applicability of the theoretical predictor is illustrated for a peptide and protein example with multiple conformations and kinetic intermediates. The described methodology yields a low computational cost and a simple workflow by incorporating statistical filtering and molecular dynamics simulations. The workflow can be adapted to different IMS scenarios and CCS calculators for a more accurate description of the IMS experimental conditions. For the case of the HDX-TIMS-MS experiments, molecular dynamics in the "TIMS box" accounts for a better sampling of the molecular intermediates and local energy minima.

Accurate Theoretical Methane Line Lists in the Infrared up to 3000 K and Quasi-continuum Absorption/Emission Modeling for Astrophysical Applications

NASA Astrophysics Data System (ADS)

Rey, Michael; Nikitin, Andrei V.; Tyuterev, Vladimir G.

2017-10-01

Modeling atmospheres of hot exoplanets and brown dwarfs requires high-T databases that include methane as the major hydrocarbon. We report a complete theoretical line list of 12CH4 in the infrared range 0-13,400 cm-1 up to T max = 3000 K computed via a full quantum-mechanical method from ab initio potential energy and dipole moment surfaces. Over 150 billion transitions were generated with the lower rovibrational energy cutoff 33,000 cm-1 and intensity cutoff down to 10-33 cm/molecule to ensure convergent opacity predictions. Empirical corrections for 3.7 million of the strongest transitions permitted line position accuracies of 0.001-0.01 cm-1. Full data are partitioned into two sets. “Light lists” contain strong and medium transitions necessary for an accurate description of sharp features in absorption/emission spectra. For a fast and efficient modeling of quasi-continuum cross sections, billions of tiny lines are compressed in “super-line” libraries according to Rey et al. These combined data will be freely accessible via the TheoReTS information system (http://theorets.univ-reims.fr, http://theorets.tsu.ru), which provides a user-friendly interface for simulations of absorption coefficients, cross-sectional transmittance, and radiance. Comparisons with cold, room, and high-T experimental data show that the data reported here represent the first global theoretical methane lists suitable for high-resolution astrophysical applications.

Theoretical Calculations of Atomic Data for Spectroscopy

NASA Technical Reports Server (NTRS)

Bautista, Manuel A.

2000-01-01

Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of various levels of accuracy. This paper presents a review of these theoretical methods to help non-experts in atomic physics to better understand the qualities and limitations of various data sources and assess how reliable are spectral models based on those data.

Data, Methods, and Theoretical Implications

ERIC Educational Resources Information Center

Hannagan, Rebecca J.; Schneider, Monica C.; Greenlee, Jill S.

2012-01-01

Within the subfields of political psychology and the study of gender, the introduction of new data collection efforts, methodologies, and theoretical approaches are transforming our understandings of these two fields and the places at which they intersect. In this article we present an overview of the research that was presented at a National…

Comparison of experimental surface pressures with theoretical predictions on twin two-dimensional convergent-divergent nozzles

NASA Technical Reports Server (NTRS)

Carlson, J. R.; Pendergraft, O. C., Jr.; Burley, J. R., II

1986-01-01

A three-dimensional subsonic aerodynamic panel code (VSAERO) was used to predict the effects of upper and lower external nozzle flap geometry on the external afterbody/nozzle pressure coefficient distributions and external nozzle drag of nonaxisymmetric convergent-divergent exhaust nozzles having parallel external sidewalls installed on a generic twin-engine high performance aircraft model. Nozzle static pressure coefficient distributions along the upper and lower surfaces near the model centerline and near the outer edges (corner) of the two surfaces were calculated, and nozzle drag was predicted using these surface pressure distributions. A comparison between the theoretical predictions and experimental wind tunnel data is made to evaluate the utility of the code in calculating the flow about these types of non-axisymmetric afterbody configurations. For free-stream Mach numbers of 0.60 and 0.90, the conditions where the flows were attached on the boattails yielded the best comparison between the theoretical predictions and the experimental data. For the Boattail terminal angles of greater than 15 deg., the experimental data for M = 0.60 and 0.90 indicated areas of separated flow, so the theoretical predictions failed to match the experimental data. Even though calculations of regions of separated flows are within the capabilities of the theoretical method, acceptable solutions were not obtained.

Theoretical Conversions of Different Hardness and Tensile Strength for Ductile Materials Based on Stress-Strain Curves

NASA Astrophysics Data System (ADS)

Chen, Hui; Cai, Li-Xun

2018-04-01

Based on the power-law stress-strain relation and equivalent energy principle, theoretical equations for converting between Brinell hardness (HB), Rockwell hardness (HR), and Vickers hardness (HV) were established. Combining the pre-existing relation between the tensile strength ( σ b ) and Hollomon parameters ( K, N), theoretical conversions between hardness (HB/HR/HV) and tensile strength ( σ b ) were obtained as well. In addition, to confirm the pre-existing σ b -( K, N) relation, a large number of uniaxial tensile tests were conducted in various ductile materials. Finally, to verify the theoretical conversions, plenty of statistical data listed in ASTM and ISO standards were adopted to test the robustness of the converting equations with various hardness and tensile strength. The results show that both hardness conversions and hardness-strength conversions calculated from the theoretical equations accord well with the standard data.

Penetration with Long Rods: A Theoretical Framework and Comparison with Instrumented Impacts,

DTIC Science & Technology

1980-06-01

theoretical framework for an experimental program is described. The theory of one dimensional wave propagation is used to show how data from instrumented long rods and targets may be fitted together to give a...the theoretical framework . In the final section the results to date are discussed.

Perspectives on Policy and the Value of Nursing Science in a Big Data Era.

PubMed

Gephart, Sheila M; Davis, Mary; Shea, Kimberly

2018-01-01

As data volume explodes, nurse scientists grapple with ways to adapt to the big data movement without jeopardizing its epistemic values and theoretical focus that celebrate while acknowledging the authority and unity of its body of knowledge. In this article, the authors describe big data and emphasize ways that nursing science brings value to its study. Collective nursing voices that call for more nursing engagement in the big data era are answered with ways to adapt and integrate theoretical and domain expertise from nursing into data science.

Penetration with Long Rods: A Theoretical Framework and Comparison with Instrumented Impacts

DTIC Science & Technology

1981-05-01

program to begin probing the details of the interaction process. The theoretical framework underlying such a program is explained in detail. The theory of...of the time sequence of events during penetration. Data from one series of experiments, reported in detail elsewhere, is presented and discussed within the theoretical framework .

Teachers' Theoretical Orientations toward Reading and Pupil Control Ideology: A National Survey.

ERIC Educational Resources Information Center

Morrison, Timothy G.; Wilcox, Brad; Madrigal, J. L.; Roberts, Susan; Hintze, Eric

1999-01-01

Examines relationships between 418 elementary school teachers' theoretical beliefs toward reading instruction and their attitudes about pupil control. Uses the Theoretical Orientation to Reading Profile (TORP) and the Pupil Control Ideology Form (PCI) for data collection. Finds as teachers' scores moved toward the whole language end of the TORP…

An empirical investigation of theoretical loss and gambling intensity.

PubMed

Auer, Michael; Griffiths, Mark D

2014-12-01

Many recent studies of internet gambling-particularly those that have analysed behavioural tracking data-have used variables such 'bet size' and 'number of games played' as proxy measures for 'gambling intensity'. In this paper it is argued that the most stable and reliable measure for 'gambling intensity' is the 'theoretical loss' (a product of total bet size and house advantage). In the long run, the theoretical loss corresponds with the Gross Gaming Revenue generated by commercial gaming operators. For shorter periods of time, theoretical loss is the most stable measure of gambling intensity as it is not distorted by gamblers' occasional wins. Even for single bets, the theoretical loss reflects the amount a player is willing to risk. Using behavioural tracking data of 100,000 players who played online casino, lottery and/or poker games, this paper also demonstrates that bet size does not equate to or explain theoretical loss as it does not take into account the house advantage. This lack of accuracy is shown to be even more pronounced for gamblers who play a variety of games.

Application of Information-Theoretic Data Mining Techniques in a National Ambulatory Practice Outcomes Research Network

PubMed Central

Wright, Adam; Ricciardi, Thomas N.; Zwick, Martin

2005-01-01

The Medical Quality Improvement Consortium data warehouse contains de-identified data on more than 3.6 million patients including their problem lists, test results, procedures and medication lists. This study uses reconstructability analysis, an information-theoretic data mining technique, on the MQIC data warehouse to empirically identify risk factors for various complications of diabetes including myocardial infarction and microalbuminuria. The risk factors identified match those risk factors identified in the literature, demonstrating the utility of the MQIC data warehouse for outcomes research, and RA as a technique for mining clinical data warehouses. PMID:16779156

Accurate Theoretical Methane Line Lists in the Infrared up to 3000 K and Quasi-continuum Absorption/Emission Modeling for Astrophysical Applications

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

Rey, Michael; Tyuterev, Vladimir G.; Nikitin, Andrei V., E-mail: michael.rey@univ-reims.fr

Modeling atmospheres of hot exoplanets and brown dwarfs requires high- T databases that include methane as the major hydrocarbon. We report a complete theoretical line list of {sup 12}CH{sub 4} in the infrared range 0–13,400 cm{sup −1} up to T {sub max} = 3000 K computed via a full quantum-mechanical method from ab initio potential energy and dipole moment surfaces. Over 150 billion transitions were generated with the lower rovibrational energy cutoff 33,000 cm{sup −1} and intensity cutoff down to 10{sup −33} cm/molecule to ensure convergent opacity predictions. Empirical corrections for 3.7 million of the strongest transitions permitted line positionmore » accuracies of 0.001–0.01 cm{sup −1}. Full data are partitioned into two sets. “Light lists” contain strong and medium transitions necessary for an accurate description of sharp features in absorption/emission spectra. For a fast and efficient modeling of quasi-continuum cross sections, billions of tiny lines are compressed in “super-line” libraries according to Rey et al. These combined data will be freely accessible via the TheoReTS information system (http://theorets.univ-reims.fr, http://theorets.tsu.ru), which provides a user-friendly interface for simulations of absorption coefficients, cross-sectional transmittance, and radiance. Comparisons with cold, room, and high- T experimental data show that the data reported here represent the first global theoretical methane lists suitable for high-resolution astrophysical applications.« less

[Theoretical and methodological uses of research in Social and Human Sciences in Health].

PubMed

Deslandes, Suely Ferreira; Iriart, Jorge Alberto Bernstein

2012-12-01

The current article aims to map and critically reflect on the current theoretical and methodological uses of research in the subfield of social and human sciences in health. A convenience sample was used to select three Brazilian public health journals. Based on a reading of 1,128 abstracts published from 2009 to 2010, 266 articles were selected that presented the empirical base of research stemming from social and human sciences in health. The sample was classified thematically as "theoretical/ methodological reference", "study type/ methodological design", "analytical categories", "data production techniques", and "analytical procedures". We analyze the sample's emic categories, drawing on the authors' literal statements. All the classifications and respective variables were tabulated in Excel. Most of the articles were self-described as qualitative and used more than one data production technique. There was a wide variety of theoretical references, in contrast with the almost total predominance of a single type of data analysis (content analysis). In several cases, important gaps were identified in expounding the study methodology and instrumental use of the qualitative research techniques and methods. However, the review did highlight some new objects of study and innovations in theoretical and methodological approaches.

Transactors, Transformers and Beyond. A Multi-Method Development of a Theoretical Typology of Leadership.

ERIC Educational Resources Information Center

Pearce, Craig L.; Sims, Henry P., Jr.; Cox, Jonathan F.; Ball, Gail; Schnell, Eugene; Smith, Ken A.; Trevino, Linda

2003-01-01

To extend the transactional-transformational model of leadership, four theoretical behavioral types of leadership were developed based on literature review and data from studies of executive behavior (n=253) and subordinate attitudes (n=208). Confirmatory factor analysis of a third data set (n=702) support the existence of four leadership types:…

Examining Theoretical Predictors of Substance Use among a Sample of Incarcerated Youth

ERIC Educational Resources Information Center

Cooper, Kelly; May, David; Soderstrom, Irina; Jarjoura, G. Roger

2009-01-01

A wide variety of theoretical perspectives have been found to have an association with substance abuse. Most of these studies use data from samples of public school students and thus capture only part of the youth population. Using data from approximately 800 delinquents incarcerated in a Midwestern state, we examine the association between…

Dissolved-solids loads discharged from irrigated areas near Manila, Utah, May 2007-October 2012, and relation of loads to selected variables

USGS Publications Warehouse

Thiros, Susan A.; Gerner, Steven J.

2015-01-01

Irrigation improvements began to be implemented in 2007 to reduce dissolved-solids loads discharged from the MWSP area. The theoretical annual net dissolved-solids load where the cumulative NRCS calculated dissolved-solids load reduction is added to the net MWSP dissolved-solids load is what would be expected if there was no irrigation improvement in the area associated with the MWSP. The theoretical data points lie very near the baseline representing the pre-MWSP dissolved-solids load to canal streamflow relation. The proximity of the theoretical data points to the baseline shows that the NRCS calculations of reduction in dissolved-solids load are generally supported by the data collected during this study.

Conducting Human Research

DTIC Science & Technology

2009-08-05

Socio-cultural data acquisition, extraction, and management.??? First the idea of a theoretical framework will be very briefly discussed as well as...SUBJECT TERMS human behavior, theoretical framework , hypothesis development, experimental design, ethical research, statistical power, human laboratory...who throw rocks? • How can we make them stay too far away to throw rocks? UNCLASSIFIED – Approved for Public Release Theoretical Framework / Conceptual

Wave propagation in graphite/epoxy laminates due to impact

NASA Technical Reports Server (NTRS)

Tan, T. M.; Sun, C. T.

1982-01-01

The low velocity impact response of graphite-epoxy laminates is investigated theoretically and experimentally. A nine-node isoparametric finite element in conjunction with an empirical contact law was used for the theoretical investigation. Flat laminates subjected to pendulum impact were used for the experimental investigation. Theoretical results are in good agreement with strain gage experimental data. The collective results of the investigation indicate that the theoretical procedure describes the impact response of the laminate up to about 150 in/sec. impact velocity.

Within tree variation of lignin, extractives, and microfibril angle coupled with the theoretical and near infrared modeling of microfibril angle

Treesearch

Brian K. Via; chi L. So; Leslie H. Groom; Todd F. Shupe; michael Stine; Jan Wikaira

2007-01-01

A theoretical model was built predicting the relationship between microfibril angle and lignin content at the Angstrom (A) level. Both theoretical and statistical examination of experimental data supports a square root transformation of lignin to predict microfibril angle. The experimental material used came from 10 longleaf pine (Pinus palustris)...

Statistical synthesis of contextual knowledge to increase the effectiveness of theory-based behaviour change interventions.

PubMed

Hanbury, Andria; Thompson, Carl; Mannion, Russell

2011-07-01

Tailored implementation strategies targeting health professionals' adoption of evidence-based recommendations are currently being developed. Research has focused on how to select an appropriate theoretical base, how to use that theoretical base to explore the local context, and how to translate theoretical constructs associated with the key factors found to influence innovation adoption into feasible and tailored implementation strategies. The reasons why an intervention is thought not to have worked are often cited as being: inappropriate choice of theoretical base; unsystematic development of the implementation strategies; and a poor evidence base to guide the process. One area of implementation research that is commonly overlooked is how to synthesize the data collected in a local context in order to identify what factors to target with the implementation strategies. This is suggested to be a critical process in the development of a theory-based intervention. The potential of multilevel modelling techniques to synthesize data collected at different hierarchical levels, for example, individual attitudes and team level variables, is discussed. Future research is needed to explore further the potential of multilevel modelling for synthesizing contextual data in implementation studies, as well as techniques for synthesizing qualitative and quantitative data.

Uncertainties and understanding of experimental and theoretical results regarding reactions forming heavy and superheavy nuclei

NASA Astrophysics Data System (ADS)

Giardina, G.; Mandaglio, G.; Nasirov, A. K.; Anastasi, A.; Curciarello, F.; Fazio, G.

2018-02-01

Experimental and theoretical results of the PCN fusion probability of reactants in the entrance channel and the Wsur survival probability against fission at deexcitation of the compound nucleus formed in heavy-ion collisions are discussed. The theoretical results for a set of nuclear reactions leading to formation of compound nuclei (CNs) with the charge number Z = 102- 122 reveal a strong sensitivity of PCN to the characteristics of colliding nuclei in the entrance channel, dynamics of the reaction mechanism, and excitation energy of the system. We discuss the validity of assumptions and procedures for analysis of experimental data, and also the limits of validity of theoretical results obtained by the use of phenomenological models. The comparison of results obtained in many investigated reactions reveals serious limits of validity of the data analysis and calculation procedures.

Comparison of predicted and measured low-speed performance of two 51 centimeter-diameter inlets at incidence angle

NASA Technical Reports Server (NTRS)

Albers, J. A.

1973-01-01

Theoretical and experimental internal flow characteristics of two 51-cm-diameter inlets are compared. Theoretical flow characteristics along the inlet surface were obtained from an axisymmetric potential flow and boundary layer analysis. The experimental data were obtained from low-speed tests of a high-bypass-ratio turbofan engine simulator. Comparisons between calculated internal surface pressure distributions and experimental data are presented for a free-system velocity of 45 m/sec and for incidence angles from 0 deg to 50 deg. Analysis of boundary layer separation on the inlet lip at incidence angle is the major emphasis of this report. Theoretical boundary layer shape factors, skin friction coefficients, and velocity profiles in the boundary layer are presented, along with the location of the transition region. Theoretical and experimental separation locations are also discussed.

Aerodynamic performance of high turning core turbine vanes in a two dimensional cascade

NASA Technical Reports Server (NTRS)

Schwab, J. R.

1982-01-01

Experimental and theoretical aerodynamic performance data are presented for four uncooled high turning core turbine vanes with exit angles of 74.9, 75.0, 77.5, and 79.6 degrees in a two dimensional cascade. Data for a more conservative 67.0 degree vane are included for comparison. Correction of the experimental aftermix kinetic energy losses to a common 0.100 centimeter trailing edge thickness yields a linear trend of increased loss from 0.020 to 0.025 as the vane exit angle increases from 67.0 to 79.6 degrees. The theoretical losses show a similar trend. The experimental and theoretical vane surface velocity distributions generally agree within approximately five percent, although the suction surface theoretical velocities are generally higher than the experimental velocities as the vane exit angle increases.

Finite grid radius and thickness effects on retarding potential analyzer measured suprathermal electron density and temperature

NASA Technical Reports Server (NTRS)

Knudsen, William C.

1992-01-01

The effect of finite grid radius and thickness on the electron current measured by planar retarding potential analyzers (RPAs) is analyzed numerically. Depending on the plasma environment, the current is significantly reduced below that which is calculated using a theoretical equation derived for an idealized RPA having grids with infinite radius and vanishingly small thickness. A correction factor to the idealized theoretical equation is derived for the Pioneer Venus (PV) orbiter RPA (ORPA) for electron gasses consisting of one or more components obeying Maxwell statistics. The error in density and temperature of Maxwellian electron distributions previously derived from ORPA data using the theoretical expression for the idealized ORPA is evaluated by comparing the densities and temperatures derived from a sample of PV ORPA data using the theoretical expression with and without the correction factor.

Theoretical and experimental studies on vibrational and nonlinear optic properties of guanidinium 3-nitrobenzoate. Differences and similarity between guanidinium 3-nitrobenzoate and guanidinium 4-nitrobenzoate complexes

NASA Astrophysics Data System (ADS)

Drozd, Marek

2018-03-01

According to literature data two structures of guanidine with nitrobenzoic acids are known. For guanidinium 4-nitrobenzoate the detailed studies of X-ray structure, vibrational and theoretical properties were performed. This compound was classified as second harmonic generator with efficiency of 3.3 times that KDP, standard crystal. On the contrary to mentioned above results for the guanidinium 3-nitrobenzoate the basic X-ray diffraction study was performed, only. On the basis of established crystallographic results, the detailed investigation of geometry and vibrational properties were made on the basis of theoretical calculation. According to this data the equilibrium geometry of investigated molecule was established. On the basis of this calculation the detailed computational studies of vibrational properties were performed. The theoretical IR and Raman frequencies, intensities and PED analysis are presented. Additionally, the NBO charges, HOMO and LUMO shapes and NLO properties of titled crystal were calculated. On the basis of these results the crystal was classified as second order generator in NLO but with bigger efficiency that guanidinium 4-nitorobenzoate compound. The obtained data are compared with experimental crystallographic and vibrational results for real crystal of guanidinium 3-nitrobenzoate. Additionally, the theoretical vibrational spectra are compared with literature calculations of guanidinium 4-nitrobenzoate compound.

A Lie-theoretic Description of the Solution Space of the tt*-Toda Equations

NASA Astrophysics Data System (ADS)

Guest, Martin A.; Ho, Nan-Kuo

2017-12-01

We give a Lie-theoretic explanation for the convex polytope which parametrizes the globally smooth solutions of the topological-antitopological fusion equations of Toda type (tt ∗-Toda equations) which were introduced by Cecotti and Vafa. It is known from Guest and Lin (J. Reine Angew. Math. 689, 1-32 2014) Guest et al. (It. Math. Res. Notices 2015, 11745-11784 2015) and Mochizuki (2013, 2014) that these solutions can be parametrized by monodromy data of a certain flat S L n+ 1 ℝ-connection. Using Boalch's Lie-theoretic description of Stokes data, and Steinberg's description of regular conjugacy classes of a linear algebraic group, we express this monodromy data as a convex subset of a Weyl alcove of S U n+ 1.

Level 2 Ancillary Products and Datasets Algorithm Theoretical Basis

NASA Technical Reports Server (NTRS)

Diner, D.; Abdou, W.; Gordon, H.; Kahn, R.; Knyazikhin, Y.; Martonchik, J.; McDonald, D.; McMuldroch, S.; Myneni, R.; West, R.

1999-01-01

This Algorithm Theoretical Basis (ATB) document describes the algorithms used to generate the parameters of certain ancillary products and datasets used during Level 2 processing of Multi-angle Imaging SpectroRadiometer (MIST) data.

Qualitative methods: beyond the cookbook.

PubMed

Harding, G; Gantley, M

1998-02-01

Qualitative methods appear increasingly in vogue in health services research (HSR). Such research, however, has utilized, often uncritically, a 'cookbook' of methods for data collection, and common-sense principles for data analysis. This paper argues that qualitative HSR benefits from recognizing and drawing upon theoretical principles underlying qualitative data collection and analysis. A distinction is drawn between problem-orientated and theory-orientated research, in order to illustrate how problem-orientated research would benefit from the introduction of theoretical perspectives in order to develop the knowledge base of health services research.

Analysis of NASA JP-4 fire tests data and development of a simple fire model

NASA Technical Reports Server (NTRS)

Raj, P.

1980-01-01

The temperature, velocity and species concentration data obtained during the NASA fire tests (3m, 7.5m and 15m diameter JP-4 fires) were analyzed. Utilizing the data analysis, a sample theoretical model was formulated to predict the temperature and velocity profiles in JP-4 fires. The theoretical model, which does not take into account the detailed chemistry of combustion, is capable of predicting the extent of necking of the fire near its base.

A preliminary analysis of the data from experiment 77-13 and final report on glass fining experiments in zero gravity

NASA Technical Reports Server (NTRS)

Wilcox, W. R.; Subramanian, R. S.; Meyyappan, M.; Smith, H. D.; Mattox, D. M.; Partlow, D. P.

1981-01-01

Thermal fining, thermal migration of bubbles under reduced gravity conditions, and data to verify current theoretical models of bubble location and temperatures as a function of time are discussed. A sample, sodium borate glass, was tested during 5 to 6 minutes of zero gravity during rocket flight. The test cell contained a heater strip; thermocouples were in the sample. At present quantitative data are insufficient to confirm results of theoretical calculations.

Workshop on Planning and Learning in Multi- Agent Environments

DTIC Science & Technology

2014-12-31

needed for translating the physical aspects of an interaction (see Section 3.1) into the numeric utility values needed for game -theoretic...calculations. Furthermore, the game -theoretic techniques themselves will require significant enhancements. Game -theoretic solution concepts (e.g., Nash...robotics. Real-time strategy games may provide useful data for research on predictive models of ad- versaries, modeling long-term and short-term plans

HgCdTe Surface Study Program

DTIC Science & Technology

1982-09-01

which the virtual crystal approximation breaks down using PES. This is well understood and was confirmed theoretically , working with Arden Sher of SRI...Quasistatic Capacitance of SiC on Hg07 Cd0 Te Treated with HF to Remove Native Oxide, Compared to Theoretical Curve...MIS devices show near ideal behav- ior. Figure I shows capacitance data taken quasistatically and at 1 MHz (dashed curves), compared to a theoretically

Statistics of the residual refraction errors in laser ranging data

NASA Technical Reports Server (NTRS)

Gardner, C. S.

1977-01-01

A theoretical model for the range error covariance was derived by assuming that the residual refraction errors are due entirely to errors in the meteorological data which are used to calculate the atmospheric correction. The properties of the covariance function are illustrated by evaluating the theoretical model for the special case of a dense network of weather stations uniformly distributed within a circle.

Model-theoretic framework for sensor data fusion

NASA Astrophysics Data System (ADS)

Zavoleas, Kyriakos P.; Kokar, Mieczyslaw M.

1993-09-01

The main goal of our research in sensory data fusion (SDF) is the development of a systematic approach (a methodology) to designing systems for interpreting sensory information and for reasoning about the situation based upon this information and upon available data bases and knowledge bases. To achieve such a goal, two kinds of subgoals have been set: (1) develop a theoretical framework in which rational design/implementation decisions can be made, and (2) design a prototype SDF system along the lines of the framework. Our initial design of the framework has been described in our previous papers. In this paper we concentrate on the model-theoretic aspects of this framework. We postulate that data are embedded in data models, and information processing mechanisms are embedded in model operators. The paper is devoted to analyzing the classes of model operators and their significance in SDF. We investigate transformation abstraction and fusion operators. A prototype SDF system, fusing data from range and intensity sensors, is presented, exemplifying the structures introduced. Our framework is justified by the fact that it provides modularity, traceability of information flow, and a basis for a specification language for SDF.

Theoretical and empirical bases for dialect-neutral language assessment: contributions from theoretical and applied linguistics to communication disorders.

PubMed

Pearson, Barbara Zurer

2004-02-01

Three avenues of theoretical research provide insights for discovering abstract properties of language that are subject to disorder and amenable to assessment: (1) the study of universal grammar and its acquisition; (2) descriptions of African American English (AAE) Syntax, Semantics, and Phonology within theoretical linguistics; and (3) the study of specific language impairment (SLI) cross-linguistically. Abstract linguistic concepts were translated into a set of assessment protocols that were used to establish normative data on language acquisition (developmental milestones) in typically developing AAE children ages 4 to 9 years. Testing AAE-speaking language impaired (LI) children and both typically developing (TD) and LI Mainstream American English (MAE)-learning children on these same measures provided the data to select assessments for which (1) TD MAE and AAE children performed the same, and (2) TD performance was reliably different from LI performance in both dialect groups.

Theoretical and observational constraints on Tachyon Inflation

NASA Astrophysics Data System (ADS)

Barbosa-Cendejas, Nandinii; De-Santiago, Josue; German, Gabriel; Hidalgo, Juan Carlos; Rigel Mora-Luna, Refugio

2018-03-01

We constrain several models in Tachyonic Inflation derived from the large-N formalism by considering theoretical aspects as well as the latest observational data. On the theoretical side, we assess the field range of our models by means of the excursion of the equivalent canonical field. On the observational side, we employ BK14+PLANCK+BAO data to perform a parameter estimation analysis as well as a Bayesian model selection to distinguish the most favoured models among all four classes here presented. We observe that the original potential V propto sech(T) is strongly disfavoured by observations with respect to a reference model with flat priors on inflationary observables. This realisation of Tachyon inflation also presents a large field range which may demand further quantum corrections. We also provide examples of potentials derived from the polynomial and the perturbative classes which are both statistically favoured and theoretically acceptable.

Rockfall travel distances theoretical distributions

NASA Astrophysics Data System (ADS)

Jaboyedoff, Michel; Derron, Marc-Henri; Pedrazzini, Andrea

2017-04-01

The probability of propagation of rockfalls is a key part of hazard assessment, because it permits to extrapolate the probability of propagation of rockfall either based on partial data or simply theoretically. The propagation can be assumed frictional which permits to describe on average the propagation by a line of kinetic energy which corresponds to the loss of energy along the path. But loss of energy can also be assumed as a multiplicative process or a purely random process. The distributions of the rockfall block stop points can be deduced from such simple models, they lead to Gaussian, Inverse-Gaussian, Log-normal or exponential negative distributions. The theoretical background is presented, and the comparisons of some of these models with existing data indicate that these assumptions are relevant. The results are either based on theoretical considerations or by fitting results. They are potentially very useful for rockfall hazard zoning and risk assessment. This approach will need further investigations.

Experimental and theoretical oscillator strengths of Mg I for accurate abundance analysis

NASA Astrophysics Data System (ADS)

Pehlivan Rhodin, A.; Hartman, H.; Nilsson, H.; Jönsson, P.

2017-02-01

Context. With the aid of stellar abundance analysis, it is possible to study the galactic formation and evolution. Magnesium is an important element to trace the α-element evolution in our Galaxy. For chemical abundance analysis, such as magnesium abundance, accurate and complete atomic data are essential. Inaccurate atomic data lead to uncertain abundances and prevent discrimination between different evolution models. Aims: We study the spectrum of neutral magnesium from laboratory measurements and theoretical calculations. Our aim is to improve the oscillator strengths (f-values) of Mg I lines and to create a complete set of accurate atomic data, particularly for the near-IR region. Methods: We derived oscillator strengths by combining the experimental branching fractions with radiative lifetimes reported in the literature and computed in this work. A hollow cathode discharge lamp was used to produce free atoms in the plasma and a Fourier transform spectrometer recorded the intensity-calibrated high-resolution spectra. In addition, we performed theoretical calculations using the multiconfiguration Hartree-Fock program ATSP2K. Results: This project provides a set of experimental and theoretical oscillator strengths. We derived 34 experimental oscillator strengths. Except from the Mg I optical triplet lines (3p 3P°0,1,2-4s 3S1), these oscillator strengths are measured for the first time. The theoretical oscillator strengths are in very good agreement with the experimental data and complement the missing transitions of the experimental data up to n = 7 from even and odd parity terms. We present an evaluated set of oscillator strengths, gf, with uncertainties as small as 5%. The new values of the Mg I optical triplet line (3p 3P°0,1,2-4s 3S1) oscillator strength values are 0.08 dex larger than the previous measurements.

Linear Transforms for Fourier Data on the Sphere: Application to High Angular Resolution Diffusion MRI of the Brain

PubMed Central

Haldar, Justin P.; Leahy, Richard M.

2013-01-01

This paper presents a novel family of linear transforms that can be applied to data collected from the surface of a 2-sphere in three-dimensional Fourier space. This family of transforms generalizes the previously-proposed Funk-Radon Transform (FRT), which was originally developed for estimating the orientations of white matter fibers in the central nervous system from diffusion magnetic resonance imaging data. The new family of transforms is characterized theoretically, and efficient numerical implementations of the transforms are presented for the case when the measured data is represented in a basis of spherical harmonics. After these general discussions, attention is focused on a particular new transform from this family that we name the Funk-Radon and Cosine Transform (FRACT). Based on theoretical arguments, it is expected that FRACT-based analysis should yield significantly better orientation information (e.g., improved accuracy and higher angular resolution) than FRT-based analysis, while maintaining the strong characterizability and computational efficiency of the FRT. Simulations are used to confirm these theoretical characteristics, and the practical significance of the proposed approach is illustrated with real diffusion weighted MRI brain data. These experiments demonstrate that, in addition to having strong theoretical characteristics, the proposed approach can outperform existing state-of-the-art orientation estimation methods with respect to measures such as angular resolution and robustness to noise and modeling errors. PMID:23353603

Application of satellite data in observational and theoretical studies of the evolving structure of baroclinic waves

NASA Technical Reports Server (NTRS)

Saltzman, Barry

1987-01-01

A variety of observational and theoretical studies were performed which were designed to clarify the relationship between satellite measurements of cloud and radiation and the evolution of transient and stationary circulation in middle latitudes. Satellite outgoing longwave radiation data are used to: (1) estimate the generation of available potential energy due to infrared radiation, and (2) show the extent to which these data can provide the signature of high and low frequency weather phenomena including blocking. In a significant series of studies the nonlinear, energetical, and predictability properties of these blocking situations, and the ralationship of blocking to the planetary, scale longwave structure are described. These studies form the background for continuing efforts to describe and theoretically account for these low frequency planetary wave phenomena in terms of their bimodal properties.

The saga of bottom production in pp-bar collisions

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

Mangano, Michelangelo L.

2005-03-22

I review here the history of bottom quark cross section measurements and theoretical predictions. Starting form the early days of UA1, and going through the sequence of the large excesses reported during run 0 and I at the Tevatron by CDF and D0, I summarize how both data and theory have evolved in time, thanks to improved experimental techniques, more data, and improved control over the main ingredients of the theoretical calculations. I conclude with the discussion of the preliminary data from run II, which appear to finally give a satisfactory picture of the data vs theory comparison.

Lithography Radiation Effects Study.

DTIC Science & Technology

1984-11-01

Electronic Industries, 7317 South Washinqton Avenue, Edina, Minnesota 5;435, 1972) A- 2-8 15. J. H. Scofield , Theoretical Photoionization Cross Sections...exci- tation of a qiven shell is proportional to the photoionization cross-section * of the shell. Theoretical photoionization cross-sections as a...Ti (Ka = 4.51 keV), 500 A and for Cr (K. = 5.41 keV), 580 A. Comparison of these data with existing theoretical models were not carried out. The

Persistence of unsafe practice in everyday work: an exploration of organizational and psychological factors constraining safety in the operating room.

PubMed

Espin, S; Lingard, L; Baker, G R; Regehr, G

2006-06-01

This paper explores the factors that influence the persistence of unsafe practice in an interprofessional team setting in health care, towards the development of a descriptive theoretical model for analyzing problematic practice routines. Using data collected during a mixed method interview study of 28 members of an operating room team, participants' approaches to unsafe practice were analyzed using the following three theoretical models from organizational and cognitive psychology: Reason's theory of "vulnerable system syndrome", Tucker and Edmondson's concept of first and second order problem solving, and Amalberti's model of practice migration. These three theoretical approaches provide a critical insight into key trends in the interview data, including team members' definition of error as the breaching of standards of practice, nurses' sense of scope of practice as a constraint on their reporting behaviours, and participants' reports of the forces influencing tacit agreements to work around safety regulations. However, the relational factors underlying unsafe practice routines are poorly accounted for in these theoretical approaches. Incorporating an additional theoretical construct such as "relational coordination" to account for the emotional human features of team practice would provide a more comprehensive theoretical approach for use in exploring unsafe practice routines and the forces that sustain them in healthcare team settings.

Summary: Special Session SpS15: Data Intensive Astronomy

NASA Astrophysics Data System (ADS)

Montmerle, Thierry

2015-03-01

A new paradigm in astronomical research has been emerging - ``Data Intensive Astronomy'' that utilizes large amounts of data combined with statistical data analyses. The first research method in astronomy was observations by our eyes. It is well known that the invention of telescope impacted the human view on our Universe (although it was almost limited to the solar system), and lead to Keplerfs law that was later used by Newton to derive his mechanics. Newtonian mechanics then enabled astronomers to provide the theoretical explanation to the motion of the planets. Thus astronomers obtained the second paradigm, theoretical astronomy. Astronomers succeeded to apply various laws of physics to reconcile phenomena in the Universe; e.g., nuclear fusion was found to be the energy source of a star. Theoretical astronomy has been paired with observational astronomy to better understand the background physics in observed phenomena in the Universe. Although theoretical astronomy succeeded to provide good physical explanations qualitatively, it was not easy to have quantitative agreements with observations in the Universe. Since the invention of high-performance computers, however, astronomers succeeded to have the third research method, simulations, to get better agreements with observations. Simulation astronomy developed so rapidly along with the development of computer hardware (CPUs, GPUs, memories, storage systems, networks, and others) and simulation codes.

Measurement of cross-sections for the 93Nb(p,n)93mMo and 93Nb(p,pn)92mNb reactions up to ∼20 MeV energy

NASA Astrophysics Data System (ADS)

Lawriniang, B.; Ghosh, R.; Badwar, S.; Vansola, V.; Santhi Sheela, Y.; Suryanarayana, S. V.; Naik, H.; Naik, Y. P.; Jyrwa, B.

2018-05-01

Excitation functions of the 93Nb(p,n)93mMo and 93Nb(p,pn)92mNb reactions were measured from threshold energies to ∼ 20MeV by employing stacked foil activation technique in combination with the off-line γ-ray spectroscopy at the BARC-TIFR Pelletron facility, Mumbai. For the 20 MeV proton beam, the energy degradation along the stack was calculated using the computer code SRIM 2013. The proton beam intensity was determined via the natCu(p,x)62Zn monitor reaction. The experimental data obtained were compared with the theoretical results from TALYS-1.8 as well as with the literature data available in EXFOR. It was found that for the 93Nb(p,n)92mMo reaction, the present data are in close agreement with some of the recent literature data and the theoretical values based on TALYS-1.8 but are lower than the other literature data. In the case of 93Nb(p,pn)93mNb reaction, present data agree very well with the literature data and the theoretical values.

Information-Theoretic Assessment of Sample Imaging Systems

NASA Technical Reports Server (NTRS)

Huck, Friedrich O.; Alter-Gartenberg, Rachel; Park, Stephen K.; Rahman, Zia-ur

1999-01-01

By rigorously extending modern communication theory to the assessment of sampled imaging systems, we develop the formulations that are required to optimize the performance of these systems within the critical constraints of image gathering, data transmission, and image display. The goal of this optimization is to produce images with the best possible visual quality for the wide range of statistical properties of the radiance field of natural scenes that one normally encounters. Extensive computational results are presented to assess the performance of sampled imaging systems in terms of information rate, theoretical minimum data rate, and fidelity. Comparisons of this assessment with perceptual and measurable performance demonstrate that (1) the information rate that a sampled imaging system conveys from the captured radiance field to the observer is closely correlated with the fidelity, sharpness and clarity with which the observed images can be restored and (2) the associated theoretical minimum data rate is closely correlated with the lowest data rate with which the acquired signal can be encoded for efficient transmission.

Momentum distributions for H 2 ( e , e ' p )

DOE PAGES

Ford, William P.; Jeschonnek, Sabine; Van Orden, J. W.

2014-12-29

[Background] A primary goal of deuteron electrodisintegration is the possibility of extracting the deuteron momentum distribution. This extraction is inherently fraught with difficulty, as the momentum distribution is not an observable and the extraction relies on theoretical models dependent on other models as input. [Purpose] We present a new method for extracting the momentum distribution which takes into account a wide variety of model inputs thus providing a theoretical uncertainty due to the various model constituents. [Method] The calculations presented here are using a Bethe-Salpeter like formalism with a wide variety of bound state wave functions, form factors, and finalmore » state interactions. We present a method to extract the momentum distributions from experimental cross sections, which takes into account the theoretical uncertainty from the various model constituents entering the calculation. [Results] In order to test the extraction pseudo-data was generated, and the extracted "experimental'' distribution, which has theoretical uncertainty from the various model inputs, was compared with the theoretical distribution used to generate the pseudo-data. [Conclusions] In the examples we compared the original distribution was typically within the error band of the extracted distribution. The input wave functions do contain some outliers which are discussed in the text, but at least this process can provide an upper bound on the deuteron momentum distribution. Due to the reliance on the theoretical calculation to obtain this quantity any extraction method should account for the theoretical error inherent in these calculations due to model inputs.« less

Ion and electron temperatures in the topside ionosphere

NASA Technical Reports Server (NTRS)

Munninghoff, D. E.

1979-01-01

Experimental and theoretical ion and electron temperatures in the topside ionosphere were investigated. Experimental results came from an analysis of incoherent scatter data taken at Arecibo, Puerto Rico. Consideration of the energy balance equations gave the theoretical ion and electron temperatures.

Thermophysical Properties of Selected Aerospace Materials. Part 1. Thermal Radiative Properties

DTIC Science & Technology

1976-01-01

discusses the available data and information, the theoretical guidelines and other factors on which the critical evaluation, analysis, and synthesis of...text and a specification table. The former reviews and discusses the available data and information, the theoretical guidelines and other factors on...conditions 6’ Zenith angle for viewing conditions A6 Half angle of acceptance of optical system K Loss value factor X Wavelength p Reflectance p

Recent Excitation, Charge Exchange, and Lifetime Results in Highly Charged Ions Relevant to Stellar, Interstellar, Solar and Comet Phenomena

NASA Technical Reports Server (NTRS)

Chutjian, A.; Hossain, S.; Mawhorter, R. J.; Smith, S. J.

2006-01-01

Recent JPL absolute excitation and charge exchange cross sections, and measurements of lifetimes of metastable levels in highly-charged ions (HCIs) are reported. These data provide benchmark comparisons to results of theoretical calculations. Theoretical approaches can then be used to calculate the vast array of data which cannot be measured due to experimental constraints. Applications to the X-ray emission from comets are given.

Experimental Investigation of Eccentricity Ratio, Friction, and Oil Flow of Short Journal Bearings

NASA Technical Reports Server (NTRS)

Dubois, G B; Ocvirk, F W

1952-01-01

An experimental investigation was conducted to obtain performance data on bearings of length-diameter ratios of 1, 1/2, and 1/4 for comparison with theoretical curves. A 1.375-inch-diameter bearing was tested at speeds up to 6000 rpm and with unit loads from 0 to 900 pounds per square inch. Experimental data for eccentricity ratio and friction followed single lines when plotted against a theoretically derived capacity number, which is equal to Sommerfeld number times the square of the length-diameter ratio. The form of the capacity number indicates that under certain conditions the eccentricity ratio is theoretically independent of bearing diameter. A method of plotting oil flow data as a single line is shown. Methods are also discussed for approximating a maximum bearing temperature and evaluating the effect of deflection or misalignment on the eccentricity ratio at the ends of the bearings.

Overview of RICOR's reliability theoretical analysis, accelerated life demonstration test results and verification by field data

NASA Astrophysics Data System (ADS)

Vainshtein, Igor; Baruch, Shlomi; Regev, Itai; Segal, Victor; Filis, Avishai; Riabzev, Sergey

2018-05-01

The growing demand for EO applications that work around the clock 24hr/7days a week, such as in border surveillance systems, emphasizes the need for a highly reliable cryocooler having increased operational availability and optimized system's Integrated Logistic Support (ILS). In order to meet this need, RICOR developed linear and rotary cryocoolers which achieved successfully this goal. Cryocoolers MTTF was analyzed by theoretical reliability evaluation methods, demonstrated by normal and accelerated life tests at Cryocooler level and finally verified by field data analysis derived from Cryocoolers operating at system level. The following paper reviews theoretical reliability analysis methods together with analyzing reliability test results derived from standard and accelerated life demonstration tests performed at Ricor's advanced reliability laboratory. As a summary for the work process, reliability verification data will be presented as a feedback from fielded systems.

Comparison of theoretical and flight-measured local flow aerodynamics for a low-aspect-ratio fin

NASA Technical Reports Server (NTRS)

Johnson, J. B.; Sandlin, D. R.

1984-01-01

Flight test and theoretical aerodynamic data were obtained for a flight test fixture mounted on the underside of an F-104G aircraft. The theoretical data were generated using two codes, a two dimensional transonic code called Code H, and a three dimensional subsonic and supersonic code call wing-body. Pressure distributions generated by the codes for the flight test fixture as well as boundary layer displacement thickness generated by the two dimensional code were compared to the flight test data. The two dimensional code pressure distributions compared well except at the minimum pressure point and trailing edge. Shock locations compared well except at high transonic speeds. The three dimensional code pressure distributions compared well except at the trailing edge of the flight test fixture. The two dimensional code does not predict displacement thickness of the flight test fixture well.

Structure and dynamics of the UO(2)(2+) ion in aqueous solution: an ab initio QMCF MD study.

PubMed

Frick, Robert J; Hofer, Thomas S; Pribil, Andreas B; Randolf, Bernhard R; Rode, Bernd M

2009-11-12

A comprehensive theoretical investigation on the structure and dynamics of the UO(2)(2+) ion in aqueous solution using double-zeta HF level quantum mechanical charge field molecular dynamics is presented. The quantum mechanical region includes two full layers of hydration and is embedded in a large box of explicitly treated water to achieve a realistic environment. A number of different functions, including segmential, radial, and angular distribution functions, are employed together with tilt- and Theta-angle distribution functions to describe the complex structural properties of this ion. These data were compared to recent experimental data obtained from LAXS and EXAFS and results of various theoretical calculations. Some properties were explained with the aid of charge distribution plots for the solute. The solvent dynamics around the ion were investigated using distance plots and mean ligand residence times and the results compared to experimental and theoretical data of related ions.

Theoretical branching ratios for the 5I7 to 5I7 levels of Ho(3+) in the garnets A3B2C3O12 (A = Y,La,Lu,Gd; B = Al,Lu,Sc,Ga; C = Al,Ga)

NASA Technical Reports Server (NTRS)

Filer, Elizabeth D.; Morrison, Clyde A.; Turner, Gregory A.; Barnes, Norman P.

1991-01-01

Results are reported from an experimental study investigating triply ionized holmium in 10 garnets using the point-change model to predict theoretical energy levels and temperature-dependent branching ratios for the 5I7 to 5I8 manifolds for temperatures between 50 and 400 K. Plots were made for the largest lines at 300 K. YScAG was plotted twice, once for each set of X-ray data available. Energy levels are predicted based on theoretical crystal-field parameters, and good agreement to experiment is found. It is suggested that the present set of theoretical crystal-field parameters provides good estimates of the energy levels for the other hosts on which there are no experimental optical data. X-ray and index-of-refraction data are used to evaluate the performance of 10 lasers via a quantum mechanical model to predict the position of the energy levels and the temperature-dependent branching rations of the 5I7 to 5I8 levels of holmium. The fractional population inversion required for threshold is also evaluated.

Spectroscopic and density functional theory studies of 5,7,3',5'-tetrahydroxyflavanone from the leaves of Olea ferruginea.

PubMed

Hashmi, Muhammad Ali; Khan, Afsar; Ayub, Khurshid; Farooq, Umar

2014-07-15

5,7,3',5'-Tetrahydroxyflavanone (1) was isolated from the leaves of Olea ferruginea and a theoretical model was developed for obtaining the electronic and spectroscopic properties of 1. The geometric and electronic properties were calculated at B3LYP/6-311 G (d, p) level of Density Functional Theory (DFT). The theoretical data was in good agreement with the experimental one. The optimized geometric parameters of compound 1 were calculated for the first time. The theoretical vibrational frequencies of 1 were found to correlate with the experimental IR spectrum after a scaling factor of 0.9811. The UV and NMR spectral data computed theoretically were in good agreement with the experimental data. Electronic properties of the compound i.e., ionization potential (IP), electron affinity (EA), coefficients of HOMO and LUMO were estimated computationally for the first time which can be used to explain its antioxidant as well as other related activities and more active sites on it. The intermolecular interactions and their effects on IR frequencies, electronic and geometric parameters were simulated using water molecule as a model for hydrogen bonding with flavonoid hydroxyl groups. Copyright © 2014 Elsevier B.V. All rights reserved.

Spectroscopic and density functional theory studies of 5,7,3‧,5‧-tetrahydroxyflavanone from the leaves of Olea ferruginea

NASA Astrophysics Data System (ADS)

Hashmi, Muhammad Ali; Khan, Afsar; Ayub, Khurshid; Farooq, Umar

2014-07-01

5,7,3‧,5‧-Tetrahydroxyflavanone (1) was isolated from the leaves of Olea ferruginea and a theoretical model was developed for obtaining the electronic and spectroscopic properties of 1. The geometric and electronic properties were calculated at B3LYP/6-311 G (d, p) level of Density Functional Theory (DFT). The theoretical data was in good agreement with the experimental one. The optimized geometric parameters of compound 1 were calculated for the first time. The theoretical vibrational frequencies of 1 were found to correlate with the experimental IR spectrum after a scaling factor of 0.9811. The UV and NMR spectral data computed theoretically were in good agreement with the experimental data. Electronic properties of the compound i.e., ionization potential (IP), electron affinity (EA), coefficients of HOMO and LUMO were estimated computationally for the first time which can be used to explain its antioxidant as well as other related activities and more active sites on it. The intermolecular interactions and their effects on IR frequencies, electronic and geometric parameters were simulated using water molecule as a model for hydrogen bonding with flavonoid hydroxyl groups.

Mediating objects: scientific and public functions of models in nineteenth-century biology.

PubMed

Ludwig, David

2013-01-01

The aim of this article is to examine the scientific and public functions of two- and three-dimensional models in the context of three episodes from nineteenth-century biology. I argue that these models incorporate both data and theory by presenting theoretical assumptions in the light of concrete data or organizing data through theoretical assumptions. Despite their diverse roles in scientific practice, they all can be characterized as mediators between data and theory. Furthermore, I argue that these different mediating functions often reflect their different audiences that included specialized scientists, students, and the general public. In this sense, models in nineteenth-century biology can be understood as mediators between theory, data, and their diverse audiences.

Simulation data for an estimation of the maximum theoretical value and confidence interval for the correlation coefficient.

PubMed

Rocco, Paolo; Cilurzo, Francesco; Minghetti, Paola; Vistoli, Giulio; Pedretti, Alessandro

2017-10-01

The data presented in this article are related to the article titled "Molecular Dynamics as a tool for in silico screening of skin permeability" (Rocco et al., 2017) [1]. Knowledge of the confidence interval and maximum theoretical value of the correlation coefficient r can prove useful to estimate the reliability of developed predictive models, in particular when there is great variability in compiled experimental datasets. In this Data in Brief article, data from purposely designed numerical simulations are presented to show how much the maximum r value is worsened by increasing the data uncertainty. The corresponding confidence interval of r is determined by using the Fisher r → Z transform.

Individual behavioral phenotypes: an integrative meta-theoretical framework. Why "behavioral syndromes" are not analogs of "personality".

PubMed

Uher, Jana

2011-09-01

Animal researchers are increasingly interested in individual differences in behavior. Their interpretation as meaningful differences in behavioral strategies stable over time and across contexts, adaptive, heritable, and acted upon by natural selection has triggered new theoretical developments. However, the analytical approaches used to explore behavioral data still address population-level phenomena, and statistical methods suitable to analyze individual behavior are rarely applied. I discuss fundamental investigative principles and analytical approaches to explore whether, in what ways, and under which conditions individual behavioral differences are actually meaningful. I elaborate the meta-theoretical ideas underlying common theoretical concepts and integrate them into an overarching meta-theoretical and methodological framework. This unravels commonalities and differences, and shows that assumptions of analogy to concepts of human personality are not always warranted and that some theoretical developments may be based on methodological artifacts. Yet, my results also highlight possible directions for new theoretical developments in animal behavior research. Copyright © 2011 Wiley Periodicals, Inc.

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

Monaghan, P; Shneor, R; Subedi, R

The five-fold differential cross section for the 12C(e,e'p)11B reaction was determined over a missing momentum range of 200-400 MeV/c, in a kinematics regime with Bjorken x > 1 and Q2 = 2.0 (GeV/c)2. A comparison of the results and theoretical models and previous lower missing momentum data is shown. The theoretical calculations agree well with the data up to a missing momentum value of 325 MeV/c and then diverge for larger missing momenta. The extracted distorted momentum distribution is shown to be consistent with previous data and extends the range of available data up to 400 MeV/c.

Comparison of Theoretically Predicted Electromagnetic Heavy Ion Cross Sections with CERN SPS and RHIC Data

NASA Astrophysics Data System (ADS)

Baltz, Anthony J.

2002-10-01

Theoretical predictions for a number of electromagnetically induced reactions have been compared with available ultrarelativistic heavy ion data. Calculations for three atomic process have been confronted with CERN SPS data. Theoretically predicted rates are in good agreement with data[1] for bound-electron positron pairs and ionization of single electron heavy ions. Furthermore, the exact solution of the semi-classical Dirac equation in the ultrarelativistic limit reproduces the perturbative scaling result seen in data[2] for continuum pairs (i.e. cross sections go as Z_1^2 Z_2^2). In the area of electromagnetically induced nuclear and hadronic physics, mutual Coulomb dissociation predictions are in good agreement with RHIC Zero Degree Calorimeter measurements[3], and calculations of coherent vector meson production accompanied by mutual Coulomb dissociation[4] are in good agreement with RHIC STAR data[5]. [1] H. F. Krause et al., Phys. Rev. Lett., 80, 1190 (1998). [2] C. R. Vane et al., Phys. Rev. A 56, 3682 (1997). [3] Mickey Chiu et al., Phys. Rev. Lett. 89, 012302 (2002). [4] Anthony J. Baltz, Spencer R. Klein, and Joakim Nystrand, Phys. Rev. Lett. 89, 012301 (2002). [5] C. Adler et al., STAR Collaboration, arXiv:nucl-ex/206004.

Linear transforms for Fourier data on the sphere: application to high angular resolution diffusion MRI of the brain.

PubMed

Haldar, Justin P; Leahy, Richard M

2013-05-01

This paper presents a novel family of linear transforms that can be applied to data collected from the surface of a 2-sphere in three-dimensional Fourier space. This family of transforms generalizes the previously-proposed Funk-Radon Transform (FRT), which was originally developed for estimating the orientations of white matter fibers in the central nervous system from diffusion magnetic resonance imaging data. The new family of transforms is characterized theoretically, and efficient numerical implementations of the transforms are presented for the case when the measured data is represented in a basis of spherical harmonics. After these general discussions, attention is focused on a particular new transform from this family that we name the Funk-Radon and Cosine Transform (FRACT). Based on theoretical arguments, it is expected that FRACT-based analysis should yield significantly better orientation information (e.g., improved accuracy and higher angular resolution) than FRT-based analysis, while maintaining the strong characterizability and computational efficiency of the FRT. Simulations are used to confirm these theoretical characteristics, and the practical significance of the proposed approach is illustrated with real diffusion weighted MRI brain data. These experiments demonstrate that, in addition to having strong theoretical characteristics, the proposed approach can outperform existing state-of-the-art orientation estimation methods with respect to measures such as angular resolution and robustness to noise and modeling errors. Copyright © 2013 Elsevier Inc. All rights reserved.

Outer crust of nonaccreting cold neutron stars

NASA Astrophysics Data System (ADS)

Rüster, Stefan B.; Hempel, Matthias; Schaffner-Bielich, Jürgen

2006-03-01

The properties of the outer crust of nonaccreting cold neutron stars are studied by using modern nuclear data and theoretical mass tables, updating in particular the classic work of Baym, Pethick, and Sutherland. Experimental data from the atomic mass table from Audi, Wapstra, and Thibault of 2003 are used and a thorough comparison of many modern theoretical nuclear models, both relativistic and nonrelativistic, is performed for the first time. In addition, the influences of pairing and deformation are investigated. State-of-the-art theoretical nuclear mass tables are compared to check their differences concerning the neutron drip line, magic neutron numbers, the equation of state, and the sequence of neutron-rich nuclei up to the drip line in the outer crust of nonaccreting cold neutron stars.

Theoretical face pressure and drag characteristics of forward-facing steps in supersonic turbulent boundary layers

NASA Technical Reports Server (NTRS)

Patel, D. K.; Czarnecki, K. R.

1975-01-01

A theoretical investigation of the pressure distributions and drag characteristics was made for forward facing steps in turbulent flow at supersonic speeds. An approximate solution technique proposed by Uebelhack has been modified and extended to obtain a more consistent numerical procedure. A comparison of theoretical calculations with experimental data generally indicated good agreement over the experimentally available range of ratios of step height to boundary layer thickness from 7 to 0.05.

The Valence- and Conduction-Band Structure of the Sapphire (1102) Surface.

DTIC Science & Technology

1984-12-01

surface. The pbotomission spectrum of the valece-baud region has boon adjusted to rmove croas-section effect s and comparod to the recent theoretical ...transitions in Al203. Several theoretical deteminations of the electron structure of various A1203 analoaues have bes performed. These calculations were...picture of the valence sad core density of states in sapphire. The rew, 31 velesee-bend data of Fit. I& and the theoretical 003 shows is Fig. 1.. which

Theoretical Feasibility of Digital Communication Over Ocean Areas by High Frequency Radio

DOT National Transportation Integrated Search

1979-11-01

The theoretical reliability of digital data transmission via high frequency radio is examined for typical air traffic routes in the Atlantic and Pacific areas to assist the U.S. Department of Transportation in the evaluation of a system for improving...

Using a commercial CAD system for simultaneous input to theoretical aerodynamic programs and wind-tunnel model construction

NASA Technical Reports Server (NTRS)

Enomoto, F.; Keller, P.

1984-01-01

The Computer Aided Design (CAD) system's common geometry database was used to generate input for theoretical programs and numerically controlled (NC) tool paths for wind tunnel part fabrication. This eliminates the duplication of work in generating separate geometry databases for each type of analysis. Another advantage is that it reduces the uncertainty due to geometric differences when comparing theoretical aerodynamic data with wind tunnel data. The system was adapted to aerodynamic research by developing programs written in Design Analysis Language (DAL). These programs reduced the amount of time required to construct complex geometries and to generate input for theoretical programs. Certain shortcomings of the Design, Drafting, and Manufacturing (DDM) software limited the effectiveness of these programs and some of the Calma NC software. The complexity of aircraft configurations suggests that more types of surface and curve geometry should be added to the system. Some of these shortcomings may be eliminated as improved versions of DDM are made available.

A Cost Comparison Between Active and Naval Reserve Force FFG 7 Class Ships

DTIC Science & Technology

1993-06-01

so in our hypothetical depreciation schedule 1/30th of the depreciable cost would be expensed each year. Under GAAP , the historical cost of the asset...and Support Costs (VAMOSC) data base provided by the* aval Center For Cost Analysis. The thesis also sets up theoretical depreciation schedules for...VAMOSC) data base provided by the Naval Center for Cost Analysis. The thesis also sets up theoretical depreciation schedules for selected ships to

Uncertainties of predictions from parton distributions II: theoretical errors

NASA Astrophysics Data System (ADS)

Martin, A. D.; Roberts, R. G.; Stirling, W. J.; Thorne, R. S.

2004-06-01

We study the uncertainties in parton distributions, determined in global fits to deep inelastic and related hard scattering data, due to so-called theoretical errors. Amongst these, we include potential errors due to the change of perturbative order (NLO to NNLO), ln(1/x) and ln(1-x) effects, absorptive corrections and higher-twist contributions. We investigate these uncertainties both by including explicit corrections to our standard global analysis and by examining the sensitivity to changes of the x, Q 2, W 2 cuts on the data that are fitted. In this way we expose those kinematic regions where the conventional DGLAP description is inadequate. As a consequence we obtain a set of NLO, and of NNLO, conservative partons where the data are fully consistent with DGLAP evolution, but over a restricted kinematic domain. We also examine the potential effects of such issues as the choice of input parametrisation, heavy target corrections, assumptions about the strange quark sea and isospin violation. Hence we are able to compare the theoretical errors with those uncertainties due to errors on the experimental measurements, which we studied previously. We use W and Higgs boson production at the Tevatron and the LHC as explicit examples of the uncertainties arising from parton distributions. For many observables the theoretical error is dominant, but for the cross section for W production at the Tevatron both the theoretical and experimental uncertainties are small, and hence the NNLO prediction may serve as a valuable luminosity monitor.

Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids: A theoretical approach for potentially bioactive molecules

NASA Astrophysics Data System (ADS)

Costa, Renyer A.; Oliveira, Kelson M. T.; Costa, Emmanoel Vilaça; Pinheiro, Maria L. B.

2017-10-01

A combined experimental and theoretical DFT study of the structural, vibrational and electronic properties of strychnobrasiline and 12-hydroxy-10,11-dimethoxystrychnobrasiline is presented using the Becke three-parameter Lee-Yang-Parr function (B3LYP) and 6-311G(2d,p) basis set. The theoretical geometry optimization data were compared with the X-ray data for a similar structure in the associated literature, showing close values. The calculated HOMO-LUMO gap values showed that the presence of substituents in the benzene ring influences the quantum properties which are directly related to the reactive properties. Theoretical UV spectra agreed well with the measured experimental data, with bands assigned. In addition, Natural Bond Orbitals (NBOs), Mapped molecular electrostatic potential surface (MEPS) and NLO calculations were also performed at the same theory level. The theoretical vibrational analysis revealed several characteristic vibrations that may be used as a diagnostic tool for other strychnobrasiline type alkaloids, simplifying their identification and structural characterization. Molecular docking calculations with DNA Topoisomerase II-DNA complex showed binding free energies values of -8.0 and -9.5 kcal/mol for strychnobrasiline and 12-hydroxy-10,11-dimethoxystrychnobrasiline respectively, while for amsacrine, used for the treatment of leukemia, the binding free energy ΔG presented a value of -10.0 kcal/mol, suggesting that strychnobrasiline derivative alkaloids might exhibit an antineoplastic activity.

On the Hilbert-Huang Transform Theoretical Foundation

NASA Technical Reports Server (NTRS)

Kizhner, Semion; Blank, Karin; Huang, Norden E.

2004-01-01

The Hilbert-Huang Transform [HHT] is a novel empirical method for spectrum analysis of non-linear and non-stationary signals. The HHT is a recent development and much remains to be done to establish the theoretical foundation of the HHT algorithms. This paper develops the theoretical foundation for the convergence of the HHT sifting algorithm and it proves that the finest spectrum scale will always be the first generated by the HHT Empirical Mode Decomposition (EMD) algorithm. The theoretical foundation for cutting an extrema data points set into two parts is also developed. This then allows parallel signal processing for the HHT computationally complex sifting algorithm and its optimization in hardware.

Experimental and theoretical studies on the structural, spectroscopic and hydrogen bonding on 4-nitro-n-(2,4-dinitrophenyl) benzenamine

NASA Astrophysics Data System (ADS)

Subhapriya, G.; Kalyanaraman, S.; Jeyachandran, M.; Ragavendran, V.; Krishnakumar, V.

2018-04-01

Synthesized 4-nitro-N-(2,4-dinitrophenyl) benzenamine (NDPBA) molecule was confirmed applying the tool of NMR. Theoretical prediction addressed the NMR chemical shifts and correlated well with the experimental data. The molecule subjected to theoretical DFT at 6-311++G** level unraveled the spectroscopic and structural properties of the NDPBA molecule. Moreover the structural features proved the occurrence of intramolecular Nsbnd H· · O hydrogen bonding in the molecule which was further confirmed with the help of Frontier molecular orbital analysis. Vibrational spectroscopic characterization through FT-IR and Raman experimentally and theoretically gave an account for the vibrational properties. An illustration of the topology of the molecule theoretically helped also in finding the hydrogen bonding energy.

The calculation and evaluation for n+54,56,57,58Fe reactions

NASA Astrophysics Data System (ADS)

Han, Yinlu; Xu, Yongli; Guo, Hairui; Zhang, Zhengjun; Liang, Haiying; Cai, Chonghai; Shen, Qingbiao

2017-09-01

All cross sections of neutron-induced reactions, angular distributions, double differential cross sections, angle-integrated spectra, γ-ray production cross sections and energy spectra for 54,56,57,58Fe are calculated by using theoretical models at incident neutron energies from 0.1 to 200 MeV. The present consistent theoretical calculated results are in good agreement with recent experimental data. The present evaluated data are compared with the existing experimental data and evaluated results from ENDF/B-VII, JENDL-4, JEFF-3, and the results are given in ENDF/B format.

Theoretical nuclear database for high-energy, heavy-ion (HZE) transport

NASA Technical Reports Server (NTRS)

Townsend, L. W.; Cucinotta, F. A.; Wilson, J. W.

1995-01-01

Theoretical methods for estimating high-energy, heavy-ion (HZE) particle absorption and fragmentation cross-sections are described and compared with available experimental data. Differences between theory and experiment range from several percent for absorption cross-sections up to about 25%-50% for fragmentation cross-sections.

Mixed linear-non-linear inversion of crustal deformation data: Bayesian inference of model, weighting and regularization parameters

NASA Astrophysics Data System (ADS)

Fukuda, Jun'ichi; Johnson, Kaj M.

2010-06-01

We present a unified theoretical framework and solution method for probabilistic, Bayesian inversions of crustal deformation data. The inversions involve multiple data sets with unknown relative weights, model parameters that are related linearly or non-linearly through theoretic models to observations, prior information on model parameters and regularization priors to stabilize underdetermined problems. To efficiently handle non-linear inversions in which some of the model parameters are linearly related to the observations, this method combines both analytical least-squares solutions and a Monte Carlo sampling technique. In this method, model parameters that are linearly and non-linearly related to observations, relative weights of multiple data sets and relative weights of prior information and regularization priors are determined in a unified Bayesian framework. In this paper, we define the mixed linear-non-linear inverse problem, outline the theoretical basis for the method, provide a step-by-step algorithm for the inversion, validate the inversion method using synthetic data and apply the method to two real data sets. We apply the method to inversions of multiple geodetic data sets with unknown relative data weights for interseismic fault slip and locking depth. We also apply the method to the problem of estimating the spatial distribution of coseismic slip on faults with unknown fault geometry, relative data weights and smoothing regularization weight.

Comparison of experimental with theoretical total-pressure loss in parallel-walled turbojet combustors

NASA Technical Reports Server (NTRS)

Dittrich, Ralph T

1957-01-01

An experimental investigation of combustor total-pressure loss was undertaken to confirm previous theoretical analyses of effects of geometric and flow variables and of heat addition. The results indicate that a reasonable estimate of cold-flow total-pressure-loss coefficient may be obtained from the theoretical analyses. Calculated total-pressure loss due to heat addition agreed with experimental data only when there was no flame ejection from the liner at the upstream air-entry holes.

Investigation of multilayer magnetic domain lattice file

NASA Technical Reports Server (NTRS)

Torok, E. J.; Kamin, M.; Tolman, C. H.

1982-01-01

A theoretical and experimental investigation determined that current accessed self structured bubble memory devices have the potential of meeting projected data density and speed requirements. Device concepts analyzed include multilayer ferrimagnetic devices where the top layer contains a domain structure which defines the data location and the second contains the data. Current aperture and permalloy assisted current propagation devices were evaluated. Based on the result of this work more detailed device research was initiated. Detailed theoretical and experimental studies indicate that the difference in strip and threshold between a single bubble in the control layer and a double bubble which would exist in both the control layer and data layer is adequate to allow for detection of data. Detailed detector designs were investigated.

Entropy of gaseous boron monobromide

NASA Astrophysics Data System (ADS)

Wang, Jian-Feng; Peng, Xiao-Long; Zhang, Lie-Hui; Wang, Chao-Wen; Jia, Chun-Sheng

2017-10-01

We present an explicit representation of molar entropy for gaseous boron monobromide in terms of experimental values of only three molecular constants. Fortunately, through comparison of theoretically calculated results and experimental data, we find that the molar entropy of gaseous boron monobromide can be well predicted by employing the improved Manning-Rosen oscillator to describe the internal vibration of boron monobromide molecule. The present approach provides also opportunities for theoretical predictions of molar entropy for other gases with no use of large amounts of experimental spectroscopy data.

A theoretical/experimental program to develop active optical pollution sensors

NASA Technical Reports Server (NTRS)

Mills, F. S.; Blais, R. N.; Kindle, E. C.

1977-01-01

Light detection and ranging (LIDAR) technology was applied to the assessment of air quality, and its usefulness was evaluated by actual field tests. Necessary hardware was successfully constructed and operated in the field. Measurements of necessary physical parameters, such as SO2 absorption coefficients were successfully completed and theoretical predictions of differential absorption performance were reported. Plume modeling improvements were proposed. A full scale field test of equipment, data analysis and auxiliary data support was conducted in Maryland during September 1976.

Beyond the Language Classroom

ERIC Educational Resources Information Center

Benson, Phil, Ed.; Reinders, Hayo, Ed.

2011-01-01

This comprehensive exploration of theoretical and practical aspects of out-of-class teaching and learning, from a variety of perspectives and in various settings around the world, includes a theoretical overview of the field, 11 data-based case studies, and practical advice on materials development for independent learning. Contents of this book…

Conical Pendulum--Linearization Analyses

ERIC Educational Resources Information Center

Dean, Kevin; Mathew, Jyothi

2016-01-01

A theoretical analysis is presented, showing the derivations of seven different linearization equations for the conical pendulum period "T", as a function of radial and angular parameters. Experimental data obtained over a large range of fixed conical pendulum lengths (0.435 m-2.130 m) are plotted with the theoretical lines and…

Feminist Principles in Survivor's Groups: Out-of-Group Contact.

ERIC Educational Resources Information Center

Rittenhouse, JoAn

1997-01-01

Illustrates the value of theoretical concepts from Feminist Therapy in the group treatment of women survivors. Theoretical underpinnings are supported using data taken from clinical experience and by examining group themes and out-of-group contact developed from the case sample. Principles regarding feminist groups are proposed. (RJM)

"Faces" and Complexities of Continuing Higher Education Units: A Postmodern Approach

ERIC Educational Resources Information Center

Stephenson, Sandria S.

2010-01-01

This study examines the dynamics of continuing higher education units within the sociopolitical context of higher education institutions. A qualitative approach to data collection and analysis was the study's design, while the theoretical frame was a postmodern, symbolic, theoretical approach to organizational studies. Results show that continuing…

ASSOCIATIVE ADJUSTMENTS TO REDUCE ERRORS IN DOCUMENT SEARCHING.

ERIC Educational Resources Information Center

BRYANT, EDWARD C.; AND OTHERS

ASSOCIATIVE ADJUSTMENTS TO A DOCUMENT FILE ARE CONSIDERED AS A MEANS FOR IMPROVING RETRIEVAL. A THEORETICAL INVESTIGATION OF THE STATISTICAL PROPERTIES OF A GENERALIZED MISMATCH MEASURE WAS CARRIED OUT AND IMPROVEMENTS IN RETRIEVAL RESULTING FROM PERFORMING ASSOCIATIVE REGRESSION ADJUSTMENTS ON DATA FILE WERE EXAMINED BOTH FROM THE THEORETICAL AND…

Main Factors of Teachers' Professional Well-Being

ERIC Educational Resources Information Center

Yildirim, Kamil

2014-01-01

The purpose of the study was to reveal the main factors of teachers' professional well being. Theoretically constructed model was tested on large scale data belong to 72.190 teachers working at lower secondary level. Theoretical model included teachers' individual, professional and organizational characteristics. Professional well-being…

Theoretical and computational foundations of management class simulation

Treesearch

Denie Gerold

1978-01-01

Investigations on complicated, complex, and not well-ordered systems are possible only with the aid of mathematical methods and electronic data processing. Simulation as a method of operations research is particularly suitable for this purpose. Theoretical and computational foundations of management class simulation must be integrated into the planning systems of...

Outer crust of nonaccreting cold neutron stars

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

Ruester, Stefan B.; Hempel, Matthias; Schaffner-Bielich, Juergen

The properties of the outer crust of nonaccreting cold neutron stars are studied by using modern nuclear data and theoretical mass tables, updating in particular the classic work of Baym, Pethick, and Sutherland. Experimental data from the atomic mass table from Audi, Wapstra, and Thibault of 2003 are used and a thorough comparison of many modern theoretical nuclear models, both relativistic and nonrelativistic, is performed for the first time. In addition, the influences of pairing and deformation are investigated. State-of-the-art theoretical nuclear mass tables are compared to check their differences concerning the neutron drip line, magic neutron numbers, the equationmore » of state, and the sequence of neutron-rich nuclei up to the drip line in the outer crust of nonaccreting cold neutron stars.« less

Scaling Cross Sections for Ion-atom Impact Ionization

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

Igor D. Kaganovich; Edward Startsev; Ronald C. Davidson

2003-06-06

The values of ion-atom ionization cross sections are frequently needed for many applications that utilize the propagation of fast ions through matter. When experimental data and theoretical calculations are not available, approximate formulas are frequently used. This paper briefly summarizes the most important theoretical results and approaches to cross section calculations in order to place the discussion in historical perspective and offer a concise introduction to the topic. Based on experimental data and theoretical predictions, a new fit for ionization cross sections is proposed. The range of validity and accuracy of several frequently used approximations (classical trajectory, the Born approximation,more » and so forth) are discussed using, as examples, the ionization cross sections of hydrogen and helium atoms by various fully stripped ions.« less

Testing electrostatic equilibrium in the ionosphere by detailed comparison of ground magnetic deflection and incoherent scatter radar.

NASA Astrophysics Data System (ADS)

Cosgrove, R. B.; Schultz, A.; Imamura, N.

2016-12-01

Although electrostatic equilibrium is always assumed in the ionosphere, there is no good theoretical or experimental justification for the assumption. In fact, recent theoretical investigations suggest that the electrostatic assumption may be grossly in error. If true, many commonly used modeling methods are placed in doubt. For example, the accepted method for calculating ionospheric conductance??field line integration??may be invalid. In this talk we briefly outline the theoretical research that places the electrostatic assumption in doubt, and then describe how comparison of ground magnetic field data with incoherent scatter radar (ISR) data can be used to test the electrostatic assumption in the ionosphere. We describe a recent experiment conducted for the purpose, where an array of magnetometers was temporalily installed under the Poker Flat AMISR.

Poly(ethylene oxide) Chains Are Not ``Hydrophilic'' When They Exist As Polymer Brush Chains

NASA Astrophysics Data System (ADS)

Lee, Hoyoung; Kim, Dae Hwan; Witte, Kevin N.; Ohn, Kimberly; Choi, Je; Kim, Kyungil; Meron, Mati; Lin, Binhua; Akgun, Bulent; Satija, Sushil; Won, You-Yeon

2012-02-01

By using a combined experimental and theoretical approach, a model poly(ethylene oxide) (PEO) brush system, prepared by spreading a poly(ethylene oxide)-poly(n-butyl acrylate) (PEO-PnBA) amphiphilic diblock copolymer onto an air-water interface, was investigated. The polymer segment density profiles of the PEO brush in the direction normal to the air-water interface under various grafting density conditions were determined from combined X-ray and neutron reflectivity data. In order to achieve a theoretically sound analysis of the reflectivity data, we developed a new data analysis method that uses the self-consistent field theoretical modeling as a tool for predicting expected reflectivity results for comparison with the experimental data. Using this new data analysis method, we discovered that the effective Flory-Huggins interaction parameter of the PEO brush chains is significantly greater than that corresponding to the theta condition, suggesting that contrary to what is more commonly observed for PEO in normal situations, the PEO chains are actually not ``hydrophilic'' when they exist as polymer brush chains, because of the many body interactions forced to be effective in the brush situation.

Semi-empirical and empirical L X-ray production cross sections for elements with 50 ⩽ Z ⩽ 92 for protons of 0.5 3.0 MeV

NASA Astrophysics Data System (ADS)

Nekab, M.; Kahoul, A.

2006-04-01

We present in this contribution, semi-empirical production cross sections of the main X-ray lines Lα, Lβ and Lγ for elements from Sn to U and for protons with energies varying from 0.5 to 3.0 MeV. The theoretical X-ray production cross sections are firstly calculated from the theoretical ionization cross sections of the L i ( i = 1, 2, 3) subshell within the ECPSSR theory. The semi-empirical Lα, Lβ and Lγ cross sections are then deduced by fitting the available experimental data normalized to their corresponding theoretical values and give the better representation of the experimental data in some cases. On the other hand, the experimental data are directly fitted to deduce the empirical L X-ray production cross sections. A comparison is made between the semi-empirical cross sections, the empirical cross sections reported in this work and the empirical ones reported by Reis and Jesus [M.A. Reis, A.P. Jesus, Atom. Data Nucl. Data Tables 63 (1996) 1] and those of Strivay and Weber [Strivay, G. Weber, Nucl. Instr. and Meth. B 190 (2002) 112].

Gravity Tides Extracted from Relative Gravimeter Data by Combining Empirical Mode Decomposition and Independent Component Analysis

NASA Astrophysics Data System (ADS)

Yu, Hongjuan; Guo, Jinyun; Kong, Qiaoli; Chen, Xiaodong

2018-04-01

The static observation data from a relative gravimeter contain noise and signals such as gravity tides. This paper focuses on the extraction of the gravity tides from the static relative gravimeter data for the first time applying the combined method of empirical mode decomposition (EMD) and independent component analysis (ICA), called the EMD-ICA method. The experimental results from the CG-5 gravimeter (SCINTREX Limited Ontario Canada) data show that the gravity tides time series derived by EMD-ICA are consistent with the theoretical reference (Longman formula) and the RMS of their differences only reaches 4.4 μGal. The time series of the gravity tides derived by EMD-ICA have a strong correlation with the theoretical time series and the correlation coefficient is greater than 0.997. The accuracy of the gravity tides estimated by EMD-ICA is comparable to the theoretical model and is slightly higher than that of independent component analysis (ICA). EMD-ICA could overcome the limitation of ICA having to process multiple observations and slightly improve the extraction accuracy and reliability of gravity tides from relative gravimeter data compared to that estimated with ICA.

Absorption by H2O and H2O-N2 mixtures at 153 GHz

NASA Technical Reports Server (NTRS)

Bauer, A.; Godon, M.; Carlier, J.; Ma, Q.; Tippings, R. H.

1993-01-01

New experimental data on and a theoretical analysis of the absorption coefficient at 153 GHz are presented for pure water vapor and water vapor-nitrogen mixtures. This frequency is 30 GHz lower than the resonant frequency of the nearest strong water line (183 GHz) and complements our previous measurements at 213 GHz. The pressure dependence is observed to be quadratic in the case of pure water vapor, while in the case of mixtures there are both linear and quadratic density components. By fitting our experimental data taken at several temperatures we have obtained the temperature dependence of the absorption. Our experimental data are compared to several theoretical models with and without a continuum contribution, and we find that none of the models is in very good agreement with the data; in the case of pure water vapor, the continuum contribution calculated using the recent theoretical absorption gives the best results. In general, the agreement between the data and the various models is less satisfactory than found previously in the high-frequency wing. The anisotropy in the observed absorption differs from that currently used in atmospheric models.

Toward a domain theory in English as a second language.

PubMed

Strong-Krause, Diane

2009-01-01

This paper demonstrates how domain theory development is enhanced by using both theoretical data and empirical data. The study explored the domain of speaking English as a second language (ESL) comparing hypothetical data on speaking tasks provided by an experienced teacher and by a certified ACTFL oral proficiency interview rater with observed data from scores on a computer-delivered speaking exam. While the hypothetical data and observed data showed similar patterns in task difficulty in general, some tasks were identified as being much easier or harder than expected. These differences raise questions not only about test task design but also about the theoretical underpinnings of the domain. The results of the study suggest that this approach, where theory and data are examined together, will improve test design as well as benefit domain theory development.

Theoretical Accuracy of Global Snow-Cover Mapping Using Satellite Data in the Earth Observing System (EOS) Era

NASA Technical Reports Server (NTRS)

Hall, D. K.; Foster, J. L.; Salomonson, V. V.; Klein, A. G.; Chien, J. Y. L.

1998-01-01

Following the launch of the Earth Observing System first morning (EOS-AM1) satellite, daily, global snow-cover mapping will be performed automatically at a spatial resolution of 500 m, cloud-cover permitting, using Moderate Resolution Imaging Spectroradiometer (MODIS) data. A technique to calculate theoretical accuracy of the MODIS-derived snow maps is presented. Field studies demonstrate that under cloud-free conditions when snow cover is complete, snow-mapping errors are small (less than 1%) in all land covers studied except forests where errors are greater and more variable. The theoretical accuracy of MODIS snow-cover maps is largely determined by percent forest cover north of the snowline. Using the 17-class International Geosphere-Biosphere Program (IGBP) land-cover maps of North America and Eurasia, the Northern Hemisphere is classified into seven land-cover classes and water. Snow-mapping errors estimated for each of the seven land-cover classes are extrapolated to the entire Northern Hemisphere for areas north of the average continental snowline for each month. Average monthly errors for the Northern Hemisphere are expected to range from 5 - 10%, and the theoretical accuracy of the future global snow-cover maps is 92% or higher. Error estimates will be refined after the first full year that MODIS data are available.

Python for Information Theoretic Analysis of Neural Data

PubMed Central

Ince, Robin A. A.; Petersen, Rasmus S.; Swan, Daniel C.; Panzeri, Stefano

2008-01-01

Information theory, the mathematical theory of communication in the presence of noise, is playing an increasingly important role in modern quantitative neuroscience. It makes it possible to treat neural systems as stochastic communication channels and gain valuable, quantitative insights into their sensory coding function. These techniques provide results on how neurons encode stimuli in a way which is independent of any specific assumptions on which part of the neuronal response is signal and which is noise, and they can be usefully applied even to highly non-linear systems where traditional techniques fail. In this article, we describe our work and experiences using Python for information theoretic analysis. We outline some of the algorithmic, statistical and numerical challenges in the computation of information theoretic quantities from neural data. In particular, we consider the problems arising from limited sampling bias and from calculation of maximum entropy distributions in the presence of constraints representing the effects of different orders of interaction in the system. We explain how and why using Python has allowed us to significantly improve the speed and domain of applicability of the information theoretic algorithms, allowing analysis of data sets characterized by larger numbers of variables. We also discuss how our use of Python is facilitating integration with collaborative databases and centralised computational resources. PMID:19242557

Theory and simulation of electrolyte mixtures

NASA Astrophysics Data System (ADS)

Lee, B. Hribar; Vlachy, V.; Bhuiyan, L. B.; Outhwaite, C. W.; Molero, M.

Monte Carlo simulation and theoretical results on some aspects of thermodynamics of mixtures of electrolytes with a common species are presented. Both charge symmetric mixtures, where ions differ only in size, and charge asymmetric but size symmetric mixtures at ionic strength ranging generally from I = 10-4 to 1.0 M, and in a few cases up to I = M, are examined. The theoretical methods explored are: (i) the symmetric Poisson-Boltzmann theory, (ii) the modified Poisson-Boltzmann theory and (iii) the hypernetted-chain integral equation. The first two electrolyte mixing coefficients w0 and w1 of the various mixtures are calculated from an accurate determination of their osmotic pressure data. The theories are seen to be consistent among themselves, and with certain limiting laws in the literature, in predicting the trends of the mixing coefficients with respect to ionic strength. Some selected relevant experimental data have been analysed and compared with the theoretical and simulation trends. In addition the mean activity coefficients for a model mimicking the mixture of KCl and KF electrolytes are calculated and hence the Harned coefficients obtained for this system. These calculations are compared with the experimental data and Monte Carlo results available in the literature. The theoretically predicted Harned coefficients are in good agreement with the simulation results for the model KCl-KF mixture.

Assssment and Mapping of the Riverine Hydrokinetic Resource in the Continental United States

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

Jacobson, Paul T.; Ravens, Thomas M.; Cunningham, Keith W.

2012-12-14

The U.S. Department of Energy (DOE) funded the Electric Power Research Institute and its collaborative partners, University of Alaska ? Anchorage, University of Alaska ? Fairbanks, and the National Renewable Energy Laboratory, to provide an assessment of the riverine hydrokinetic resource in the continental United States. The assessment benefited from input obtained during two workshops attended by individuals with relevant expertise and from a National Research Council panel commissioned by DOE to provide guidance to this and other concurrent, DOE-funded assessments of water based renewable energy. These sources of expertise provided valuable advice regarding data sources and assessment methodology. Themore » assessment of the hydrokinetic resource in the 48 contiguous states is derived from spatially-explicit data contained in NHDPlus ?a GIS-based database containing river segment-specific information on discharge characteristics and channel slope. 71,398 river segments with mean annual flow greater than 1,000 cubic feet per second (cfs) mean discharge were included in the assessment. Segments with discharge less than 1,000 cfs were dropped from the assessment, as were river segments with hydroelectric dams. The results for the theoretical and technical resource in the 48 contiguous states were found to be relatively insensitive to the cutoff chosen. Raising the cutoff to 1,500 cfs had no effect on estimate of the technically recoverable resource, and the theoretical resource was reduced by 5.3%. The segment-specific theoretical resource was estimated from these data using the standard hydrological engineering equation that relates theoretical hydraulic power (Pth, Watts) to discharge (Q, m3 s-1) and hydraulic head or change in elevation (??, m) over the length of the segment, where ? is the specific weight of water (9800 N m-3): ??? = ? ? ?? For Alaska, which is not encompassed by NPDPlus, hydraulic head and discharge data were manually obtained from Idaho National Laboratory?s Virtual Hydropower Prospector, Google Earth, and U.S. Geological Survey gages. Data were manually obtained for the eleven largest rivers with average flow rates greater than 10,000 cfs and the resulting estimate of the theoretical resource was expanded to include rivers with discharge between 1,000 cfs and 10,000 cfs based upon the contribution of rivers in the latter flow class to the total estimate in the contiguous 48 states. Segment-specific theoretical resource was aggregated by major hydrologic region in the contiguous, lower 48 states and totaled 1,146 TWh/yr. The aggregate estimate of the Alaska theoretical resource is 235 TWh/yr, yielding a total theoretical resource estimate of 1,381 TWh/yr for the continental US. The technically recoverable resource in the contiguous 48 states was estimated by applying a recovery factor to the segment-specific theoretical resource estimates. The recovery factor scales the theoretical resource for a given segment to take into account assumptions such as minimum required water velocity and depth during low flow conditions, maximum device packing density, device efficiency, and flow statistics (e.g., the 5 percentile flow relative to the average flow rate). The recovery factor also takes account of ?back effects? ? feedback effects of turbine presence on hydraulic head and velocity. The recovery factor was determined over a range of flow rates and slopes using the hydraulic model, HEC-RAS. In the hydraulic modeling, presence of turbines was accounted for by adjusting the Manning coefficient. This analysis, which included 32 scenarios, led to an empirical function relating recovery factor to slope and discharge. Sixty-nine percent of NHDPlus segments included in the theoretical resource estimate for the contiguous 48 states had an estimated recovery factor of zero. For Alaska, data on river slope was not readily available; hence, the recovery factor was estimated based on the flow rate alone. Segment-specific estimates of the theoretical resource were multiplied by the corresponding recovery factor to estimate the technically recoverable resource. The resulting technically recoverable resource estimate for the continental United States is 120 TWh/yr.« less

One-dimensional barcode reading: an information theoretic approach

NASA Astrophysics Data System (ADS)

Houni, Karim; Sawaya, Wadih; Delignon, Yves

2008-03-01

In the convergence context of identification technology and information-data transmission, the barcode found its place as the simplest and the most pervasive solution for new uses, especially within mobile commerce, bringing youth to this long-lived technology. From a communication theory point of view, a barcode is a singular coding based on a graphical representation of the information to be transmitted. We present an information theoretic approach for 1D image-based barcode reading analysis. With a barcode facing the camera, distortions and acquisition are modeled as a communication channel. The performance of the system is evaluated by means of the average mutual information quantity. On the basis of this theoretical criterion for a reliable transmission, we introduce two new measures: the theoretical depth of field and the theoretical resolution. Simulations illustrate the gain of this approach.

One-dimensional barcode reading: an information theoretic approach.

PubMed

Houni, Karim; Sawaya, Wadih; Delignon, Yves

2008-03-10

In the convergence context of identification technology and information-data transmission, the barcode found its place as the simplest and the most pervasive solution for new uses, especially within mobile commerce, bringing youth to this long-lived technology. From a communication theory point of view, a barcode is a singular coding based on a graphical representation of the information to be transmitted. We present an information theoretic approach for 1D image-based barcode reading analysis. With a barcode facing the camera, distortions and acquisition are modeled as a communication channel. The performance of the system is evaluated by means of the average mutual information quantity. On the basis of this theoretical criterion for a reliable transmission, we introduce two new measures: the theoretical depth of field and the theoretical resolution. Simulations illustrate the gain of this approach.

A theoretical study of the structure and thermochemical properties of alkali metal fluoroplumbates MPbF3.

PubMed

Boltalin, A I; Korenev, Yu M; Sipachev, V A

2007-07-19

Molecular constants of MPbF3 (M=Li, Na, K, Rb, and Cs) were calculated theoretically at the MP2(full) and B3LYP levels with the SDD (Pb, K, Rb, and Cs) and cc-aug-pVQZ (F, Li, and Na) basis sets to determine the thermochemical characteristics of the substances. Satisfactory agreement with experiment was obtained, including the unexpected nonmonotonic dependence of substance dissociation energies on the alkali metal atomic number. The bond lengths of the theoretical CsPbF3 model were substantially elongated compared with experimental estimates, likely because of errors in both theoretical calculations and electron diffraction data processing.

Understanding Decision-Making in Specialized Domestic Violence Courts: Can Contemporary Theoretical Frameworks Help Guide These Decisions?

PubMed

Pinchevsky, Gillian M

2016-05-22

This study fills a gap in the literature by exploring the utility of contemporary courtroom theoretical frameworks-uncertainty avoidance, causal attribution, and focal concerns-for explaining decision-making in specialized domestic violence courts. Using data from two specialized domestic violence courts, this study explores the predictors of prosecutorial and judicial decision-making and the extent to which these factors are congruent with theoretical frameworks often used in studies of court processing. Findings suggest that these theoretical frameworks only partially help explain decision-making in the courts under study. A discussion of the findings and implications for future research is provided. © The Author(s) 2016.

Theoretical NMR and conformational analysis of solvated oximes for organophosphates-inhibited acetylcholinesterase reactivation

NASA Astrophysics Data System (ADS)

da Silva, Jorge Alberto Valle; Modesto-Costa, Lucas; de Koning, Martijn C.; Borges, Itamar; França, Tanos Celmar Costa

2018-01-01

In this work, quaternary and non-quaternary oximes designed to bind at the peripheral site of acetylcholinesterase previously inhibited by organophosphates were investigated theoretically. Some of those oximes have a large number of degrees of freedom, thus requiring an accurate method to obtain molecular geometries. For this reason, the density functional theory (DFT) was employed to refine their molecular geometries after conformational analysis and to compare their 1H and 13C nuclear magnetic resonance (NMR) theoretical signals in gas-phase and in solvent. A good agreement with experimental data was achieved and the same theoretical approach was employed to obtain the geometries in water environment for further studies.

Correlations among experimental and theoretical NMR data to determine the absolute stereochemistry of darcyribeirine, a pentacyclic indole alkaloid isolated from Rauvolfia grandiflora

NASA Astrophysics Data System (ADS)

Cancelieri, Náuvia Maria; Ferreira, Thiago Resende; Vieira, Ivo José Curcino; Braz-Filho, Raimundo; Piló-Veloso, Dorila; Alcântara, Antônio Flávio de Carvalho

2015-10-01

Darcyribeirine (1) is a pentacyclic indole alkaloid isolated from Rauvolfia grandiflora. Stereochemistry of 1 was previously proposed based on 1D (coupling constant data) and 2D (NOESY correlations) NMR techniques, having been established a configuration 3R, 15S, and 20R (isomer 1a). Stereoisomers of 1 (i.e., 1a-1h) can be grouped into four sets of enantiomers. Carbon chemical shifts and hydrogen coupling constants were calculated using BLYP/6-31G* theory level for the eight isomers of 1. Calculated NMR data of 1a-1h were correlated with the corresponding experimental data of 1. The best correlations between theoretical and experimental carbon chemical shift data were obtained for the set of enantiomers 1e/1f to structures in the gaseous phase and considering solvent effects (using PCM and explicit models). Similar results were obtained when the same procedure was performed to correlations between theoretical and experimental coupling constant data. Finally, optical rotation calculations indicate 1e as its absolute stereochemistry. Orbital population analysis indicates that the hydrogen bonding between N-H of 1e and DMSO is due to contributions of its frontier unoccupied molecular orbitals, mainly LUMO+1, LUMO+2, and LUMO+3.

Impact of theoretical priors in cosmological analyses: The case of single field quintessence

NASA Astrophysics Data System (ADS)

Peirone, Simone; Martinelli, Matteo; Raveri, Marco; Silvestri, Alessandra

2017-09-01

We investigate the impact of general conditions of theoretical stability and cosmological viability on dynamical dark energy models. As a powerful example, we study whether minimally coupled, single field quintessence models that are safe from ghost instabilities, can source the Chevallier-Polarski-Linder (CPL) expansion history recently shown to be mildly favored by a combination of cosmic microwave background (Planck) and weak lensing (KiDS) data. We find that in their most conservative form, the theoretical conditions impact the analysis in such a way that smooth single field quintessence becomes significantly disfavored with respect to the standard Λ CDM cosmological model. This is due to the fact that these conditions cut a significant portion of the (w0,wa) parameter space for CPL, in particular, eliminating the region that would be favored by weak lensing data. Within the scenario of a smooth dynamical dark energy parametrized with CPL, weak lensing data favors a region that would require multiple fields to ensure gravitational stability.

Scaling of spectra in grid turbulence with a mean cross-stream temperature gradient

NASA Astrophysics Data System (ADS)

Bahri, Carla; Arwatz, Gilad; Mueller, Michael E.; George, William K.; Hultmark, Marcus

2014-11-01

Scaling of grid turbulence with a constant mean cross-stream temperature gradient is investigated using a combination of theoretical predictions, DNS, and experimental data. Conditions for self-similarity of the governing equations and the scalar spectrum are investigated, which reveals necessary conditions for self-similarity to exist. These conditions provide a theoretical framework for scaling of the temperature spectrum as well as the temperature flux spectrum. One necessary condition, predicted by the theory, is that the characteristic length scale describing the scalar spectrum must vary as √{ t} for a self-similar solution to exist. In order to investigate this, T-NSTAP sensors, specially designed for temperature measurements at high frequencies, were deployed in a heated passive grid turbulence setup together with conventional cold-wires, and complementary DNS calculations were performed to complement and complete the experimental data. These data are used to compare the behavior of different length scales and validate the theoretical predictions.

Electron collisions with small esters: A joint experimental-theoretical investigation

NASA Astrophysics Data System (ADS)

de Souza, G. L. C.; da Silva, L. A.; de Sousa, W. J. C.; Sugohara, R. T.; Iga, I.; dos Santos, A. S.; Machado, L. E.; Homem, M. G. P.; Brescansin, L. M.; Lucchese, R. R.; Lee, M.-T.

2016-03-01

A theoretical and experimental investigation on elastic electron scattering by two small esters, namely, methyl formate and ethyl acetate, is reported. Experimental differential, integral, and momentum-transfer cross sections are given in the 30-1000 eV and 10∘-120∘ ranges. The relative-flow technique was used to determine such quantities. Particularly for methyl formate, a theoretical study was also carried out in the 1-500 eV range. A complex optical potential derived from a Hartree-Fock molecular wave function was used to represent the collision dynamics, whereas the Padé approximation was used to solve the scattering equations. In addition, calculations based on the framework of the independent-atom model (IAM) were also performed for both targets. In general, there is good agreement between our experimental data and the present theoretical results calculated using the Padé approximation. The theoretical results using the IAM also agree well with the experimental data at 200 eV and above. Moreover, for methyl formate, our calculations reveal a 2A'' (π*) resonance at about 3.0 eV and a σ*-type resonance centered at about 8.0 eV in the 2A' scattering channel. The π* resonance is also seen in other targets containing a carbonyl group.

Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections

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

Barbosa, Alessandra Souza; Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2829-516 Caparica; Varella, Márcio T. do N.

2016-08-28

In this work, we report theoretical and experimental cross sections for elastic scattering of electrons by chlorobenzene (ClB). The theoretical integral and differential cross sections (DCSs) were obtained with the Schwinger multichannel method implemented with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR). The calculations with the SMCPP method were done in the static-exchange (SE) approximation, for energies above 12 eV, and in the static-exchange plus polarization approximation, for energies up to 12 eV. The calculations with the IAM-SCAR method covered energies up to 500 eV. The experimental differential cross sections were obtained in themore » high resolution electron energy loss spectrometer VG-SEELS 400, in Lisbon, for electron energies from 8.0 eV to 50 eV and angular range from 7{sup ∘} to 110{sup ∘}. From the present theoretical integral cross section (ICS) we discuss the low-energy shape-resonances present in chlorobenzene and compare our computed resonance spectra with available electron transmission spectroscopy data present in the literature. Since there is no other work in the literature reporting differential cross sections for this molecule, we compare our theoretical and experimental DCSs with experimental data available for the parent molecule benzene.« less

Experimental and theoretical study on the structure and vibrational spectra of β-2-aminopyridinium dihydrogenphosphate

NASA Astrophysics Data System (ADS)

Çırak, Çağrı; Demir, Selçuk; Ucun, Fatih; Çubuk, Osman

2011-08-01

Experimental and theoretical vibrational spectra of β-2-aminopyridinium dihydrogenphosphate (β-2APDP) have been investigated. The FT-IR spectrum of β-2APDP was recorded in the region 4000-400 cm -1. The optimized molecular structure and theoretical vibrational frequencies of β-2APDP have been investigated using ab initio Hartree-Fock (HF) and density functional B3LYP method with 6-311++G(d,p) basis set. The optimized geometric parameters (bond lengths and bond angles) and theoretical frequencies have been compared with the corresponding experimental data and it is found that they agree well with each other. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Furthermore, the used scale factors were obtained from the ratio of the frequency values of the strongest peaks in the experimental and theoretical IR spectra. From the results it was concluded that the B3LYP method is superior to the HF method for the vibrational frequencies.

An Information-Theoretic-Cluster Visualization for Self-Organizing Maps.

PubMed

Brito da Silva, Leonardo Enzo; Wunsch, Donald C

2018-06-01

Improved data visualization will be a significant tool to enhance cluster analysis. In this paper, an information-theoretic-based method for cluster visualization using self-organizing maps (SOMs) is presented. The information-theoretic visualization (IT-vis) has the same structure as the unified distance matrix, but instead of depicting Euclidean distances between adjacent neurons, it displays the similarity between the distributions associated with adjacent neurons. Each SOM neuron has an associated subset of the data set whose cardinality controls the granularity of the IT-vis and with which the first- and second-order statistics are computed and used to estimate their probability density functions. These are used to calculate the similarity measure, based on Renyi's quadratic cross entropy and cross information potential (CIP). The introduced visualizations combine the low computational cost and kernel estimation properties of the representative CIP and the data structure representation of a single-linkage-based grouping algorithm to generate an enhanced SOM-based visualization. The visual quality of the IT-vis is assessed by comparing it with other visualization methods for several real-world and synthetic benchmark data sets. Thus, this paper also contains a significant literature survey. The experiments demonstrate the IT-vis cluster revealing capabilities, in which cluster boundaries are sharply captured. Additionally, the information-theoretic visualizations are used to perform clustering of the SOM. Compared with other methods, IT-vis of large SOMs yielded the best results in this paper, for which the quality of the final partitions was evaluated using external validity indices.

A comparison of experimental and theoretical results for rotordynamic coefficients of four annular gas seals

NASA Technical Reports Server (NTRS)

Childs, D. W.; Nelson, C. C.; Elrod, D.; Nicks, C.

1985-01-01

The test facility and initial test program developed to experimentally measure the fluid forces induced by annular gas seals is described. A comparison of theoretically predicted and experimentally obtained data for smooth and honeycomb seals is provided. And a comparison of experimental data from the tests of three smooth-rotor/smooth-stator seals is provided. The leakage of the working fluid through the seal, the pressure gradient along the seal length, entrance pressure-loss data, and rotordynamic coefficients provide a basis for comparison. A short discussion on seal theory is included, and various rotordynamic coefficient identification schemes are described.

Description and Recognition of the Concept of Social Capital in Higher Education System

ERIC Educational Resources Information Center

Tonkaboni, Forouzan; Yousefy, Alireza; Keshtiaray, Narges

2013-01-01

The current research is intended to describe and recognize the concept of social capital in higher education based on theoretical method in a descriptive-analytical approach. Description and Recognition of the data, gathered from theoretical and experimental studies, indicated that social capital is one of the most important indices for…

Investigating Linguistic, Literary, and Social Affordances of L2 Collaborative Reading

ERIC Educational Resources Information Center

Thoms, Joshua J.; Poole, Frederick

2017-01-01

This exploratory study analyzes learner-learner interactions within a virtual environment when collaboratively reading Spanish poetry in a Hispanic literature course at the college level via an ecological theoretical perspective (van Lier, 2004). The goals of the study are (a) to present empirical data that illustrate the theoretical construct of…

Localizing College Retention Efforts: The Distance between Theoretical Orientation and Institution-Specific Needs

ERIC Educational Resources Information Center

Xu, Yonghong Jade

2017-01-01

The study used a theoretically guided questionnaire to examine student experience in college and to gain a better understanding about how college environment affects student persistence. Data were collected from a single four-year institution; the findings suggest that institutional control over academic quality is the most critical factor in…

From Theory to Data: The Process of Refining Learning Progressions

ERIC Educational Resources Information Center

Shea, Nicole A.; Duncan, Ravit Golan

2013-01-01

Learning progressions (LPs) are theoretical models of how learners develop expertise in a domain over extended periods of time. Recent policy reports have touted LPs as a promising approach to aligning standards, curriculum, and assessment. However, the scholarship on LPs is relatively sparse, and the jury is still out on the theoretical and…

Measuring Experiential Avoidance: A Preliminary Test of a Working Model

ERIC Educational Resources Information Center

Hayes, Steven C.; Strosahl, Kirk; Wilson, Kelly G.; Bissett, Richard T.; Pistorello, Jacqueline; Toarmino, Dosheen; Polusny, Melissa A.; Dykstra, Thane A.; Batten, Sonja V.; Bergan, John; Stewart, Sherry H.; Zvolensky, Michael J.; Eifert, Georg H.; Bond, Frank W.; Forsyth, John P.; Karekla, Maria; Mccurry, Susan M.

2004-01-01

The present study describes the development of a short, general measure of experiential avoidance, based on a specific theoretical approach to this process. A theoretically driven iterative exploratory analysis using structural equation modeling on data from a clinical sample yielded a single factor comprising 9 items. A fully confirmatory factor…

Theoretical Development, Factorial Validity, and Reliability of the Online Graduate Mentoring Scale

ERIC Educational Resources Information Center

Crawford, Linda M.; Randolph, Justus J.; Yob, Iris M.

2014-01-01

In this study, we sought to confirm the theoretical framework underlying an Online Graduate Mentoring Scale by establishing the scale's factorial validity and reliability. Analysis of data received from doctoral students and alumni/ae of the College of Education of one large, online, accredited university reduced the initial theoretical…

A Political Multi-Layered Approach to Researching Children's Digital Literacy Practices

ERIC Educational Resources Information Center

Koutsogiannis, Dimitris

2007-01-01

This paper attempts to present a theoretical framework for researching the out-of-school digital literacy practices of Greek adolescents. The broader aim, however, is to discuss the theoretical and methodological issues concerning research designs to investigate literacy practices in the globalisation era. Based on data representing local and…

A Content Analysis of Nine Literacy Journals, 2009-2014

ERIC Educational Resources Information Center

Parsons, Seth A.; Gallagher, Melissa A.

2016-01-01

The purpose of this study was to determine the topics being studied, theoretical perspectives being used, and methods being implemented in current literacy research. A research team completed a content analysis of nine journals from 2009 to 2014 to gather data. In the 1,238 articles analyzed, the topics, theoretical perspectives, research designs,…

Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies.

PubMed

Valente, Marco A G; Teixeira, Deiver A; Azevedo, David L; Feliciano, Gustavo T; Benedetti, Assis V; Fugivara, Cecílio S

2017-01-01

The interaction of volatile corrosion inhibitors (VCI), caprylate salt derivatives from amines, with zinc metallic surfaces is assessed by density functional theory (DFT) computer simulations, electrochemical impedance (EIS) measurements and humid chamber tests. The results obtained by the different methods were compared, and linear correlations were obtained between theoretical and experimental data. The correlations between experimental and theoretical results showed that the molecular size is the determining factor in the inhibition efficiency. The models used and experimental results indicated that dicyclohexylamine caprylate is the most efficient inhibitor.

A theoretical study of a laminar diffusion flame

NASA Technical Reports Server (NTRS)

Frair, K. L.

1978-01-01

Theoretical models of an axisymmetric laminar diffusion flame are discussed, with an emphasis on the behavior of such flames at increasing pressures. The flame-sheet or Burke-Schumann model (in terms of Bessel functions) and various boundary layer numerical solutions are presented and their results compared with experimental data. The most promising theoretical model combines the numerical flow field solution of the Patankar-Spalding computer code with the Pratt-Wormeck chemical reaction subroutine. The flame shapes for pressures of 1, 5, 10, 20, and 50 atmospheres were computed and agree remarkably well with experimental data. There is a noticeable shape change with pressure, believed to be a result of buoyancy effects. The chemical concentration profiles do not exhibit much dependence on pressure, a reflection of the fact that only one chemical mechanism was utilized at all pressures.

Optimal sampling and quantization of synthetic aperture radar signals

NASA Technical Reports Server (NTRS)

Wu, C.

1978-01-01

Some theoretical and experimental results on optimal sampling and quantization of synthetic aperture radar (SAR) signals are presented. It includes a description of a derived theoretical relationship between the pixel signal to noise ratio of processed SAR images and the number of quantization bits per sampled signal, assuming homogeneous extended targets. With this relationship known, a solution may be realized for the problem of optimal allocation of a fixed data bit-volume (for specified surface area and resolution criterion) between the number of samples and the number of bits per sample. The results indicate that to achieve the best possible image quality for a fixed bit rate and a given resolution criterion, one should quantize individual samples coarsely and thereby maximize the number of multiple looks. The theoretical results are then compared with simulation results obtained by processing aircraft SAR data.

Theoretical evaluation of the reaction rates for {sup 26}Al(n,p){sup 26}Mg and {sup 26}Al(n,{alpha}){sup 23}Na

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

Oginni, B. M.; Iliadis, C.; Champagne, A. E.

2011-02-15

The reactions that destroy {sup 26}Al in massive stars have significance in a number of astrophysical contexts. We evaluate the reaction rates of {sup 26}Al(n,p){sup 26}Mg and {sup 26}Al(n,{alpha}){sup 23}Na using cross sections obtained from the codes empire and talys. These have been compared to the published rates obtained from the non-smoker code and to some experimental data. We show that the results obtained from empire and talys are comparable to those from non-smoker. We also show how the theoretical results vary with respect to changes in the input parameters. Finally, we present recommended rates for these reactions using themore » available experimental data and our new theoretical results.« less

Automated potentiometric procedure for studying dissolution kinetics acidic drugs under sink conditions.

PubMed

Underwood, F L; Cadwallader, D E

1978-08-01

An automated potentiometric procedure was used for studying in vitro dissolution kinetics of acidic drugs. Theoretical considerations indicated that the pH-stat method could be used to establish approximate sink conditions or, possibly, a perfect sink. Data obtained from dissolution studies using the pH-stat method were compared with data obtained from known sink and nonsink conditions. These comparisons indicated that the pH-stat method can be used to establish a sink condition for dissolution studies. The effective diffusion layer thicknesses for benzoic and salicylic acids dissolving in water were determined, and a theoretical dissolution rate was calculated utilizing these values. The close agreement between the experimental dissolution rates obtained under pH-stat conditions and theoretical dissolution rates indicated that perfect sink conditions were established under the experimental conditions used.

Electronic properties of CdWO{sub 4}: Use of hybrid exchange and correlation functionals

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

Meena, B. S., E-mail: bsmphysics@gmail.com; Mund, H. S.; Ahuja, B. L.

Energy bands, density of states (DOS), Mulliken population (MP) and electron momentum densities (EMDs) of CdWO{sub 4} are presented using hybrid exchange and correlation functionals namely B3LYP, B3PW and PBE0. To validate the present hybrid potentials, theoretical EMDs have been compared with the experimental Compton profile. It is found that LCAO-B3LYP based Compton profile gives a better agreement with experiment than other theoretical profiles. The energy bands and DOS show a wide band gap semiconducting nature of CdWO{sub 4}. The theoretical band gap obtained using B3LYP scheme reconciles well with the available experimental data. In addition, we have also presentedmore » the anisotropies in EMDs along [100], [110] and [001] directions and the bonding effects using the MP data.« less

[Facing the difficult experience even with support: the underage adolescent experiencing motherhood].

PubMed

Andrade, Paula Rosenberg de; Ohara, Conceição Vieira da Silva; Borba, Regina Issuzu Hirooka de; Ribeiro, Circéa Amalia

2015-01-01

To understand the meaning of childcare for the underage adolescent mother, to reveal the demands of care and to build a theoretical model based on this experience. Qualitative research with symbolic interactionism as the theoretical framework and the grounded theory as the methodological framework; nine adolescents participated in the study. The semi-structured interview was used to collect data from September 2008 to September 2011, during paediatric nursing consultation at the Centro Assistencial Cruz de Malta, a philanthropic institution in the city of São Paulo/Brazil. Data analysis led to the construction of the theoretical model,Facing a difficult experience even with support. The experience shows that the difficulties to care for a child, even with help, are not met, only mitigated, and that underage adolescents do not have the maturity to cope with this experience.

A theoretical analysis of the effect of thrust-related turbulence distortion on helicopter rotor low-frequency broadband noise

NASA Technical Reports Server (NTRS)

Williams, M.; Harris, W. L.

1984-01-01

The purpose of the analysis is to determine if inflow turbulence distortion may be a cause of experimentally observed changes in sound pressure levels when the rotor mean loading is varied. The effect of helicopter rotor mean aerodynamics on inflow turbulence is studied within the framework of the turbulence rapid distortion theory developed by Pearson (1959) and Deissler (1961). The distorted inflow turbulence is related to the resultant noise by conventional broadband noise theory. A comparison of the distortion model with experimental data shows that the theoretical model is unable to totally explain observed increases in model rotor sound pressures with increased rotor mean thrust. Comparison of full scale rotor data with the theoretical model shows that a shear-type distortion may explain decreasing sound pressure levels with increasing thrust.

Quasi solution of radiation transport equation

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

Pogosbekyan, L.R.; Lysov, D.A.

There is uncertainty with experimental data as well as with input data of theoretical calculations. The neutron distribution from the variational principle, which takes into account both theoretical and experimental data, is obtained to increase the accuracy and speed of neutronic calculations. The neutron imbalance in mesh cells and the discrepancy between experimentally measured and calculated functional of the neutron distribution are simultaneously minimized. A fast-working and simple-programming iteration method is developed to minimize the objective functional. The method can be used in the core monitoring and control system for (a) power distribution calculations, (b) in- and ex-core detector calibration,more » (c) macro-cross sections or isotope distribution correction by experimental data, and (d) core and detector diagnostics.« less

Is it really theoretical? A review of sampling in grounded theory studies in nursing journals.

PubMed

McCrae, Niall; Purssell, Edward

2016-10-01

Grounded theory is a distinct method of qualitative research, where core features are theoretical sampling and constant comparative analysis. However, inconsistent application of these activities has been observed in published studies. This review assessed the use of theoretical sampling in grounded theory studies in nursing journals. An adapted systematic review was conducted. Three leading nursing journals (2010-2014) were searched for studies stating grounded theory as the method. Sampling was assessed using a concise rating tool. A high proportion (86%) of the 134 articles described an iterative process of data collection and analysis. However, half of the studies did not demonstrate theoretical sampling, with many studies declaring or indicating a purposive sampling approach throughout. Specific reporting guidelines for grounded theory studies should be developed to ensure that study reports describe an iterative process of fieldwork and theoretical development. © 2016 John Wiley & Sons Ltd.

Time variation in the reaction-zone structure of two-phase spray detonations.

NASA Technical Reports Server (NTRS)

Pierce, T. H.; Nicholls, J. A.

1973-01-01

A detailed theoretical analysis of the time-varying detonation structure in a monodisperse spray is presented. The theory identifies experimentally observed reaction-zone overpressures as deriving from blast waves formed therein by the explosive ignition of the spray droplets, and follows in time the motion, change in strength, and interactions of these blast waves with one another, and with the leading shock. The results are compared with experimental data by modeling the motion of a finite-size circular pressure transducer through the theoretical data field in an x-t space.

Studies of the dependence of the microwave radar cross section on ocean surface variables during the FASINEX experiment

NASA Technical Reports Server (NTRS)

Weissman, D. A.; Li, Fuk

1988-01-01

The ability of theoretical radar cross section (RCS) models to predict the absolute magnitude of the ocean radar cross section under a wide variety of sea and atmospheric conditions was studied using experimental data from the FASINEX Experiment. This consists of RCS data from a Ku-band scatterometer mounted on an aircraft (10 separate flights were conducted), a wide variety of atmospheric measurements (including stress) and sea conditions. Theoretical models are tested. Where discrepancies are observed, revisions are hypothesized and evaluated.

Charged particle and magnetic field research in space

NASA Technical Reports Server (NTRS)

1972-01-01

Research completed and in progress is described, related publications and reports are listed, and abstracts of papers and talks on results of the research are given. The charged particle research centered on OGO-5 and OGO-6 electron spectrometer data, and theoretical radiation belt studies. Work on the ATS-1 magnetometer project included development of production data reduction programs, development of spectral analysis procedures, and scientific studies of ULF waves at synchronous orbit. The magnetic fields research also included work on the Mariner project and theoretical studies on the solar wind.

Experimental-theoretical investigation of the vibration characteristics of rotating composite box beams

NASA Astrophysics Data System (ADS)

Chandra, Ramesh; Chopra, Inderjit

1992-08-01

The objective of the study was to predict the effect of elastic couplings on the free vibration characteristics of thin-walled composite box beams and to correlate the results with experimental data. The free vibration characteristics of coupled thin-walled composite beams under rotation were determined using the Galerkin method. The theoretical results were found to be in satisfactory agreement with experimental data obtained for graphite/epoxy, kevlar/epoxy, and glass/epoxy composite beams in an in-vacuo test facility at different rotational speeds.

Absolute Helmholtz free energy of highly anharmonic crystals: theory vs Monte Carlo.

PubMed

Yakub, Lydia; Yakub, Eugene

2012-04-14

We discuss the problem of the quantitative theoretical prediction of the absolute free energy for classical highly anharmonic solids. Helmholtz free energy of the Lennard-Jones (LJ) crystal is calculated accurately while accounting for both the anharmonicity of atomic vibrations and the pair and triple correlations in displacements of the atoms from their lattice sites. The comparison with most precise computer simulation data on sublimation and melting lines revealed that theoretical predictions are in excellent agreement with Monte Carlo simulation data in the whole range of temperatures and densities studied.

Theoretical atomic physics code development I: CATS: Cowan Atomic Structure Code

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

Abdallah, J. Jr.; Clark, R.E.H.; Cowan, R.D.

An adaptation of R.D. Cowan's Atomic Structure program, CATS, has been developed as part of the Theoretical Atomic Physics (TAPS) code development effort at Los Alamos. CATS has been designed to be easy to run and to produce data files that can interface with other programs easily. The CATS produced data files currently include wave functions, energy levels, oscillator strengths, plane-wave-Born electron-ion collision strengths, photoionization cross sections, and a variety of other quantities. This paper describes the use of CATS. 10 refs.

Studies of the dependence of the microwave radar cross section on ocean surface variables during the FASINEX experiment

NASA Astrophysics Data System (ADS)

Weissman, D. A.; Li, Fuk

1988-08-01

The ability of theoretical radar cross section (RCS) models to predict the absolute magnitude of the ocean radar cross section under a wide variety of sea and atmospheric conditions was studied using experimental data from the FASINEX Experiment. This consists of RCS data from a Ku-band scatterometer mounted on an aircraft (10 separate flights were conducted), a wide variety of atmospheric measurements (including stress) and sea conditions. Theoretical models are tested. Where discrepancies are observed, revisions are hypothesized and evaluated.

GeneLab

NASA Technical Reports Server (NTRS)

Berrios, Daniel C.; Thompson, Terri G.

2015-01-01

NASA GeneLab is expected to capture and distribute omics data and experimental and process conditions most relevant to research community in their statistical and theoretical analysis of NASAs omics data.

Precision Measurement of Black Hole Binary Dynamics: Analyzing the LISA Data Stream

NASA Technical Reports Server (NTRS)

McWilliams, Sean T.; Thorpe, James Ira; Baker, John G.; Arnaud, Keith A.; Kelly, Bernard J.

2008-01-01

One of the richest potential sources of insight into fundamental physics that LISA will be capable of observing is the inspiral of supermassive black hole binaries (BHBs). However, the data analysis challenge presented by the LISA data stream is quite unlike the situation for present day gravitational wave detectors. In order to make the precision measurements necessary to achieve LISA's science goals, the BHB signal must be distinguished from a data stream that not only contains instrumental noise, but potentially thousands of other signals as well, so that the "background" we wish to separate out to focus on the BHB signal is likely to be highly nonstationary and nongaussian, as well as being of scientific interest in its own right. In addition, whereas the theoretical templates that we calculate in order to ultimately estimate the parameters can afford to be somewhat inaccurate and still be effective for present day and near future detectors, this is not the case for LISA, and extremely high fidelity of the theoretical templates for high signal-to-noise signals will be required to prevent theoretical errors from dominating the parameter estimates. NVe, will describe efforts in the community of LISA data analysts to address the challenges regarding the specific issue of BHB signals. These efforts include using a Markov Chain Monte Carlo approach with the freedom to model the BHB and the other signals present in the data stream simultaneously, rather than trying to remove other signals and risk biasing the remaining data. The Mock LISA Data Challenge is a community of LISA scientists who generate rounds of simulated LISA noise with increasingly difficult signal content, and invite the LISA data analysis community to exercise their methods, or develop new methods, in an attempt to extract the parameters for the signals embedded in the mock data. In addition to practical approaches such ,is this to assess the level of parameter accuracy, one can apply the Fisher matrix formalism to assess both the statistical errors from noise and the theoretical errors

Digital Sound Encryption with Logistic Map and Number Theoretic Transform

NASA Astrophysics Data System (ADS)

Satria, Yudi; Gabe Rizky, P. H.; Suryadi, MT

2018-03-01

Digital sound security has limits on encrypting in Frequency Domain. Number Theoretic Transform based on field (GF 2521 – 1) improve and solve that problem. The algorithm for this sound encryption is based on combination of Chaos function and Number Theoretic Transform. The Chaos function that used in this paper is Logistic Map. The trials and the simulations are conducted by using 5 different digital sound files data tester in Wave File Extension Format and simulated at least 100 times each. The key stream resulted is random with verified by 15 NIST’s randomness test. The key space formed is very big which more than 10469. The processing speed of algorithm for encryption is slightly affected by Number Theoretic Transform.

Analysis of reaction cross-section production in neutron induced fission reactions on uranium isotope using computer code COMPLET.

PubMed

Asres, Yihunie Hibstie; Mathuthu, Manny; Birhane, Marelgn Derso

2018-04-22

This study provides current evidence about cross-section production processes in the theoretical and experimental results of neutron induced reaction of uranium isotope on projectile energy range of 1-100 MeV in order to improve the reliability of nuclear stimulation. In such fission reactions of 235 U within nuclear reactors, much amount of energy would be released as a product that able to satisfy the needs of energy to the world wide without polluting processes as compared to other sources. The main objective of this work is to transform a related knowledge in the neutron-induced fission reactions on 235 U through describing, analyzing and interpreting the theoretical results of the cross sections obtained from computer code COMPLET by comparing with the experimental data obtained from EXFOR. The cross section value of 235 U(n,2n) 234 U, 235 U(n,3n) 233 U, 235 U(n,γ) 236 U, 235 U(n,f) are obtained using computer code COMPLET and the corresponding experimental values were browsed by EXFOR, IAEA. The theoretical results are compared with the experimental data taken from EXFOR Data Bank. Computer code COMPLET has been used for the analysis with the same set of input parameters and the graphs were plotted by the help of spreadsheet & Origin-8 software. The quantification of uncertainties stemming from both experimental data and computer code calculation plays a significant role in the final evaluated results. The calculated results for total cross sections were compared with the experimental data taken from EXFOR in the literature, and good agreement was found between the experimental and theoretical data. This comparison of the calculated data was analyzed and interpreted with tabulation and graphical descriptions, and the results were briefly discussed within the text of this research work. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

A review of the liquid metal diffusion data obtained from the space shuttle endeavour mission STS-47 and the space shuttle columbia mission STS-52

NASA Astrophysics Data System (ADS)

Shirkhanzadeh, Morteza

Accurate data of liquid-phase solute diffusion coefficients are required to validate the condensed -matter physics theories. However, the required data accuracy to discriminate between com-peting theoretical models is 1 to 2 percent(1). Smith and Scott (2) have recently used the measured values of diffusion coefficients for Pb-Au in microgravity to validate the theoretical values of the diffusion coefficients derived from molecular dynamics simulations and several Enskog hard sphere models. The microgravity data used was obtained from the liquid diffusion experiments conducted on board the Space Shuttle Endeavour (mission STS-47) and the Space Shuttle Columbia (mission STS-52). Based on the analysis of the results, it was claimed that the measured values of diffusion coefficients were consistent with the theoretical results and that the data fit a linear relationship with a slope slightly greater than predicted by the molecular dynamics simulations. These conclusions, however, contradict the claims made in previous publications (3-5) where it was reported that the microgravity data obtained from the shuttle experiments fit the fluctuation theory (D proportional to T2). A thorough analysis of data will be presented to demonstrate that the widely-reported micro-gravity results obtained from shuttle experiments are not reliable and sufficiantly accurate to discriminate between competing theoretical models. References: 1. J.P. Garandet, G. Mathiak, V. Botton, P. Lehmann and A. Griesche, Int. J. Thermophysics, 25, 249 (2004). 2.P.J. Scott and R.W. Smith, J. Appl. Physics 104, 043706 (2008). 3. R.W. Smith, Microgravity Sci. Technol. XI (2) 78-84 (1998). 4.Smith et al, Ann. N.Y. Acad. Sci. 974:56-67 (2002) (retracted). 5.R.A. Herring et al, J. Jpn. Soc. Microgravity Appl., Vol.16, 234-244 (1999).

PREFACE: 14th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2011)

NASA Astrophysics Data System (ADS)

Teodorescu, Liliana; Britton, David; Glover, Nigel; Heinrich, Gudrun; Lauret, Jérôme; Naumann, Axel; Speer, Thomas; Teixeira-Dias, Pedro

2012-06-01

ACAT2011 This volume of Journal of Physics: Conference Series is dedicated to scientific contributions presented at the 14th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2011) which took place on 5-7 September 2011 at Brunel University, UK. The workshop series, which began in 1990 in Lyon, France, brings together computer science researchers and practitioners, and researchers from particle physics and related fields in order to explore and confront the boundaries of computing and of automatic data analysis and theoretical calculation techniques. It is a forum for the exchange of ideas among the fields, exploring and promoting cutting-edge computing, data analysis and theoretical calculation techniques in fundamental physics research. This year's edition of the workshop brought together over 100 participants from all over the world. 14 invited speakers presented key topics on computing ecosystems, cloud computing, multivariate data analysis, symbolic and automatic theoretical calculations as well as computing and data analysis challenges in astrophysics, bioinformatics and musicology. Over 80 other talks and posters presented state-of-the art developments in the areas of the workshop's three tracks: Computing Technologies, Data Analysis Algorithms and Tools, and Computational Techniques in Theoretical Physics. Panel and round table discussions on data management and multivariate data analysis uncovered new ideas and collaboration opportunities in the respective areas. This edition of ACAT was generously sponsored by the Science and Technology Facility Council (STFC), the Institute for Particle Physics Phenomenology (IPPP) at Durham University, Brookhaven National Laboratory in the USA and Dell. We would like to thank all the participants of the workshop for the high level of their scientific contributions and for the enthusiastic participation in all its activities which were, ultimately, the key factors in the success of the workshop. Further information on ACAT 2011 can be found at http://acat2011.cern.ch Dr Liliana Teodorescu Brunel University ACATgroup The PDF also contains details of the workshop's committees and sponsors.

An Open Source Tool for Game Theoretic Health Data De-Identification.

PubMed

Prasser, Fabian; Gaupp, James; Wan, Zhiyu; Xia, Weiyi; Vorobeychik, Yevgeniy; Kantarcioglu, Murat; Kuhn, Klaus; Malin, Brad

2017-01-01

Biomedical data continues to grow in quantity and quality, creating new opportunities for research and data-driven applications. To realize these activities at scale, data must be shared beyond its initial point of collection. To maintain privacy, healthcare organizations often de-identify data, but they assume worst-case adversaries, inducing high levels of data corruption. Recently, game theory has been proposed to account for the incentives of data publishers and recipients (who attempt to re-identify patients), but this perspective has been more hypothetical than practical. In this paper, we report on a new game theoretic data publication strategy and its integration into the open source software ARX. We evaluate our implementation with an analysis on the relationship between data transformation, utility, and efficiency for over 30,000 demographic records drawn from the U.S. Census Bureau. The results indicate that our implementation is scalable and can be combined with various data privacy risk and quality measures.

A unified data representation theory for network visualization, ordering and coarse-graining

PubMed Central

Kovács, István A.; Mizsei, Réka; Csermely, Péter

2015-01-01

Representation of large data sets became a key question of many scientific disciplines in the last decade. Several approaches for network visualization, data ordering and coarse-graining accomplished this goal. However, there was no underlying theoretical framework linking these problems. Here we show an elegant, information theoretic data representation approach as a unified solution of network visualization, data ordering and coarse-graining. The optimal representation is the hardest to distinguish from the original data matrix, measured by the relative entropy. The representation of network nodes as probability distributions provides an efficient visualization method and, in one dimension, an ordering of network nodes and edges. Coarse-grained representations of the input network enable both efficient data compression and hierarchical visualization to achieve high quality representations of larger data sets. Our unified data representation theory will help the analysis of extensive data sets, by revealing the large-scale structure of complex networks in a comprehensible form. PMID:26348923

Generating or developing grounded theory: methods to understand health and illness.

PubMed

Woods, Phillip; Gapp, Rod; King, Michelle A

2016-06-01

Grounded theory is a qualitative research methodology that aims to explain social phenomena, e.g. why particular motivations or patterns of behaviour occur, at a conceptual level. Developed in the 1960s by Glaser and Strauss, the methodology has been reinterpreted by Strauss and Corbin in more recent times, resulting in different schools of thought. Differences arise from different philosophical perspectives concerning knowledge (epistemology) and the nature of reality (ontology), demanding that researchers make clear theoretical choices at the commencement of their research when choosing this methodology. Compared to other qualitative methods it has ability to achieve understanding of, rather than simply describing, a social phenomenon. Achieving understanding however, requires theoretical sampling to choose interviewees that can contribute most to the research and understanding of the phenomenon, and constant comparison of interviews to evaluate the same event or process in different settings or situations. Sampling continues until conceptual saturation is reached, i.e. when no new concepts emerge from the data. Data analysis focusses on categorising data (finding the main elements of what is occurring and why), and describing those categories in terms of properties (conceptual characteristics that define the category and give meaning) and dimensions (the variations within properties which produce specificity and range). Ultimately a core category which theoretically explains how all other categories are linked together is developed from the data. While achieving theoretical abstraction in the core category, it should be logical and capture all of the variation within the data. Theory development requires understanding of the methodology not just working through a set of procedures. This article provides a basic overview, set in the literature surrounding grounded theory, for those wanting to increase their understanding and quality of research output.

Theoretical accuracy in cosmological growth estimation

NASA Astrophysics Data System (ADS)

Bose, Benjamin; Koyama, Kazuya; Hellwing, Wojciech A.; Zhao, Gong-Bo; Winther, Hans A.

2017-07-01

We elucidate the importance of the consistent treatment of gravity-model specific nonlinearities when estimating the growth of cosmological structures from redshift space distortions (RSD). Within the context of standard perturbation theory (SPT), we compare the predictions of two theoretical templates with redshift space data from COLA (comoving Lagrangian acceleration) simulations in the normal branch of DGP gravity (nDGP) and general relativity (GR). Using COLA for these comparisons is validated using a suite of full N-body simulations for the same theories. The two theoretical templates correspond to the standard general relativistic perturbation equations and those same equations modeled within nDGP. Gravitational clustering nonlinear effects are accounted for by modeling the power spectrum up to one-loop order and redshift space clustering anisotropy is modeled using the Taruya, Nishimichi and Saito (TNS) RSD model. Using this approach, we attempt to recover the simulation's fiducial logarithmic growth parameter f . By assigning the simulation data with errors representing an idealized survey with a volume of 10 Gpc3/h3 , we find the GR template is unable to recover fiducial f to within 1 σ at z =1 when we match the data up to kmax=0.195 h /Mpc . On the other hand, the DGP template recovers the fiducial value within 1 σ . Further, we conduct the same analysis for sets of mock data generated for generalized models of modified gravity using SPT, where again we analyze the GR template's ability to recover the fiducial value. We find that for models with enhanced gravitational nonlinearity, the theoretical bias of the GR template becomes significant for stage IV surveys. Thus, we show that for the future large data volume galaxy surveys, the self-consistent modeling of non-GR gravity scenarios will be crucial in constraining theory parameters.

Growing Mathematical Understanding through Collective Image Making, Collective Image Having, and Collective Property Noticing

ERIC Educational Resources Information Center

Martin, Lyndon C.; Towers, Jo

2015-01-01

In the research reported in this paper, we develop a theoretical perspective to describe and account for the growth of collective mathematical understanding. We discuss collective processes in mathematics, drawing in particular on theoretical work in the domains of improvisational jazz and theatre. Using examples of data from a study of elementary…

Diphosphoglycerate and Inosine Hexaphosphate Control of Oxygen Binding by Hemoglobin: A Theoretical Interpretation of Experimental Data*

PubMed Central

Ling, Gilbert N.

1970-01-01

A theoretical equation is presented for the control of cooperative adsorption on proteins and other linear macromolecules by hormones, drugs, ATP, and other „cardinal adsorbents.” With reasonable accuracy, this equation describes quantitatively the control of oxygen binding to hemoglobin by 2,3-diphosphoglycerate and by inosine hexaphosphate. PMID:5272319

Evaluating the Stressors of Divorce: Theoretical and Pragmatic Concerns.

ERIC Educational Resources Information Center

Burrell, Nancy A.; And Others

A study tested a theoretical model using data from court-ordered sessions about the utility of divorce mediation. Subjects, 974 couples who had filed for divorce with potential child-custody disputes, were informed about the process of mediation as a means to settle their custody disputes rather than relying on the court system to resolve their…

A theoretical analysis of the current-voltage characteristics of solar cells

NASA Technical Reports Server (NTRS)

Fang, R. C. Y.; Hauser, J. R.

1977-01-01

The correlation of theoretical and experimental data is discussed along with the development of a complete solar cell analysis. The dark current-voltage characteristics, and the parameters for solar cells are analyzed. The series resistance, and impurity gradient effects on solar cells were studied, the effects of nonuniformities on solar cell performance were analyzed.

Isosinglet approximation for nonelastic reactions

NASA Technical Reports Server (NTRS)

Wilson, J. W.

1972-01-01

Group theoretic relations are derived between different combinations of projectile and secondary particles which appear to have a broad range of application in spacecraft shielding or radiation damage studies. These relations are used to reduce the experimental effort required to obtain nuclear reaction data for transport calculations. Implications for theoretical modeling are also noted, especially for heavy-heavy reactions.

The Stratosphere 1981: Theory and measurements

NASA Technical Reports Server (NTRS)

1982-01-01

Measurements of trace species are compared with theoretical estimates and the similarities and the differences between the two sets of data are discussed. The theoretical predictions are compared with long term trends in both column content and altitude profile of ozone as observed from ground-based and satellite instruments. The chemical kinetics and photochemistry of the stratosphere were reviewed.

Gender Differences in Depressive Symptoms during Adolescence: The Contributions of Weight-Related Concerns and Behaviors

ERIC Educational Resources Information Center

Vaughan, Christine A.; Halpern, Carolyn T.

2010-01-01

A theoretical model of gender differences in depressive symptoms during adolescence was evaluated using data from Waves I and II of the National Longitudinal Study of Adolescent Health. The theoretical model under examination was primarily informed by the gender-additive model of gender differences in depressive symptoms during adolescence…

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

Gelis, François; Schenke, Björn

In this work, we review recent developments in the ab initio theoretical description of the initial state in heavy-ion collisions. We emphasize the importance of fluctuations, both for the phenomenological description of experimental data from the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC) and for the theoretical understanding of the nonequilibrium early-time dynamics and thermalization of the medium.

Rethinking High School Principal Compensation Practices: An Analysis of Salaries in South Carolina and Theoretical Models

ERIC Educational Resources Information Center

Newman, Tim A.

2012-01-01

This study described the current state of principal salaries in South Carolina and compared the salaries of similar size schools by specific report card performance and demographic variables. Based on the findings, theoretical models were proposed, and comparisons were made with current salary data. School boards, human resource personnel and…

Sound propagation from a simple source in a wind tunnel

NASA Technical Reports Server (NTRS)

Cole, J. E., III

1975-01-01

The nature of the acoustic field of a simple source in a wind tunnel under flow conditions was examined theoretically and experimentally. The motivation of the study was to establish aspects of the theoretical framework for interpreting acoustic data taken (in wind) tunnels using in wind microphones. Three distinct investigations were performed and are described in detail.

Theoretical calculation of pKa reveals an important role of Arg205 in the activity and stability of Streptomyces sp. N174 chitosanase.

PubMed

Fukamizo, T; Juffer, A H; Vogel, H J; Honda, Y; Tremblay, H; Boucher, I; Neugebauer, W A; Brzezinski, R

2000-08-18

Based on the crystal structure of chitosanase from Streptomyces sp. N174, we have calculated theoretical pK(a) values of the ionizable groups of this protein using a combination of the boundary element method and continuum electrostatics. The pK(a) value obtained for Arg(205), which is located in the catalytic cleft, was abnormally high (>20.0), indicating that the guanidyl group may interact strongly with nearby charges. Chitosanases possessing mutations in this position (R205A, R205H, and R205Y), produced by Streptomyces lividans expression system, were found to have less than 0.3% of the activity of the wild type enzyme and to possess thermal stabilities 4-5 kcal/mol lower than that of the wild type protein. In the crystal structure, the Arg(205) side chain is in close proximity to the Asp(145) side chain (theoretical pK(a), -1.6), which is in turn close to the Arg(190) side chain (theoretical pK(a), 17.7). These theoretical pK(a) values are abnormal, suggesting that both of these residues may participate in the Arg(205) interaction network. Activity and stability experiments using Asp(145)- and Arg(190)-mutated chitosanases (D145A and R190A) provide experimental data supporting the hypothesis derived from the theoretical pK(a) data and prompt the conclusion that Arg(205) forms a strong interaction network with Asp(145) and Arg(190) that stabilizes the catalytic cleft.

The theory-practice relationship: reflective skills and theoretical knowledge as key factors in bridging the gap between theory and practice in initial nursing education.

PubMed

Hatlevik, Ida Katrine Riksaasen

2012-04-01

This paper is a report of a correlational study of the relations of nursing students' acquired reflective skills, practical skills and theoretical knowledge on their perception of coherence between theory and practice. Reflection is considered a key factor in bridging the gap between theory and practice. However, it is not evident whether reflective skills are primarily generic in nature or whether they develop from a theoretical knowledge base or the acquisition of practical skills. This study is a secondary analysis of existing data. The data are part of a student survey that was conducted among third-year nursing students in Norway during the spring of 2007. A total of 446 nursing students participated in this study and the response rate was 71%. Structural equation modelling analyses were performed. The results indicate that students' perception of coherence between theory and practice during initial nursing education is directly influenced by reflective skills and theoretical knowledge. The results also reveal that reflective skills have mediating effects and that practical skills have a fully mediated and theoretical knowledge a partially mediated influence on students' perception of coherence. The findings imply that helping students perceive coherence between theory and practice in nursing education, developing students' reflective skills and strengthening the theoretical components of the initial nursing education programme might be beneficial. The results suggest that reflective thinking is not merely a generic skill but rather a skill that depends on the acquisition of relevant professional knowledge and experience. © 2011 Blackwell Publishing Ltd.

Theoretical and Empirical Comparison of Big Data Image Processing with Apache Hadoop and Sun Grid Engine.

PubMed

Bao, Shunxing; Weitendorf, Frederick D; Plassard, Andrew J; Huo, Yuankai; Gokhale, Aniruddha; Landman, Bennett A

2017-02-11

The field of big data is generally concerned with the scale of processing at which traditional computational paradigms break down. In medical imaging, traditional large scale processing uses a cluster computer that combines a group of workstation nodes into a functional unit that is controlled by a job scheduler. Typically, a shared-storage network file system (NFS) is used to host imaging data. However, data transfer from storage to processing nodes can saturate network bandwidth when data is frequently uploaded/retrieved from the NFS, e.g., "short" processing times and/or "large" datasets. Recently, an alternative approach using Hadoop and HBase was presented for medical imaging to enable co-location of data storage and computation while minimizing data transfer. The benefits of using such a framework must be formally evaluated against a traditional approach to characterize the point at which simply "large scale" processing transitions into "big data" and necessitates alternative computational frameworks. The proposed Hadoop system was implemented on a production lab-cluster alongside a standard Sun Grid Engine (SGE). Theoretical models for wall-clock time and resource time for both approaches are introduced and validated. To provide real example data, three T1 image archives were retrieved from a university secure, shared web database and used to empirically assess computational performance under three configurations of cluster hardware (using 72, 109, or 209 CPU cores) with differing job lengths. Empirical results match the theoretical models. Based on these data, a comparative analysis is presented for when the Hadoop framework will be relevant and non-relevant for medical imaging.

Theoretical and empirical comparison of big data image processing with Apache Hadoop and Sun Grid Engine

NASA Astrophysics Data System (ADS)

Bao, Shunxing; Weitendorf, Frederick D.; Plassard, Andrew J.; Huo, Yuankai; Gokhale, Aniruddha; Landman, Bennett A.

2017-03-01

The field of big data is generally concerned with the scale of processing at which traditional computational paradigms break down. In medical imaging, traditional large scale processing uses a cluster computer that combines a group of workstation nodes into a functional unit that is controlled by a job scheduler. Typically, a shared-storage network file system (NFS) is used to host imaging data. However, data transfer from storage to processing nodes can saturate network bandwidth when data is frequently uploaded/retrieved from the NFS, e.g., "short" processing times and/or "large" datasets. Recently, an alternative approach using Hadoop and HBase was presented for medical imaging to enable co-location of data storage and computation while minimizing data transfer. The benefits of using such a framework must be formally evaluated against a traditional approach to characterize the point at which simply "large scale" processing transitions into "big data" and necessitates alternative computational frameworks. The proposed Hadoop system was implemented on a production lab-cluster alongside a standard Sun Grid Engine (SGE). Theoretical models for wall-clock time and resource time for both approaches are introduced and validated. To provide real example data, three T1 image archives were retrieved from a university secure, shared web database and used to empirically assess computational performance under three configurations of cluster hardware (using 72, 109, or 209 CPU cores) with differing job lengths. Empirical results match the theoretical models. Based on these data, a comparative analysis is presented for when the Hadoop framework will be relevant and nonrelevant for medical imaging.

Open charm meson production at BNL RHIC within kt-factorization approach and revision of their semileptonic decays

NASA Astrophysics Data System (ADS)

Maciuła, Rafał; Szczurek, Antoni; Łuszczak, Marta

2015-09-01

We discuss inclusive production of open charm mesons in proton-proton scattering at the BNL RHIC. The calculation is performed in the framework of kt-factorization approach which effectively includes higher-order pQCD corrections. Different models of unintegrated gluon distributions (UGDF) from the literature are used. We focus on UGDF models favored by the LHC data and on a new up-to-date parametrizations based on the HERA collider deep-inelastic scattering high-precision data. Results of the kt-factorization approach are compared to next-to-leading order collinear predictions. The hadronization of heavy quarks is done by means of fragmentation function technique. The theoretical transverse momentum distributions of charmed mesons are compared with recent experimental data of the STAR collaboration at √{s }=200 and 500 GeV. Theoretical uncertainties related to the choice of renormalization and factorization scales as well as due to the quark mass are discussed. A very good description of the measured integrated cross sections and differential distributions is obtained for the Jung setB0 CCFM UGDF. Revised charm and bottom theoretical cross sections corresponding to those measured recently by the STAR and PHENIX collaborations for semileptonic decays of D and B mesons are presented. Significant improvement in theoretical description of the nonphotonic electrons measurements is clearly obtained with respect to the previous studies within the kt-factorization.

Monte Carlo event generators in atomic collisions: A new tool to tackle the few-body dynamics

NASA Astrophysics Data System (ADS)

Ciappina, M. F.; Kirchner, T.; Schulz, M.

2010-04-01

We present a set of routines to produce theoretical event files, for both single and double ionization of atoms by ion impact, based on a Monte Carlo event generator (MCEG) scheme. Such event files are the theoretical counterpart of the data obtained from a kinematically complete experiment; i.e. they contain the momentum components of all collision fragments for a large number of ionization events. Among the advantages of working with theoretical event files is the possibility to incorporate the conditions present in a real experiment, such as the uncertainties in the measured quantities. Additionally, by manipulating them it is possible to generate any type of cross sections, specially those that are usually too complicated to compute with conventional methods due to a lack of symmetry. Consequently, the numerical effort of such calculations is dramatically reduced. We show examples for both single and double ionization, with special emphasis on a new data analysis tool, called four-body Dalitz plots, developed very recently. Program summaryProgram title: MCEG Catalogue identifier: AEFV_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFV_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2695 No. of bytes in distributed program, including test data, etc.: 18 501 Distribution format: tar.gz Programming language: FORTRAN 77 with parallelization directives using scripting Computer: Single machines using Linux and Linux servers/clusters (with cores with any clock speed, cache memory and bits in a word) Operating system: Linux (any version and flavor) and FORTRAN 77 compilers Has the code been vectorised or parallelized?: Yes RAM: 64-128 kBytes (the codes are very cpu intensive) Classification: 2.6 Nature of problem: The code deals with single and double ionization of atoms by ion impact. Conventional theoretical approaches aim at a direct calculation of the corresponding cross sections. This has the important shortcoming that it is difficult to account for the experimental conditions when comparing results to measured data. In contrast, the present code generates theoretical event files of the same type as are obtained in a real experiment. From these event files any type of cross sections can be easily extracted. The theoretical schemes are based on distorted wave formalisms for both processes of interest. Solution method: The codes employ a Monte Carlo Event Generator based on theoretical formalisms to generate event files for both single and double ionization. One of the main advantages of having access to theoretical event files is the possibility of adding the conditions present in real experiments (parameter uncertainties, environmental conditions, etc.) and to incorporate additional physics in the resulting event files (e.g. elastic scattering or other interactions absent in the underlying calculations). Additional comments: The computational time can be dramatically reduced if a large number of processors is used. Since the codes has no communication between processes it is possible to achieve an efficiency of a 100% (this number certainly will be penalized by the queuing waiting time). Running time: Times vary according to the process, single or double ionization, to be simulated, the number of processors and the type of theoretical model. The typical running time is between several hours and up to a few weeks.

L X-ray fluorescence cross sections of some rare earth elements ( Z = 62, 64, 66, 68 and 70) at 17.8, 22.6 and 25.8 keV

NASA Astrophysics Data System (ADS)

Mandal, A. C.; Santra, S.; Mitra, D.; Sarkar, M.; Bhattacharya, D.

2005-06-01

L X-ray fluorescence cross sections of the elements with Z = 62, 64, 66, 68 and 70 have been measured at 17.8, 22.6 and 25.8 keV using an X-ray tube and secondary exciters of Mo, Ag and Sn. The measured cross sections have been compared with the theoretical predictions and with the data of others. Theoretical values calculated using photoionisation cross sections from Scofield [Lawrence Livermore Laboratory, UCRL-51326, 1973], fluorescence yields and Coster-Kronig transition probabilities from Puri et al. [X-ray Spectrom. 22 (1993) 358] and radiative widths from Campbell and Wang [At. Data Nucl. Data Tables 43 (1989) 281] show good agreement with our data. Except two sets of data on Lγ cross sections, all the data of other groups agree well with those of ours.

GEOS-2 refraction program summary document. [ionospheric and tropospheric propagation errors in satellite tracking instruments

NASA Technical Reports Server (NTRS)

Mallinckrodt, A. J.

1977-01-01

Data from an extensive array of collocated instrumentation at the Wallops Island test facility were intercompared in order to (1) determine the practical achievable accuracy limitations of various tropospheric and ionospheric correction techniques; (2) examine the theoretical bases and derivation of improved refraction correction techniques; and (3) estimate internal systematic and random error levels of the various tracking stations. The GEOS 2 satellite was used as the target vehicle. Data were obtained regarding the ionospheric and tropospheric propagation errors, the theoretical and data analysis of which was documented in some 30 separate reports over the last 6 years. An overview of project results is presented.

Quantum percolation in cuprate high-temperature superconductors

PubMed Central

Phillips, J. C.

2008-01-01

Although it is now generally acknowledged that electron–phonon interactions cause cuprate superconductivity with Tc values ≈100 K, the complexities of atomic arrangements in these marginally stable multilayer materials have frustrated both experimental analysis and theoretical modeling of the remarkably rich data obtained both by angle-resolved photoemission (ARPES) and high-resolution, large-area scanning tunneling microscopy (STM). Here, we analyze the theoretical background in terms of our original (1989) model of dopant-assisted quantum percolation (DAQP), as developed further in some two dozen articles, and apply these ideas to recent STM data. We conclude that despite all of the many difficulties, with improved data analysis it may yet be possible to identify quantum percolative paths. PMID:18626024

Information-theoretical noninvasive damage detection in bridge structures

NASA Astrophysics Data System (ADS)

Sudu Ambegedara, Amila; Sun, Jie; Janoyan, Kerop; Bollt, Erik

2016-11-01

Damage detection of mechanical structures such as bridges is an important research problem in civil engineering. Using spatially distributed sensor time series data collected from a recent experiment on a local bridge in Upper State New York, we study noninvasive damage detection using information-theoretical methods. Several findings are in order. First, the time series data, which represent accelerations measured at the sensors, more closely follow Laplace distribution than normal distribution, allowing us to develop parameter estimators for various information-theoretic measures such as entropy and mutual information. Second, as damage is introduced by the removal of bolts of the first diaphragm connection, the interaction between spatially nearby sensors as measured by mutual information becomes weaker, suggesting that the bridge is "loosened." Finally, using a proposed optimal mutual information interaction procedure to prune away indirect interactions, we found that the primary direction of interaction or influence aligns with the traffic direction on the bridge even after damaging the bridge.

A theoretical and experimental investigation of cylindrical electrostatic probes at arbitrary incidence in flowing plasma

NASA Technical Reports Server (NTRS)

Jenkins, R. V.; Jones, W. L., Jr.

1974-01-01

The theory for calculating the current collected by a negatively biased cylindrical electrostatic probe at an arbitrary angle of attack in a weakley ionized flowing plasma is presented. The theory was constructed by considering both random and directed motion simultaneous with dynamic coupling of the flow properties and of the electric field of the probe. This direct approach yielded a theory that is more general than static plasma theories modified to account for flow. Theoretical calculations are compared with experimental electrostatic probe data obtained in the free stream of an arc-heated hypersonic wind tunnel. The theoretical calculations are based on flow conditions and plasma electron densities measured by an independent microwave interferometer technique. In addition, the theory is compared with laboratory and satellite data previously published by other investigators. In each case the comparison gives good agreement.

Theoretical and experimental studies of electric field distribution in N-polar GaN/AlGaN/GaN heterostructures

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

Gladysiewicz, M., E-mail: marta.gladysiewicz@pwr.edu.pl; Janicki, L.; Kudrawiec, R.

2015-12-28

Electric field distribution in N-polar GaN(channel)/AlGaN/GaN(buffer) heterostructures was studied theoretically by solving Schrodinger and Poisson equations in a self-consistent manner for various boundary conditions and comparing results of these calculations with experimental data, i.e., measurements of electric field in GaN(channel) and AlGaN layers by electromodulation spectroscopy. A very good agreement between theoretical calculations and experimental data has been found for the Fermi-level located at ∼0.3 eV below the conduction band at N-polar GaN surface. With this surface boundary condition, the electric field distribution and two dimensional electron gas concentration are determined for GaN(channel)/AlGaN/GaN(buffer) heterostructures of various thicknesses of GaN(channel) and AlGaNmore » layers.« less

Recurrence plots of discrete-time Gaussian stochastic processes

NASA Astrophysics Data System (ADS)

Ramdani, Sofiane; Bouchara, Frédéric; Lagarde, Julien; Lesne, Annick

2016-09-01

We investigate the statistical properties of recurrence plots (RPs) of data generated by discrete-time stationary Gaussian random processes. We analytically derive the theoretical values of the probabilities of occurrence of recurrence points and consecutive recurrence points forming diagonals in the RP, with an embedding dimension equal to 1. These results allow us to obtain theoretical values of three measures: (i) the recurrence rate (REC) (ii) the percent determinism (DET) and (iii) RP-based estimation of the ε-entropy κ(ε) in the sense of correlation entropy. We apply these results to two Gaussian processes, namely first order autoregressive processes and fractional Gaussian noise. For these processes, we simulate a number of realizations and compare the RP-based estimations of the three selected measures to their theoretical values. These comparisons provide useful information on the quality of the estimations, such as the minimum required data length and threshold radius used to construct the RP.

Trans−cis Switching Mechanisms in Proline Analogues and Their Relevance for the Gating of the 5-HT3 Receptor

PubMed Central

2009-01-01

Trans−cis isomerization of a proline peptide bond is a potential mechanism to open the channel of the 5-HT3 receptor. Here, we have used the metadynamics method to theoretically explore such a mechanism. We have determined the free energy surfaces in aqueous solution of a series of dipeptides of proline analogues and evaluated the free energy difference between the cis and trans isomers. These theoretical results were then compared with data from mutagenesis experiments, in which the response of the 5-HT3 receptor was measured when the proline at the apex of the M2-M3 transmembrane domain loop was mutated. The strong correlation between the experimental and the theoretical data supports the existence of a trans−cis proline switch for opening the 5-HT3 receptor ion channel. PMID:19663504

Trans-cis switching mechanisms in proline analogues and their relevance for the gating of the 5-HT3 receptor.

PubMed

Melis, Claudio; Bussi, Giovanni; Lummis, Sarah C R; Molteni, Carla

2009-09-03

Trans-cis isomerization of a proline peptide bond is a potential mechanism to open the channel of the 5-HT(3) receptor. Here, we have used the metadynamics method to theoretically explore such a mechanism. We have determined the free energy surfaces in aqueous solution of a series of dipeptides of proline analogues and evaluated the free energy difference between the cis and trans isomers. These theoretical results were then compared with data from mutagenesis experiments, in which the response of the 5-HT(3) receptor was measured when the proline at the apex of the M2-M3 transmembrane domain loop was mutated. The strong correlation between the experimental and the theoretical data supports the existence of a trans-cis proline switch for opening the 5-HT(3) receptor ion channel.

Theoretical and Experimental K+ + Nucleus Total and Reaction Cross Sections from the KDP-RIA Model

NASA Astrophysics Data System (ADS)

Kerr, L. K.; Clark, B. C.; Hama, S.; Ray, L.; Hoffmann, G. W.

2000-02-01

The 5-dimensional spin-0 form of the Kemmer-Duffin-Petiau (KDP) equation is used to calculate scattering observables [elastic differential cross sections (dσ / dΩ), total cross sections (σ Tot ), and total reaction cross sections (σ Reac )] and to deduce σ Tot and σReac from transmission data for K+ + 6Li, 12C, 28Si and 40Ca at several momenta in the range 488 - 714 MeV / c. Realistic uncertainties are generated for the theoretical predictions. These errors, mainly due to uncertainties associated with the elementary K+ + nucleon amplitudes, are large, which may account for some of the disagreement between experimental and theoretical σTot and σReac. The results suggest that the K+ + nucleon amplitudes need to be much better determined before further improvement in the understanding of these data can occur.

Turbidity determination of the critical exponent eta in the liquid-liquid mixture methanol and cyclohexane.

PubMed

Lytle, Amy; Jacobs, D T

2004-03-22

The turbidity of the liquid-liquid mixture methanol-cyclohexane has been measured very near its critical point and used to test competing theoretical predictions and to determine the critical correlation-correction exponent eta. By measuring the ratio of the transmitted to incident light intensities over five decades in reduced temperature, we are able to determine that Ferrell's theoretical prediction for the turbidity explains the data with the correlation length amplitude xi0=0.330+/-0.003 nm and critical exponents eta=0.041+/-0.005 and nu=0.632+/-0.002. These values are consistent with the values measured before for xi0 in this system and with the exponents predicted by theory. The data allow five different theoretical expressions to be tested and to select two as being equivalent when very close to the critical point. (c) 2004 American Institute of Physics

High Versus Low Theoretical Fidelity Pedometer Intervention Using Social-Cognitive Theory on Steps and Self-Efficacy.

PubMed

Raedeke, Thomas D; Dlugonski, Deirdre

2017-12-01

This study was designed to compare a low versus high theoretical fidelity pedometer intervention applying social-cognitive theory on step counts and self-efficacy. Fifty-six public university employees participated in a 10-week randomized controlled trial with 2 conditions that varied in theoretical fidelity. Participants in the high theoretical fidelity condition wore a pedometer and participated in a weekly group walk followed by a meeting to discuss cognitive-behavioral strategies targeting self-efficacy. Participants in the low theoretical fidelity condition met for a group walk and also used a pedometer as a motivational tool and to monitor steps. Step counts were assessed throughout the 10-week intervention and after a no-treatment follow-up (20 weeks and 30 weeks). Self-efficacy was measured preintervention and postintervention. Participants in the high theoretical fidelity condition increased daily steps by 2,283 from preintervention to postintervention, whereas participants in the low fidelity condition demonstrated minimal change during the same time period (p = .002). Individuals attending at least 80% of the sessions in the high theoretical fidelity condition showed an increase of 3,217 daily steps (d = 1.03), whereas low attenders increased by 925 (d = 0.40). Attendance had minimal impact in the low theoretical fidelity condition. Follow-up data revealed that step counts were at least somewhat maintained. For self-efficacy, participants in the high, compared with those in the low, theoretical fidelity condition showed greater improvements. Findings highlight the importance of basing activity promotion efforts on theory. The high theoretical fidelity intervention that included cognitive-behavioral strategies targeting self-efficacy was more effective than the low theoretical fidelity intervention, especially for those with high attendance.

Thrust imbalance of solid rocket motor pairs on Space Shuttle flights

NASA Technical Reports Server (NTRS)

Foster, W. A., Jr.; Shu, P. H.; Sforzini, R. H.

1986-01-01

This analysis extends the investigation presented at the 17th Joint Propulsion Conference in 1981 to include fifteen sets of Space Shuttle flight data. The previous report dealt only with static test data and the first flight pair. The objective is to compare the authors' previous theoretical analysis of thrust imbalance with actual Space Shuttle performance. The theoretical prediction method, which involves a Monte Carlo technique, is reviewed briefly as are salient features of the flight instrumentation system and the statistical analysis. A scheme for smoothing flight data is discussed. The effects of changes in design parameters are discussed with special emphasis on the filament wound motor case being developed to replace the steel case. Good agreement between the predictions and the flight data is demonstrated.

A Haptic-Enhanced System for Molecular Sensing

NASA Astrophysics Data System (ADS)

Comai, Sara; Mazza, Davide

The science of haptics has received an enormous attention in the last decade. One of the major application trends of haptics technology is data visualization and training. In this paper, we present a haptically-enhanced system for manipulation and tactile exploration of molecules.The geometrical models of molecules is extracted either from theoretical or empirical data using file formats widely adopted in chemical and biological fields. The addition of information computed with computational chemistry tools, allows users to feel the interaction forces between an explored molecule and a charge associated to the haptic device, and to visualize a huge amount of numerical data in a more comprehensible way. The developed tool can be used either for teaching or research purposes due to its high reliance on both theoretical and experimental data.

Total cross section of furfural by electron impact: Experiment and theory.

PubMed

Traoré Dubuis, A; Verkhovtsev, A; Ellis-Gibbings, L; Krupa, K; Blanco, F; Jones, D B; Brunger, M J; García, G

2017-08-07

We present experimental total cross sections for electron scattering from furfural in the energy range from 10 to 1000 eV, as measured using a double electrostatic analyzer gas cell electron transmission experiment. These results are compared to theoretical data for furfural, as well as to experimental and theoretical values for the structurally similar molecules furan and tetrahydrofuran. The measured total cross section is in agreement with the theoretical results obtained by means of the independent-atom model with screening corrected additivity rule including interference method. In the region of higher electron energies, from 500 eV to 10 keV, the total electron scattering cross section is also estimated using a semi-empirical model based on the number of electrons and dipole polarizabilities of the molecular targets. Together with the recently measured differential and integral cross sections, and the furfural energy-loss spectra, the present total cross section data nearly complete the data set that is required for numerical simulation of low-energy electron processes in furfural, covering the range of projectile energies from a few electron volts up to 10 keV.

Total cross section of furfural by electron impact: Experiment and theory

NASA Astrophysics Data System (ADS)

Traoré Dubuis, A.; Verkhovtsev, A.; Ellis-Gibbings, L.; Krupa, K.; Blanco, F.; Jones, D. B.; Brunger, M. J.; García, G.

2017-08-01

We present experimental total cross sections for electron scattering from furfural in the energy range from 10 to 1000 eV, as measured using a double electrostatic analyzer gas cell electron transmission experiment. These results are compared to theoretical data for furfural, as well as to experimental and theoretical values for the structurally similar molecules furan and tetrahydrofuran. The measured total cross section is in agreement with the theoretical results obtained by means of the independent-atom model with screening corrected additivity rule including interference method. In the region of higher electron energies, from 500 eV to 10 keV, the total electron scattering cross section is also estimated using a semi-empirical model based on the number of electrons and dipole polarizabilities of the molecular targets. Together with the recently measured differential and integral cross sections, and the furfural energy-loss spectra, the present total cross section data nearly complete the data set that is required for numerical simulation of low-energy electron processes in furfural, covering the range of projectile energies from a few electron volts up to 10 keV.

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

NASA Astrophysics Data System (ADS)

Darmon, David

2018-03-01

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

Structural relaxation in supercooled orthoterphenyl.

PubMed

Chong, S-H; Sciortino, F

2004-05-01

We report molecular-dynamics simulation results performed for a model of molecular liquid orthoterphenyl in supercooled states, which we then compare with both experimental data and mode-coupling-theory (MCT) predictions, aiming at a better understanding of structural relaxation in orthoterphenyl. We pay special attention to the wave number dependence of the collective dynamics. It is shown that the simulation results for the model share many features with experimental data for real system, and that MCT captures the simulation results at the semiquantitative level except for intermediate wave numbers connected to the overall size of the molecule. Theoretical results at the intermediate wave number region are found to be improved by taking into account the spatial correlation of the molecule's geometrical center. This supports the idea that unusual dynamical properties at the intermediate wave numbers, reported previously in simulation studies for the model and discernible in coherent neutron-scattering experimental data, are basically due to the coupling of the rotational motion to the geometrical-center dynamics. However, there still remain qualitative as well as quantitative discrepancies between theoretical prediction and corresponding simulation results at the intermediate wave numbers, which call for further theoretical investigation.

Crystal study and econometric model

NASA Technical Reports Server (NTRS)

1975-01-01

An econometric model was developed that can be used to predict demand and supply figures for crystals over a time horizon roughly concurrent with that of NASA's Space Shuttle Program - that is, 1975 through 1990. The model includes an equation to predict the impact on investment in the crystal-growing industry. Actually, two models are presented. The first is a theoretical model which follows rather strictly the standard theoretical economic concepts involved in supply and demand analysis, and a modified version of the model was developed which, though not quite as theoretically sound, was testable utilizing existing data sources.

Theoretical and experimental vibrational spectroscopy study on rotational isomer of 4-phenylbutylamine

NASA Astrophysics Data System (ADS)

Ünal, A.; Okur, M.

2017-02-01

The possible four stable rotational isomers of 4-phenylbutylamine (4PBA) molecule were experimentally and theoretically studied by vibrational spectroscopy. The FT-IR (4000-400 cm-1) and Raman (3700-60 cm-1) spectra of 4PBA were recorded at room temperature in liquid phase. The complete vibrational wavenumbers and corresponding vibrational assignments of 4PBA molecule were discussed assisted with B3LYP/6-311++G(d,p) level of theory along with scaled quantum mechanics force field (SQM-FF) method. Results from experimental and theoretical data the most stable form of 4PBA molecule was obtained.

Les Houches 2017: Physics at TeV Colliders Standard Model Working Group Report

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

Andersen, J.R.; et al.

This Report summarizes the proceedings of the 2017 Les Houches workshop on Physics at TeV Colliders. Session 1 dealt with (I) new developments relevant for high precision Standard Model calculations, (II) theoretical uncertainties and dataset dependence of parton distribution functions, (III) new developments in jet substructure techniques, (IV) issues in the theoretical description of the production of Standard Model Higgs bosons and how to relate experimental measurements, (V) phenomenological studies essential for comparing LHC data from Run II with theoretical predictions and projections for future measurements, and (VI) new developments in Monte Carlo event generators.

When VSEPR Fails: Experimental and Theoretical Investigations of the Behavior of Alkaline-Earth-Metal Acetylides

PubMed Central

Guino-o, Marites A.; Alexander, Jacob S.; McKee, Michael L.; Hope, Håkon; Englich, Ulrich B.

2014-01-01

The synthesis, structural, and spectral characterization as well as a theoretical study of a family of alkaline-earth-metal acetylides provides insights into synthetic access and the structural and bonding characteristics of this group of highly reactive compounds. Based on our earlier communication that reported unusual geometry for a family of triphenylsilyl-substituted alkaline-earth-metal acetylides, we herein present our studies on an expanded family of target derivatives, providing experimental and theoretical data to offer new insights into the intensively debated theme of structural chemistry in heavy alkaline-earth-metal chemistry. PMID:19844925

Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies

PubMed Central

Valente, Marco A. G.; Teixeira, Deiver A.; Azevedo, David L.; Feliciano, Gustavo T.; Benedetti, Assis V.; Fugivara, Cecílio S.

2017-01-01

The interaction of volatile corrosion inhibitors (VCI), caprylate salt derivatives from amines, with zinc metallic surfaces is assessed by density functional theory (DFT) computer simulations, electrochemical impedance (EIS) measurements and humid chamber tests. The results obtained by the different methods were compared, and linear correlations were obtained between theoretical and experimental data. The correlations between experimental and theoretical results showed that the molecular size is the determining factor in the inhibition efficiency. The models used and experimental results indicated that dicyclohexylamine caprylate is the most efficient inhibitor. PMID:28620602

A quantitative dynamic systems model of health-related quality of life among older adults

PubMed Central

Roppolo, Mattia; Kunnen, E Saskia; van Geert, Paul L; Mulasso, Anna; Rabaglietti, Emanuela

2015-01-01

Health-related quality of life (HRQOL) is a person-centered concept. The analysis of HRQOL is highly relevant in the aged population, which is generally suffering from health decline. Starting from a conceptual dynamic systems model that describes the development of HRQOL in individuals over time, this study aims to develop and test a quantitative dynamic systems model, in order to reveal the possible dynamic trends of HRQOL among older adults. The model is tested in different ways: first, with a calibration procedure to test whether the model produces theoretically plausible results, and second, with a preliminary validation procedure using empirical data of 194 older adults. This first validation tested the prediction that given a particular starting point (first empirical data point), the model will generate dynamic trajectories that lead to the observed endpoint (second empirical data point). The analyses reveal that the quantitative model produces theoretically plausible trajectories, thus providing support for the calibration procedure. Furthermore, the analyses of validation show a good fit between empirical and simulated data. In fact, no differences were found in the comparison between empirical and simulated final data for the same subgroup of participants, whereas the comparison between different subgroups of people resulted in significant differences. These data provide an initial basis of evidence for the dynamic nature of HRQOL during the aging process. Therefore, these data may give new theoretical and applied insights into the study of HRQOL and its development with time in the aging population. PMID:26604722

Guide to remote-sensor data systems

NASA Technical Reports Server (NTRS)

Dewitt, R. R.; Ellison, J. L.

1980-01-01

Remote sensing data-handbook presents theoretical and practical information on spaceborne sensors and associated systems for Earth-resources applications. Handbook provides discussion on historical information, principles of operations, factors affecting performances, nature of data output, and system required to process data and trends in research and development.

The minimal cost of life in space.

PubMed

Drysdale, A E; Rutkze, C J; Albright, L D; LaDue, R L

2004-01-01

The cost of keeping people alive in space is assessed from a theoretical viewpoint and using two actual designs for plant growth systems. While life support is theoretically not very demanding, our ability to implement life support is well below theoretical limits. A theoretical limit has been calculated from requirements and the state of the art for plant growth has been calculated using data from the BIO-Plex PDR and from the Cornell CEA prototype system. The very low efficiency of our current approaches results in a high mission impact, though we can still see how to get a significant reduction in cost of food when compared to supplying it from Earth. Seeing the distribution of costs should allow us to improve our current designs. c2004 COSPAR. Published by Elsevier Ltd. All rights reserved.

The minimal cost of life in space

NASA Technical Reports Server (NTRS)

Drysdale, A. E.; Rutkze, C. J.; Albright, L. D.; LaDue, R. L.

2004-01-01

The cost of keeping people alive in space is assessed from a theoretical viewpoint and using two actual designs for plant growth systems. While life support is theoretically not very demanding, our ability to implement life support is well below theoretical limits. A theoretical limit has been calculated from requirements and the state of the art for plant growth has been calculated using data from the BIO-Plex PDR and from the Cornell CEA prototype system. The very low efficiency of our current approaches results in a high mission impact, though we can still see how to get a significant reduction in cost of food when compared to supplying it from Earth. Seeing the distribution of costs should allow us to improve our current designs. c2004 COSPAR. Published by Elsevier Ltd. All rights reserved.

Crystal structure and theoretical calculations of Julocrotine, a natural product with antileishmanial activity

NASA Astrophysics Data System (ADS)

Moreira, Rafael Y. O.; Brasil, Davi S. B.; Alves, Cláudio N.; Guilhon, Giselle M. S. P.; Santos, Lourivaldo S.; Arruda, Mara S. P.; Müller, Adolfo H.; Barbosa, Patrícia S.; Abreu, Alcicley S.; Silva, Edilene O.; Rumjanek, Victor M.; Souza, Jaime, Jr.; da Silva, Albérico B. F.; Santos, Regina H. De A.

Julocrotine, N-(2,6-dioxo-1-phenethyl-piperidin-3-yl)-2-methyl-butyramide, is a potent antiproliferative agent against the promastigote and amastigote forms of Leishmania amazonensis (L.). In this work, the crystal structure of Julocrotine was solved by X-ray diffraction, and its geometrical parameters were compared with theoretical calculations at the B3LYP and HF level of theory. IR and NMR spectra also have been obtained and compared with theoretical calculations. IR absorptions calculated with the B3LYP level of theory employed together with the 6-311G+(d,p) basis set, are close to those observed experimentally. Theoretical NMR calculations show little deviation from experimental results. The results show that the theory is in accordance with the experimental data.0

Ab initio study of the alkali and alkaline-earth monohydroxides

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.; Langhoff, S. R.; Partridge, H.

1986-01-01

A systematic study of the structures and dissociation energies of all the alkali and alkaline-earth monohydroxides is conducted. A theoretical model for determining accurate dissociation energies of ionic molecules is discussed. The obtained theoretical structures and dissociation energies of the alkali and alkaline-earth monohydroxides, respectively, are compared with experimental data. It is found that the theoretical studies of the bending potentials of BeOH, MgOH, and CaOH reveal the different admixture of covalent character in these systems. The BeOH molecule with the largest degree of covalent character is found to be bent (theta equals 147 deg). The MgOH is also linear. The theoretical dissociation energies for the alkali and akaline-earth hydroxides are thought to be accurate to 0.1 eV.

Theoretical microwave spectral constants for C2N, C2N/+/, and C3H

NASA Technical Reports Server (NTRS)

Green, S.

1980-01-01

Theoretical microwave spectral constants have been computed for C2N, C3H, and C2N(+). For C2N these are compared with values obtained from optical data. Calculated hyperfine constants are also presented for HNC, DNC, and HCNH(+). The possibility of observing these species in dense interstellar clouds is discussed.

Covert Half Duplex Data Link Using Radar-Embedded Communications With Various Modulation Schemes

DTIC Science & Technology

2017-12-01

27 Figure 4.1 Comparison of Theoretical, Radar-Pulse-Only Matched Filter , and the Radar...CommunicationsMatched Filtered PD Curves versus SNR for RCR = 0 dB. . . . . . . . . . . . . . . . . . . . . . . . . . . 30 Figure 4.2 Comparison of Theoretical, Radar...Pulse-Only Matched Filter , and the Radar-CommunicationsMatched Filtered PD Curves versus SNR for RCR = [3, 6, 10] dB

Syntactic levels, lexicalism, and ellipsis: The jury is still out.

PubMed

Hartsuiker, Robert J; Bernolet, Sarah

2017-01-01

Structural priming data are sometimes compatible with several theoretical views, as shown here for three key theoretical claims. One reason is that prime sentences affect multiple representational levels driving syntactic choice. Additionally, priming is affected by further cognitive functions (e.g., memory). We therefore see priming as a useful tool for the investigation of linguistic representation but not the only tool.

Adult Literacy in the United States: A Compendium of Qualitative Data and Interpretive Comments. Research to Practice.

ERIC Educational Resources Information Center

Armstrong, William B.; Sticht, Thomas G.

Human cognitive system and information processing theories were used as the theoretical base that frames an interpretation of adult literacy research from World War I (WWI) through 1993. These theoretical perspectives are as follows: (1) literacy learning is grounded in a distinct developmental sequence; and (2) literacy learning is dependent on…

Investigation of Relationship between Theoretical Practice Course Success and Attendance

ERIC Educational Resources Information Center

Dalkiran, Oguzhan

2018-01-01

The aim of the study is to determine the relationship between the attendance of theoretical and applied field courses and the success status of the students attending Sports Science Faculty. The data of the study consisted of 68 female and 88 male students in the Faculty of Sports Sciences; two lectures and two practicals, and 624 grade points and…

Flow through a very porous obstacle in a shallow channel.

PubMed

Creed, M J; Draper, S; Nishino, T; Borthwick, A G L

2017-04-01

A theoretical model, informed by numerical simulations based on the shallow water equations, is developed to predict the flow passing through and around a uniform porous obstacle in a shallow channel, where background friction is important. This problem is relevant to a number of practical situations, including flow through aquatic vegetation, the performance of arrays of turbines in tidal channels and hydrodynamic forces on offshore structures. To demonstrate this relevance, the theoretical model is used to (i) reinterpret core flow velocities in existing laboratory-based data for an array of emergent cylinders in shallow water emulating aquatic vegetation and (ii) reassess the optimum arrangement of tidal turbines to generate power in a tidal channel. Comparison with laboratory-based data indicates a maximum obstacle resistance (or minimum porosity) for which the present theoretical model is valid. When the obstacle resistance is above this threshold the shallow water equations do not provide an adequate representation of the flow, and the theoretical model over-predicts the core flow passing through the obstacle. The second application of the model confirms that natural bed resistance increases the power extraction potential for a partial tidal fence in a shallow channel and alters the optimum arrangement of turbines within the fence.

Theoretical kinetics study of the F((2)P) + NH3 hydrogen abstraction reaction.

PubMed

Espinosa-Garcia, J; Fernandez-Ramos, A; Suleimanov, Y V; Corchado, J C

2014-01-23

The hydrogen abstraction reaction of fluorine with ammonia represents a true chemical challenge because it is very fast, is followed by secondary abstraction reactions, which are also extremely fast, and presents an experimental/theoretical controversy about rate coefficients. Using a previously developed full-dimensional analytical potential energy surface, we found that the F + NH3 → HF + NH2 system is a barrierless reaction with intermediate complexes in the entry and exit channels. In order to understand the reactivity of the title reaction, thermal rate coefficidents were calculated using two approaches: ring polymer molecular dynamics and quasi-classical trajectory calculations, and these were compared with available experimental data for the common temperature range 276-327 K. The theoretical results obtained show behavior practically independent of temperature, reproducing Walther-Wagner's experiment, but in contrast with Persky's more recent experiment. However, quantitatively, our results are 1 order of magnitude larger than those of Walther-Wagner and reasonably agree with the Persky at the lowest temperature, questioning so Walther-Wagner's older data. At present, the reason for this discrepancy is not clear, although we point out some possible reasons in the light of current theoretical calculations.

Hybrid rocket engine, theoretical model and experiment

NASA Astrophysics Data System (ADS)

Chelaru, Teodor-Viorel; Mingireanu, Florin

2011-06-01

The purpose of this paper is to build a theoretical model for the hybrid rocket engine/motor and to validate it using experimental results. The work approaches the main problems of the hybrid motor: the scalability, the stability/controllability of the operating parameters and the increasing of the solid fuel regression rate. At first, we focus on theoretical models for hybrid rocket motor and compare the results with already available experimental data from various research groups. A primary computation model is presented together with results from a numerical algorithm based on a computational model. We present theoretical predictions for several commercial hybrid rocket motors, having different scales and compare them with experimental measurements of those hybrid rocket motors. Next the paper focuses on tribrid rocket motor concept, which by supplementary liquid fuel injection can improve the thrust controllability. A complementary computation model is also presented to estimate regression rate increase of solid fuel doped with oxidizer. Finally, the stability of the hybrid rocket motor is investigated using Liapunov theory. Stability coefficients obtained are dependent on burning parameters while the stability and command matrixes are identified. The paper presents thoroughly the input data of the model, which ensures the reproducibility of the numerical results by independent researchers.

Dissipative universe-inflation with soft singularity

NASA Astrophysics Data System (ADS)

Brevik, Iver; Timoshkin, Alexander V.

We investigate the early-time accelerated universe after the Big Bang. We pay attention to the dissipative properties of the inflationary universe in the presence of a soft type singularity, making use of the parameters of the generalized equation of state of the fluid. Flat Friedmann-Robertson-Walker metric is being used. We consider cosmological models leading to the so-called type IV singular inflation. Our obtained theoretical results are compared with observational data from the Planck satellite. The theoretical predictions for the spectral index turn out to be in agreement with the data, while for the scalar-to-tensor ratio, there are minor deviations.

Development of Nomarski microscopy for quantitative determination of surface topography

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

Hartman, J. S.; Gordon, R. L.; Lessor, D. L.

1979-01-01

The use of Nomarski differential interference contrast (DIC) microscopy has been extended to provide nondestructive, quantitative analysis of a sample's surface topography. Theoretical modeling has determined the dependence of the image intensity on the microscope's optical components, the sample's optical properties, and the sample's surface orientation relative to the microscope. Results include expressions to allow the inversion of image intensity data to determine sample surface slopes. A commercial Nomarski system has been modified and characterized to allow the evaluation of the optical model. Data have been recorded with smooth, planar samples that verify the theoretical predictions.

Study of ^{14}C Cluster Decay Half-Lives of Heavy Deformed Nuclei

NASA Astrophysics Data System (ADS)

Shamami, S. Rahimi; Pahlavani, M. R.

2018-01-01

A theoretical model based on deformed Woods-Saxon, Coulomb and centrifugal terms are constructed to evaluate the half-lives for the cluster radioactivity of various super heavy nuclei. Deformation have been applied on all parts of their potential containing nuclear barrier for cluster decay. Also, both parent and daughter nuclei are considered to be deformed. The calculated results of ^{14}C cluster radioactivity half-lives are compared with available experimental data. A satisfactory agreement between theoretical and measured data is achieved. Also, obtained half-lives for each decay family is agreed with Geiger-Nuttall law.

On the design of a hierarchical SS7 network: A graph theoretical approach

NASA Astrophysics Data System (ADS)

Krauss, Lutz; Rufa, Gerhard

1994-04-01

This contribution is concerned with the design of Signaling System No. 7 networks based on graph theoretical methods. A hierarchical network topology is derived by combining the advantage of the hierarchical network structure with the realization of node disjoint routes between nodes of the network. By using specific features of this topology, we develop an algorithm to construct circle-free routing data and to assure bidirectionality also in case of failure situations. The methods described are based on the requirements that the network topology, as well as the routing data, may be easily changed.

Online Bagging and Boosting

NASA Technical Reports Server (NTRS)

Oza, Nikunji C.

2005-01-01

Bagging and boosting are two of the most well-known ensemble learning methods due to their theoretical performance guarantees and strong experimental results. However, these algorithms have been used mainly in batch mode, i.e., they require the entire training set to be available at once and, in some cases, require random access to the data. In this paper, we present online versions of bagging and boosting that require only one pass through the training data. We build on previously presented work by presenting some theoretical results. We also compare the online and batch algorithms experimentally in terms of accuracy and running time.

Photoeffect cross sections of some rare-earth elements at 145.4 keV

NASA Astrophysics Data System (ADS)

Umesh, T. K.; Ranganathaiah, C.; Sanjeevaiah, B.

1985-08-01

Total attenuation cross sections in the elements La, Ce, Pr, Nd, Sm, Gd, Dy, Ho, and Er were derived from the measured total cross sections of their simple oxide compounds, by employing the mixture rule at 145.4-keV photon energy. The compound cross sections have been measured by performing transmission experiments in a good geometry setup. From the derived total cross sections of elements, photoeffect cross sections have been obtained by subtracting the theoretical scattering cross sections. A good agreement is observed between the present data of photoeffect cross sections and Scofield's theoretical data.

Co-production of Health enabled by next generation personal health systems.

PubMed

Boye, Niels

2012-01-01

This paper describes the theoretical principles for the establishment of a parallel and complementary modality of healthcare delivery - named Coproduction of Health (CpH). This service-model activates digital data, information, and knowledge about health, healthy choices, and the individuals' health-state and computes through personalized models context-aware communication and advice. "Lightweight technologies" (smartphones, tablets, application stores) would serve as the technology close to the end-users (citizens, patients, clients, customers), connecting them with "big data" in conventionally and non-conventionally organized data repositories. The CpH modality aims at providing synergies between professional healthcare, selfcare, informal care and provides data-fusion from several sources such as health characteristics of consumer goods, from sensors, actuators, and health related data-repositories, and turns this into "health added value" for the individual. A theoretical business model respecting healthcare values, ethics, and legal foundation is also sketched out.

An X-Ray Analysis Database of Photoionization Cross Sections Including Variable Ionization

NASA Technical Reports Server (NTRS)

Wang, Ping; Cohen, David H.; MacFarlane, Joseph J.; Cassinelli, Joseph P.

1997-01-01

Results of research efforts in the following areas are discussed: review of the major theoretical and experimental data of subshell photoionization cross sections and ionization edges of atomic ions to assess the accuracy of the data, and to compile the most reliable of these data in our own database; detailed atomic physics calculations to complement the database for all ions of 17 cosmically abundant elements; reconciling the data from various sources and our own calculations; and fitting cross sections with functional approximations and incorporating these functions into a compact computer code.Also, efforts included adapting an ionization equilibrium code, tabulating results, and incorporating them into the overall program and testing the code (both ionization equilibrium and opacity codes) with existing observational data. The background and scientific applications of this work are discussed. Atomic physics cross section models and calculations are described. Calculation results are compared with available experimental data and other theoretical data. The functional approximations used for fitting cross sections are outlined and applications of the database are discussed.

Measurement of L subshell photoionisation cross sections of Th and U at 22.6, 25.8, 29.2 and 32.9 kev

NASA Astrophysics Data System (ADS)

Santra, S.; Mitra, D.; Sarkar, M.; Bhattacharya, D.

2007-10-01

Bremsstrahlung from an X-ray tube was used to excite secondary targets of Ag, Sn, I and Ba to get nearly monochromatic excitation energies of 22.6, 25.8, 29.2 and 32.9 keV, respectively. Th and U were used as targets. The L X-ray fluorescence cross sections of different lines from the targets have been measured. Of the several methods to obtain L subshell photoionisation cross sections from these fluorescence data, the merits and demerits of four common methods have been explained and the method with least uncertainty was suggested as the best one for such analysis. Following this method, with intensities of the resolved Lγ lines, three L subshell photoionisation cross sections have been obtained using six different sets of atomic parameters. The variation of these cross sections with different atomic parameters has been discussed. For σ1, all the derived values are within 30% of one other while for σ2 and σ3, they are within 12%. Measured cross sections have been compared with the data of others and with the theoretical values of Scofield. Finally, the intensity ratios of different L lines have also been compared with available data and the theoretical values. Within experimental errors, our data are in good agreement with the data of others and with the theoretical predictions.

Data characterizing tensile behavior of cenosphere/HDPE syntactic foam.

PubMed

Kumar, B R Bharath; Doddamani, Mrityunjay; Zeltmann, Steven E; Gupta, Nikhil; Ramakrishna, Seeram

2016-03-01

The data set presented is related to the tensile behavior of cenosphere reinforced high density polyethylene syntactic foam composites "Processing of cenosphere/HDPE syntactic foams using an industrial scale polymer injection molding machine" (Bharath et al., 2016) [1]. The focus of the work is on determining the feasibility of using an industrial scale polymer injection molding (PIM) machine for fabricating syntactic foams. The fabricated syntactic foams are investigated for microstructure and tensile properties. The data presented in this article is related to optimization of the PIM process for syntactic foam manufacture, equations and procedures to develop theoretical estimates for properties of cenospheres, and microstructure of syntactic foams before and after failure. Included dataset contains values obtained from the theoretical model.

Data characterizing tensile behavior of cenosphere/HDPE syntactic foam

PubMed Central

Kumar, B.R. Bharath; Doddamani, Mrityunjay; Zeltmann, Steven E.; Gupta, Nikhil; Ramakrishna, Seeram

2016-01-01

The data set presented is related to the tensile behavior of cenosphere reinforced high density polyethylene syntactic foam composites “Processing of cenosphere/HDPE syntactic foams using an industrial scale polymer injection molding machine” (Bharath et al., 2016) [1]. The focus of the work is on determining the feasibility of using an industrial scale polymer injection molding (PIM) machine for fabricating syntactic foams. The fabricated syntactic foams are investigated for microstructure and tensile properties. The data presented in this article is related to optimization of the PIM process for syntactic foam manufacture, equations and procedures to develop theoretical estimates for properties of cenospheres, and microstructure of syntactic foams before and after failure. Included dataset contains values obtained from the theoretical model. PMID:26937472

Entropy and Certainty in Lossless Data Compression

ERIC Educational Resources Information Center

Jacobs, James Jay

2009-01-01

Data compression is the art of using encoding techniques to represent data symbols using less storage space compared to the original data representation. The encoding process builds a relationship between the entropy of the data and the certainty of the system. The theoretical limits of this relationship are defined by the theory of entropy in…

Accessing technical data bases using STDS: A collection of scenarios

NASA Technical Reports Server (NTRS)

Hardgrave, W. T.

1975-01-01

A line by line description is given of sessions using the set-theoretic data system (STDS) to interact with technical data bases. The data bases contain data from actual applications at NASA Langley Research Center. The report is meant to be a tutorial document that accompanies set processing in a network environment.

Peace Data Standard: A Practical and Theoretical Framework for Using Technology to Examine Intergroup Interactions

PubMed Central

Guadagno, Rosanna E.; Nelson, Mark; Lock Lee, Laurence

2018-01-01

The current paper presents a theoretical framework for standardizing Peace Data as a means of understanding the conditions under which people’s technology use results in positive engagement and peace. Thus, the main point of our paper is that Big Data can be conceptualized in terms of its value to peace. We define peace as a set of positive, prosocial behaviors that maximize mutually beneficial positive outcomes resulting from interactions with others. To accomplish this goal, we present hypothetical and real-world, data driven examples that illustrate our thinking in this domain and present guidelines for how to identify, collect, utilize, and evaluate Peace Data generated during mediated interactions and further suggest that Peace Data has four primary components: group identity information, behavior data, longitudinal data, and metadata. This paper concludes with a call for participation in a Peace Data association and suggested for guidelines for how scholars and practitioners can identify Peace Data in their own domains. Ethical considerations and suggestions for future research are also discussed. PMID:29892239

Density functional theory and phytochemical study of Pistagremic acid

NASA Astrophysics Data System (ADS)

Ullah, Habib; Rauf, Abdur; Ullah, Zakir; Fazl-i-Sattar; Anwar, Muhammad; Shah, Anwar-ul-Haq Ali; Uddin, Ghias; Ayub, Khurshid

2014-01-01

We report here for the first time a comparative theoretical and experimental study of Pistagremic acid (P.A). We have developed a theoretical model for obtaining the electronic and spectroscopic properties of P.A. The simulated data showed nice correlation with the experimental data. The geometric and electronic properties were simulated at B3LYP/6-31 G (d, p) level of density functional theory (DFT). The optimized geometric parameters of P.A were found consistent with those from X-ray crystal structure. Differences of about 0.01 and 0.15 Å in bond length and 0.19-1.30° degree in the angles, respectively; were observed between the experimental and theoretical data. The theoretical vibrational bands of P.A were found to correlate with the experimental IR spectrum after a common scaling factor of 0.963. The experimental and predicted UV-Vis spectra (at B3LYP/6-31+G (d, p)) have 36 nm differences. This difference from experimental results is because of the condensed phase nature of P.A. Electronic properties such as Ionization Potential (I.P), Electron Affinities (E.A), co-efficient of highest occupied molecular orbital (HOMO), co-efficient of lowest unoccupied molecular orbital (LUMO) of P.A were estimated for the first time however, no correlation can be made with experiment. Inter-molecular interaction and its effect on vibrational (IR), electronic and geometric parameters were simulated by using Formic acid as model for hydrogen bonding in P.A.

Using experimental studies and theoretical calculations to analyze the molecular mechanism of coumarin, p-hydroxybenzoic acid, and cinnamic acid

NASA Astrophysics Data System (ADS)

Hsieh, Tiane-Jye; Su, Chia-Ching; Chen, Chung-Yi; Liou, Chyong-Huey; Lu, Li-Hwa

2005-05-01

Three natural products, Coumarin ( 1), p-hydroxybenzoic acid ( 2), trans-cinnamic acid ( 3) were isolated from the natural plant of indigenous cinnamon and the structures including relative stereochemistry were elucidated on the basis of spectroscopic data and theoretical calculations. Their sterochemical structures were determined by NMR spectroscopy, mass spectroscopy, and X-ray crystallography. The p-hydroxybenzoic acid complex with water is reported to show the existence of two hydrogen bonds. The two hydrogen bonds are formed in the water molecule of two hydrogen-accepting oxygen of carbonyl group of the p-hydroxybenzoic acid. The intermolecular interaction two hydrogen bond of the model system of the water- p-hydroxybenzoic acid was investigated. An experimental study and a theoretical analysis using the B3LYP/6-31G* method in the GAUSSIAN-03 package program were conducted on the three natural products. The theoretical results are supplemented by experimental data. Optimal geometric structures of three compounds were also determined. The calculated molecular mechanics compared quite well with those obtained from the experimental data. The ionization potentials, highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy, energy gaps, heat of formation, atomization energies, and vibration frequencies of the compounds were also calculated. The results of the calculations show that three natural products are stable molecules with high reactive and various other physical properties. The study also provided an explicit understanding of the sterochemical structure and thermodynamic properties of the three natural products.

A synthesis, X-ray crystallographic and vibrational studies of guanidinium o-nitrobenzoate hydrate. New NLO crystal in guanidinium nitrobenzoate family

NASA Astrophysics Data System (ADS)

Drozd, Marek; Daszkiewicz, Marek

2018-06-01

According to literature data the two crystals are known: guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate. Both compounds belong to noncetrosymmetric crystallographic systems are consider as second order generators in nonlinear optic (NLO). For each of these crystals the detailed crystallographic, theoretical calculations and vibrational studies were performed. It is interesting that nitrobenzoic acid create tree variety of compounds ((2) ortho-, (3) meta- and (4) para-) what any data for third member of guanidinium nitrobenzoate crystal were not known. The guanidinium o-nitrobenzoate hydrate crystal was synthesized first time. The performed X-ray crystallographic study shown that crystal belongs to space group without macroscopic symmetry center. Additionally, the vibrational spectra (intensities, frequencies and PED analysis) of investigated compound are presented. These results are compared with theoretical calculations for equilibrium geometry and vibrational properties. Furthermore, the results of the theoretical approach include HOMO and LUMO energies and first order hyperpolarizability were obtained, also. On the basis of these data the crystal was classified as second order generator. All obtained results are compared with previous literature data of guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate compounds. Surprisingly, each of examined crystal belongs to different crystallographic system and shows different vibrational properties.

The Alkaline Hydrolysis of Sulfonate Esters: Challenges in Interpreting Experimental and Theoretical Data

PubMed Central

2013-01-01

Sulfonate ester hydrolysis has been the subject of recent debate, with experimental evidence interpreted in terms of both stepwise and concerted mechanisms. In particular, a recent study of the alkaline hydrolysis of a series of benzene arylsulfonates (Babtie et al., Org. Biomol. Chem.10, 2012, 8095) presented a nonlinear Brønsted plot, which was explained in terms of a change from a stepwise mechanism involving a pentavalent intermediate for poorer leaving groups to a fully concerted mechanism for good leaving groups and supported by a theoretical study. In the present work, we have performed a detailed computational study of the hydrolysis of these compounds and find no computational evidence for a thermodynamically stable intermediate for any of these compounds. Additionally, we have extended the experimental data to include pyridine-3-yl benzene sulfonate and its N-oxide and N-methylpyridinium derivatives. Inclusion of these compounds converts the Brønsted plot to a moderately scattered but linear correlation and gives a very good Hammett correlation. These data suggest a concerted pathway for this reaction that proceeds via an early transition state with little bond cleavage to the leaving group, highlighting the care that needs to be taken with the interpretation of experimental and especially theoretical data. PMID:24279349

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

Yuan, Chris, E-mail: cyuan@uwm.edu; Wang, Endong; Zhai, Qiang

Temporal homogeneity of inventory data is one of the major problems in life cycle assessment (LCA). Addressing temporal homogeneity of life cycle inventory data is important in reducing the uncertainties and improving the reliability of LCA results. This paper attempts to present a critical review and discussion on the fundamental issues of temporal homogeneity in conventional LCA and propose a theoretical framework for temporal discounting in LCA. Theoretical perspectives for temporal discounting in life cycle inventory analysis are discussed first based on the key elements of a scientific mechanism for temporal discounting. Then generic procedures for performing temporal discounting inmore » LCA is derived and proposed based on the nature of the LCA method and the identified key elements of a scientific temporal discounting method. A five-step framework is proposed and reported in details based on the technical methods and procedures needed to perform a temporal discounting in life cycle inventory analysis. Challenges and possible solutions are also identified and discussed for the technical procedure and scientific accomplishment of each step within the framework. - Highlights: • A critical review for temporal homogeneity problem of life cycle inventory data • A theoretical framework for performing temporal discounting on inventory data • Methods provided to accomplish each step of the temporal discounting framework.« less

Relative L-shell X-ray intensities of Pt, Pb and Bi following ionization by 59.54 keV γ-rays

NASA Astrophysics Data System (ADS)

Dhal, B. B.; Padhi, H. C.

1994-12-01

Relative L-shell X-ray intensities of Pt, Pb and Bi have been measured following ionization by 59.54 keV photons from an 241 Am point source. The measured ratios have been compared with the theoretical ratios estimated using the photoionization cross-sections of Scofield and different decay yield data. The comparison shows good agreement for Pb and Bi with the decay yield data of Krause, but the decay yield data of Xu and Xu overestimates the ratios, particularly for the {I γ}/{I α} ratio. Our results for Pb and Bi with improved error limits also agree with the previous experimental results of Shatendra et al. For Pt our present results are found to lie between the two theoretical results obtained by using different sets of decay yield data.

Boundary shape identification problems in two-dimensional domains related to thermal testing of materials

NASA Technical Reports Server (NTRS)

Banks, H. T.; Kojima, Fumio

1988-01-01

The identification of the geometrical structure of the system boundary for a two-dimensional diffusion system is reported. The domain identification problem treated here is converted into an optimization problem based on a fit-to-data criterion and theoretical convergence results for approximate identification techniques are discussed. Results of numerical experiments to demonstrate the efficacy of the theoretical ideas are reported.

Accurate Theoretical Predictions of the Properties of Energetic Materials

DTIC Science & Technology

2008-09-18

decomposition, Monte Carlo, molecular dynamics, supercritical fluids, solvation and separation, quantum Monte Carlo, potential energy surfaces, RDX , TNAZ...labs, who are contributing to the theoretical efforts, providing data for testing of the models, or aiding in the transition of the methods, models...and results to DoD applications. The major goals of the project are: • Models that describe phase transitions and chemical reactions in

Initial-State Quantum Fluctuations in the Little Bang

DOE PAGES

Gelis, François; Schenke, Björn

2016-06-01

In this work, we review recent developments in the ab initio theoretical description of the initial state in heavy-ion collisions. We emphasize the importance of fluctuations, both for the phenomenological description of experimental data from the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC) and for the theoretical understanding of the nonequilibrium early-time dynamics and thermalization of the medium.

State-resolved Thermal/Hyperthermal Dynamics of Atmospheric Species

DTIC Science & Technology

2015-06-23

gas -room temperature ionic liquid (RTIL) interfaces. 2) Large scale trajectory simulations for theoretical analysis of gas - liquid scattering studies...areas: 1) Diode laser and LIF studies of hyperthermal CO2 and NO collisions at the gas -room temperature ionic liquid (RTIL) interfaces. 2) Large...scale trajectory simulations for theoretical analysis of gas - liquid scattering studies, 3) LIF data for state-resolved scattering of hyperthermal NO at

Software for Computing, Archiving, and Querying Semisimple Braided Monoidal Category Data

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

This software package collects various open source and freely available codes and algorithms to compute and archive the categorical data for certain semisimple braided monoidal categories. In particular, it computes the data for of group theoretical categories for academic research.

Viability of the matter bounce scenario in F(T) gravity and Loop Quantum Cosmology for general potentials

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

Haro, Jaume; Amorós, Jaume, E-mail: jaime.haro@upc.edu, E-mail: jaume.amoros@upc.edu

2014-12-01

We consider the matter bounce scenario in F(T) gravity and Loop Quantum Cosmology (LQC) for phenomenological potentials that at early times provide a nearly matter dominated Universe in the contracting phase, having a reheating mechanism in the expanding or contracting phase, i.e., being able to release the energy of the scalar field creating particles that thermalize in order to match with the hot Friedmann Universe, and finally at late times leading to the current cosmic acceleration. For these potentials, numerically solving the dynamical perturbation equations we have seen that, for the particular F(T) model that we will name teleparallel versionmore » of LQC, and whose modified Friedmann equation coincides with the corresponding one in holonomy corrected LQC when one deals with the flat Friedmann-Lemaître-Robertson-Walker (FLRW) geometry, the corresponding equations obtained from the well-know perturbed equations in F(T) gravity lead to theoretical results that fit well with current observational data. More precisely, in this teleparallel version of LQC there is a set of solutions which leads to theoretical results that match correctly with last BICEP2 data, and there is another set whose theoretical results fit well with Planck's experimental data. On the other hand, in the standard holonomy corrected LQC, using the perturbed equations obtained replacing the Ashtekar connection by a suitable sinus function and inserting some counter-terms in order to preserve the algebra of constrains, the theoretical value of the tensor/scalar ratio is smaller than in the teleparallel version, which means that there is always a set of solutions that matches with Planck's data, but for some potentials BICEP2 experimental results disfavours holonomy corrected LQC.« less

Extensometric observation of Earth tides and local tectonic processes at the Vyhne station, Slovakia

NASA Astrophysics Data System (ADS)

Brimich, Ladislav; Bednárik, Martin; Bezák, Vladimír; Kohút, Igor; Bán, Dóra; Eper-Pápai, Ildikó; Mentes, Gyula

2016-06-01

The Vyhne Tidal Station of the Earth Science Institute of the Slovak Academy of Sciences is located in the former mining gallery of St. Anthony of Padua in the Vyhne valley, Štiavnické vrchy Mts., Central Slovakia. It is equipped with a 20.5 metre long quartz-tube extensometer measuring Earth's tides, and long-term tectonic deformations of the Earth's crust. Data between 2001 and 2015 with some diverse gaps were digitally collected, processed and analysed. The effects of the local conditions, such as structure of the observatory, cavity effect, topography and geological features of the surrounding rocks, were investigated in detail and these effects were taken into consideration during the interpretation of the results of the data analysis. Tidal analysis of the extensometric data between 2005 and 2015 revealed that the measured tidal amplitudes are close to the theoretical values. The tidal transfer of the observatory was also investigated by coherence analysis between the theoretical and the measured extensometric data. The coherence is better than 0.9 both in the diurnal and semidiurnal band. The effect of the free core nutation resonance was also investigated in the case of the K1 and P1 tidal components. Since the K1/O1 ratio was about the theoretical value 0.8, than the P1/O1 was between 1.0 and 1.15 instead of the theoretical value of 0.9. The rate of the long-term strain rate was also investigated and the obtained -0.05 μstr/y shows a good agreement with the strain rate inferred from GPS measurements in the Central European GPS Reference Network.

Information-Theoretical Analysis of EEG Microstate Sequences in Python.

PubMed

von Wegner, Frederic; Laufs, Helmut

2018-01-01

We present an open-source Python package to compute information-theoretical quantities for electroencephalographic data. Electroencephalography (EEG) measures the electrical potential generated by the cerebral cortex and the set of spatial patterns projected by the brain's electrical potential on the scalp surface can be clustered into a set of representative maps called EEG microstates. Microstate time series are obtained by competitively fitting the microstate maps back into the EEG data set, i.e., by substituting the EEG data at a given time with the label of the microstate that has the highest similarity with the actual EEG topography. As microstate sequences consist of non-metric random variables, e.g., the letters A-D, we recently introduced information-theoretical measures to quantify these time series. In wakeful resting state EEG recordings, we found new characteristics of microstate sequences such as periodicities related to EEG frequency bands. The algorithms used are here provided as an open-source package and their use is explained in a tutorial style. The package is self-contained and the programming style is procedural, focusing on code intelligibility and easy portability. Using a sample EEG file, we demonstrate how to perform EEG microstate segmentation using the modified K-means approach, and how to compute and visualize the recently introduced information-theoretical tests and quantities. The time-lagged mutual information function is derived as a discrete symbolic alternative to the autocorrelation function for metric time series and confidence intervals are computed from Markov chain surrogate data. The software package provides an open-source extension to the existing implementations of the microstate transform and is specifically designed to analyze resting state EEG recordings.

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

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments

NASA Astrophysics Data System (ADS)

Prasai, Binay; Wilson, A. R.; Wiley, B. J.; Ren, Y.; Petkov, Valeri

2015-10-01

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modelling methodology. See DOI: 10.1039/c5nr04678e

Theoretical investigation on the magnetic and electric properties in TbSb compound through an anisotropic microscopic model

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

Ranke, P. J. von, E-mail: von.ranke@uol.com.br; Ribeiro, P. O.; Alho, B. P.

2016-05-14

We report the strong correlations between the magnetoresistivity and the magnetic entropy change in the cubic antiferromagnetic TbSb compound. The theoretical investigation was performed through a microscopic model which takes into account the crystalline electrical field anisotropy, exchange coupling interactions between the up and down magnetic sublattices, and the Zeeman interaction. The easy magnetization directions changes from 〈001〉 to 〈110〉 and then to 〈111〉 observed experimentally was successfully theoretically described. Also, the calculation of the temperature dependence of electric resistivity showed good agreement with the experimental data. Theoretical predictions were calculated for the temperature dependence of the magnetic entropy andmore » resistivity changes upon magnetic field variation. Besides, the difference in the spin up and down sublattices resistivity was investigated.« less

Nursing management of sensory overload in psychiatry – development of a theoretical framework model

PubMed

Scheydt, Stefan; Needham, Ian; Nielsen, Gunnar H; Behrens, Johann

2016-09-01

Background: The concept of “removal from stimuli” has already been examined by a Delphi-Study. However, some knowledge gaps remained open, which have now been further investigated. Aim: Examination of the concept “management of sensory overload in inpatient psychiatry” including its sub-concepts and specific measures. Method: Analysis of qualitative data about “removal from stimuli” by content analysis according to Mayring. Results: A theoretical description and definition of the concept could be achieved. In addition, sub-concepts (removal from stimuli, modulation of environmental factors, help somebody to help him-/herself) could be identified, theoretical defined and complemented by possible specific measures. Conclusions: The conceptual descriptions provide a further step to raise awareness of professionals in the subject area. Furthermore, we created a theoretical basis for further empirical studies.

Renormalization group analysis of anisotropic diffusion in turbulent shear flows

NASA Technical Reports Server (NTRS)

Rubinstein, Robert; Barton, J. Michael

1991-01-01

The renormalization group is applied to compute anisotropic corrections to the scalar eddy diffusivity representation of turbulent diffusion of a passive scalar. The corrections are linear in the mean velocity gradients. All model constants are computed theoretically. A form of the theory valid at arbitrary Reynolds number is derived. The theory applies only when convection of the velocity-scalar correlation can be neglected. A ratio of diffusivity components, found experimentally to have a nearly constant value in a variety of shear flows, is computed theoretically for flows in a certain state of equilibrium. The theoretical value is well within the fairly narrow range of experimentally observed values. Theoretical predictions of this diffusivity ratio are also compared with data from experiments and direct numerical simulations of homogeneous shear flows with constant velocity and scalar gradients.

Transformation in the pharmaceutical industry--a systematic analysis of operational evidence.

PubMed

Shafiei, Nader; Ford, James L; Morecroft, Charles W; Lisboa, Paulo J; Taylor, Mark J; Mouzughi, Yusra

2013-01-01

Through systematic collection and trending of pharmaceutical data, operational evidence to verify existence of 14 factors affecting the ongoing pharmaceutical transformation has been compiled. These 14 factors are termed transformation triggers. The theoretical evidence in support of these triggers is carried forward from a systematic review of the literature that was conducted previously. Trends in operational evidence and the associated theoretical evidence were compared to identify areas of similarity and contrast. Areas of strong correlation between theoretical evidence and operational evidence included four transformation triggers: a fully integrated pharma network, personalized medicine, translational research, and pervasive computing. Key areas of contrast included three transformation triggers-namely, healthcare management focus, adaptive trials, and regulatory enforcement-for which the operational evidence was stronger than the theoretical evidence. The intent of this paper is to provide proof to demonstrate if there is any operational evidence that supports the 14 transformation triggers previously identified during the theoretical part of this research. The theoretical evidence for these triggers was carried forward to this paper for study from an operational perspective. The practical evidence established in this paper was compared with the corresponding theoretical evidence to identify areas of similarity and difference. This resulted in four triggers that had strong relationship between operational and theoretical evidence; they are a fully integrated pharma network, personalized medicine, translational research, and pervasive computing. The areas of difference included three transformation triggers for which the operational evidence was stronger than the theoretical evidence. These were healthcare management focus, adaptive trials, and regulatory enforcement.

Theoretical and Empirical Comparison of Big Data Image Processing with Apache Hadoop and Sun Grid Engine

PubMed Central

Bao, Shunxing; Weitendorf, Frederick D.; Plassard, Andrew J.; Huo, Yuankai; Gokhale, Aniruddha; Landman, Bennett A.

2016-01-01

The field of big data is generally concerned with the scale of processing at which traditional computational paradigms break down. In medical imaging, traditional large scale processing uses a cluster computer that combines a group of workstation nodes into a functional unit that is controlled by a job scheduler. Typically, a shared-storage network file system (NFS) is used to host imaging data. However, data transfer from storage to processing nodes can saturate network bandwidth when data is frequently uploaded/retrieved from the NFS, e.g., “short” processing times and/or “large” datasets. Recently, an alternative approach using Hadoop and HBase was presented for medical imaging to enable co-location of data storage and computation while minimizing data transfer. The benefits of using such a framework must be formally evaluated against a traditional approach to characterize the point at which simply “large scale” processing transitions into “big data” and necessitates alternative computational frameworks. The proposed Hadoop system was implemented on a production lab-cluster alongside a standard Sun Grid Engine (SGE). Theoretical models for wall-clock time and resource time for both approaches are introduced and validated. To provide real example data, three T1 image archives were retrieved from a university secure, shared web database and used to empirically assess computational performance under three configurations of cluster hardware (using 72, 109, or 209 CPU cores) with differing job lengths. Empirical results match the theoretical models. Based on these data, a comparative analysis is presented for when the Hadoop framework will be relevant and non-relevant for medical imaging. PMID:28736473

Biology is more theoretical than physics.

PubMed

Gunawardena, Jeremy

2013-06-01

The word "theory" is used in at least two senses--to denote a body of widely accepted laws or principles, as in "Darwinian theory" or "quantum theory," and to suggest a speculative hypothesis, often relying on mathematical analysis, that has not been experimentally confirmed. It is often said that there is no place for the second kind of theory in biology and that biology is not theoretical but based on interpretation of data. Here, ideas from a previous essay are expanded upon to suggest, to the contrary, that the second kind of theory has always played a critical role and that biology, therefore, is a good deal more theoretical than physics.

Development of a wideband pulse quaternary modulation system. [for an operational 400 Mbps baseband laser communication system

NASA Technical Reports Server (NTRS)

Federhofer, J. A.

1974-01-01

Laboratory data verifying the pulse quaternary modulation (PQM) theoretical predictions is presented. The first laboratory PQM laser communication system was successfully fabricated, integrated, tested and demonstrated. System bit error rate tests were performed and, in general, indicated approximately a 2 db degradation from the theoretically predicted results. These tests indicated that no gross errors were made in the initial theoretical analysis of PQM. The relative ease with which the entire PQM laboratory system was integrated and tested indicates that PQM is a viable candidate modulation scheme for an operational 400 Mbps baseband laser communication system.

Carbon chemistry of circumstellar envelopes

NASA Technical Reports Server (NTRS)

Bieging, John H.

1990-01-01

The chemical composition of envelopes surrounding cool evolved stars, as determined from microwave spectroscopic observations, is reviewed. Emphasis is placed on recent observations with the new large mm-wavelength telescopes and interferometer arrays, and on new theoretical work, especially concerning ion-molecule chemistry of carbon-bearing in these envelopes. Thermal (as opposed to maser) emission lines are discussed. Much progress has been made in the past few years in the theoretical understanding of these objects. It is already clear, however, that observations with the new generation of mm-telescopes will require substantial improvements in the theoretical models to achieve a thorough understanding of the data now becoming available.

[Customer and patient satisfaction. An appropriate management tool in hospitals?].

PubMed

Pawils, S; Trojan, A; Nickel, S; Bleich, C

2012-09-01

Recently, the concept of patient satisfaction has been established as an essential part of the quality management of hospitals. Despite the concept's lack of theoretical and methodological foundations, patient surveys on subjective hospital experiences contribute immensely to the improvement of hospitals. What needs to be considered critically in this context is the concept of customer satisfaction for patients, the theoretical integration of empirical results, the reduction of false satisfaction indications and the application of risk-adjusted versus naïve benchmarking of data. This paper aims to contribute to the theoretical discussion of the topic and to build a basis for planning methodologically sound patient surveys.

On-board data management study for EOPAP

NASA Technical Reports Server (NTRS)

Davisson, L. D.

1975-01-01

The requirements, implementation techniques, and mission analysis associated with on-board data management for EOPAP were studied. SEASAT-A was used as a baseline, and the storage requirements, data rates, and information extraction requirements were investigated for each of the following proposed SEASAT sensors: a short pulse 13.9 GHz radar, a long pulse 13.9 GHz radar, a synthetic aperture radar, a multispectral passive microwave radiometer facility, and an infrared/visible very high resolution radiometer (VHRR). Rate distortion theory was applied to determine theoretical minimum data rates and compared with the rates required by practical techniques. It was concluded that practical techniques can be used which approach the theoretically optimum based upon an empirically determined source random process model. The results of the preceding investigations were used to recommend an on-board data management system for (1) data compression through information extraction, optimal noiseless coding, source coding with distortion, data buffering, and data selection under command or as a function of data activity, (2) for command handling, (3) for spacecraft operation and control, and (4) for experiment operation and monitoring.

THE USE OF ELECTRONIC DATA PROCESSING IN CORRECTIONS AND LAW ENFORCEMENT,

DTIC Science & Technology

Reviews the reasons, methods, accomplishments and goals of the use of electronic data processing in the fields of correction and law enforcement . Suggest...statistical and case history data in building a sounder theoretical base in the field of law enforcement . (Author)

Difficulty Factors, Distribution Effects, and the Least Squares Simplex Data Matrix Solution

ERIC Educational Resources Information Center

Ten Berge, Jos M. F.

1972-01-01

In the present article it is argued that the Least Squares Simplex Data Matrix Solution does not deal adequately with difficulty factors inasmuch as the theoretical foundation is insufficient. (Author/CB)

Interpreting New Data from the High Energy Frontier

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

Thaler, Jesse

2016-09-26

This is the final technical report for DOE grant DE-SC0006389, "Interpreting New Data from the High Energy Frontier", describing research accomplishments by the PI in the field of theoretical high energy physics.

Signal Analysis for Aerosat.

DOT National Transportation Integrated Search

1972-08-01

The report addresses signal design for the AEROSAT system. Candidate data and surveillance modems are analyzed for L-Band avionics. Detailed theoretical analyses are presented of the effects of the oceanic satellite-aircraft channel on data modem per...

Emissions data by category of engines

NASA Technical Reports Server (NTRS)

Barriage, J.; Westfield, W.; Becker, E. E.

1976-01-01

Exhaust gas pollutant emissions data under test stand conditions were obtained for the following: (1) full-rich baseline test (7-mode cycle), (2) lean-out tests for each power mode, and (3) different spark settings. The test data were also used to create a theoretical 5-mode cycle baseline. The emissions data in the framework of the theoretical 5-mode cycle were emphasized. There is no significant difference in the test results produced by data exhibited on the 7-mode cycle or 5-mode cycle. The 5-mode cycle was slightly more conservative for the carbon monoxide pollutant than the 7-mode cycle. The data were evaluated to determine which mode(s) had the greatest influence on improving general aviation piston engine emissions. Improvements that were achieved as a result of making lean-out adjustments to the fuel metering device were: (1) taxi mode only, (2) taxi and approach modes combined, and (3) leaning-out of the climb mode to best power.

Are we ready to accept the challenge? Addressing the shortcomings of contemporary qualitative health research.

PubMed

Lau, Sofie Rosenlund; Traulsen, Janine M

Qualitative approaches represent an important contributor to health care research. However, several researchers argue that contemporary qualitative research does not live up to its full potential. By presenting a snapshot of contemporary qualitative research in the field of social and administrative pharmacy, this study challenges contributors to the field by asking: Are we ready to accept the challenge and take qualitative research one step further? The purpose of this study was to initiate a constructive dialogue on the need for increased transparency in qualitative data analysis, including explicitly reflecting upon theoretical perspectives affecting the research process. Content analysis was used to evaluate levels of theoretical visibility and analysis transparency in selected qualitative research articles published in Research in Social and Administrative Pharmacy between January 2014 and January 2015. In 14 out of 21 assessed papers, the use of theory was found to be Seemingly Absent (lowest level of theory use), and the data analyses did not include any interpretive endeavors. Only two papers consistently applied theory throughout the entire study and clearly took the data analyses from a descriptive to an interpretive level. It was found that the aim of the majority of assessed papers was to change or modify a given practice, which however, resulted in a lack of both theoretical underpinnings and analysis transparency. This study takes the standpoint that theory and high-quality analysis go hand-in-hand. Based on the content analysis, articles that were deemed to be high in quality were explicit about the theoretical framework of their study and transparent in how they analyzed their data. It was found that theory contributed to the transparency of how the data were analyzed and interpreted. Two ways of improving contemporary qualitative research in the field of social and administrative pharmacy are discussed: engaging with social theory and establishing close collaboration with social scientists. Copyright © 2016 Elsevier Inc. All rights reserved.

Cross-language diversity, head-direction and grammars. Comment on "Dependency distance: A new perspective on syntactic patterns in natural languages" by Haitao Liu et al.

NASA Astrophysics Data System (ADS)

Hudson, Richard

2017-07-01

This paper [4] - referred to below as 'LXL' - is an excellent example of cross-disciplinary work which brings together three very different disciplines, each with its different methods: quantitative computational linguistics (exploring big data), psycholinguistics (using experiments with human subjects) and theoretical linguistics (building models based on language descriptions). The measured unit is the dependency between two words, as defined by theoretical linguistics, and the question is how the length of this dependency affects the choices made by writers, as revealed in big data from a wide range of languages.

Comparison of analytical and experimental subsonic steady and unsteady pressure distributions for a high-aspect-ratio-supercritical wing model with oscillating control surfaces

NASA Technical Reports Server (NTRS)

Mccain, W. E.

1982-01-01

The results of a comparative study using the unsteady aerodynamic lifting surface theory, known as the Doublet Lattice method, and experimental subsonic steady- and unsteady-pressure measurements, are presented for a high-aspect-ratio supercritical wing model. Comparisons of pressure distributions due to wing angle of attack and control-surface deflections were made. In general, good correlation existed between experimental and theoretical data over most of the wing planform. The more significant deviations found between experimental and theoretical data were in the vicinity of control surfaces for both static and oscillatory control-surface deflections.

Against the empirical viability of the Deutsch-Wallace-Everett approach to quantum mechanics

NASA Astrophysics Data System (ADS)

Dawid, Richard; Thébault, Karim P. Y.

2014-08-01

The subjective Everettian approach to quantum mechanics presented by Deutsch and Wallace fails to constitute an empirically viable theory of quantum phenomena. The decision theoretic implementation of the Born rule realized in this approach provides no basis for rejecting Everettian quantum mechanics in the face of empirical data that contradicts the Born rule. The approach of Greaves and Myrvold, which provides a subjective implementation of the Born rule as well but derives it from empirical data rather than decision theoretic arguments, avoids the problem faced by Deutsch and Wallace and is empirically viable. However, there is good reason to cast doubts on its scientific value.

Theoretical Performance of Hydrogen-Oxygen Rocket Thrust Chambers

NASA Technical Reports Server (NTRS)

Sievers, Gilbert K.; Tomazic, William A.; Kinney, George R.

1961-01-01

Data are presented for liquid-hydrogen-liquid-oxygen thrust chambers at chamber pressures from 15 to 1200 pounds per square inch absolute, area ratios to approximately 300, and percent fuel from about 8 to 34 for both equilibrium and frozen composition during expansion. Specific impulse in vacuum, specific impulse, combustion-chamber temperature, nozzle-exit temperature, characteristic velocity, and the ratio of chamber-to-nozzle-exit pressure are included. The data are presented in convenient graphical forms to allow quick calculation of theoretical nozzle performance with over- or underexpansion, flow separation, and introduction of the propellants at various initial conditions or heat loss from the combustion chamber.

Suggestions for presenting the results of data analyses

USGS Publications Warehouse

Anderson, David R.; Link, William A.; Johnson, Douglas H.; Burnham, Kenneth P.

2001-01-01

We give suggestions for the presentation of research results from frequentist, information-theoretic, and Bayesian analysis paradigms, followed by several general suggestions. The information-theoretic and Bayesian methods offer alternative approaches to data analysis and inference compared to traditionally used methods. Guidance is lacking on the presentation of results under these alternative procedures and on nontesting aspects of classical frequentists methods of statistical analysis. Null hypothesis testing has come under intense criticism. We recommend less reporting of the results of statistical tests of null hypotheses in cases where the null is surely false anyway, or where the null hypothesis is of little interest to science or management.

Energy levels, oscillator strengths, and transition probabilities for sulfur-like scandium, Sc VI

NASA Astrophysics Data System (ADS)

El-Maaref, A. A.; Abou Halaka, M. M.; Saddeek, Yasser B.

2017-09-01

Energy levels, Oscillator strengths, and transition probabilities for sulfur-like scandium are calculated using CIV3 code. The calculations have been executed in an intermediate coupling scheme using Breit-Pauli Hamiltonian. The present calculations have been compared with the experimental data and other theoretical calculations. LANL code has been used to confirm the accuracy of the present calculations, where the calculations using CIV3 code agree well with the corresponding values by LANL code. The calculated energy levels and oscillator strengths are in reasonable agreement with the published experimental data and theoretical values. We have calculated lifetimes of some excited levels, as well.

REVIEWS OF TOPICAL PROBLEMS: Free oscillations of the sun and the giant planets

NASA Astrophysics Data System (ADS)

Vorontsov, S. V.; Zharkov, V. N.

1981-08-01

The current state of research on the free oscillations of the sun is reviewed. Observational data on oscillations with periods from 5 to 160 min published through the end of 1980 are described. The interpretation of these data in connection with research on the internal structure of the sun is discussed. A theory of the free oscillations in the linear adiabatic approximation is described; differential rotation is taken into account. The principles for classifying the theoretical normal modes are discussed. The problem of the excitation of the solar oscillations is outlined. The theoretical normal-mode spectra of Jupiter and Saturn are discussed.

Satellite, climatological, and theoretical inputs for modeling of the diurnal cycle of fire emissions

NASA Astrophysics Data System (ADS)

Hyer, E. J.; Reid, J. S.; Schmidt, C. C.; Giglio, L.; Prins, E.

2009-12-01

The diurnal cycle of fire activity is crucial for accurate simulation of atmospheric effects of fire emissions, especially at finer spatial and temporal scales. Estimating diurnal variability in emissions is also a critical problem for construction of emissions estimates from multiple sensors with variable coverage patterns. An optimal diurnal emissions estimate will use as much information as possible from satellite fire observations, compensate known biases in those observations, and use detailed theoretical models of the diurnal cycle to fill in missing information. As part of ongoing improvements to the Fire Location and Monitoring of Burning Emissions (FLAMBE) fire monitoring system, we evaluated several different methods of integrating observations with different temporal sampling. We used geostationary fire detections from WF_ABBA, fire detection data from MODIS, empirical diurnal cycles from TRMM, and simple theoretical diurnal curves based on surface heating. Our experiments integrated these data in different combinations to estimate the diurnal cycles of emissions for each location and time. Hourly emissions estimates derived using these methods were tested using an aerosol transport model. We present results of this comparison, and discuss the implications of our results for the broader problem of multi-sensor data fusion in fire emissions modeling.

Observation of the Earth Liquid Core Resonance by Extensometers

NASA Astrophysics Data System (ADS)

Bán, Dóra; Mentes, Gyula; Kis, Márta; Koppán, András

2018-05-01

We performed Earth tidal measurements by quartz tube extensometers of the same type at several observatories (Budapest, Pécs, Sopronbánfalva in Hungary and Vyhne in Slovakia). In this paper, the first attempts to reveal the effect of the Free Core Nutation (FCN) from strain measurements are described. The effect of the FCN on the P1, K1, Ψ1 and Φ1 tidal waves were studied on the basis of tidal results obtained in four observatories. Effectiveness of the correction of tidal data for temperature, barometric pressure and ocean load was also investigated. The obtained K1/O1 ratios are close to the theoretical values with exception of the Pécs station. We found a discrepancy between the observed and theoretical P1/O1 values for all stations with exception of the Budapest station. It was found that the difference between the measured and theoretical Ψ1/O1 and Φ1/O1 ratios was very large independently of correction of the strain data. These discrepancies need further investigations. According to our results, fluid core resonance effects can also be detected by our quartz tube extensometers but correction of strain data for local effects is necessary.

Interface Pattern Selection in Directional Solidification

NASA Technical Reports Server (NTRS)

Trivedi, Rohit; Tewari, Surendra N.

2001-01-01

The central focus of this research is to establish key scientific concepts that govern the selection of cellular and dendritic patterns during the directional solidification of alloys. Ground-based studies have established that the conditions under which cellular and dendritic microstructures form are precisely where convection effects are dominant in bulk samples. Thus, experimental data can not be obtained terrestrially under pure diffusive regime. Furthermore, reliable theoretical models are not yet possible which can quantitatively incorporate fluid flow in the pattern selection criterion. Consequently, microgravity experiments on cellular and dendritic growth are designed to obtain benchmark data under diffusive growth conditions that can be quantitatively analyzed and compared with the rigorous theoretical model to establish the fundamental principles that govern the selection of specific microstructure and its length scales. In the cellular structure, different cells in an array are strongly coupled so that the cellular pattern evolution is controlled by complex interactions between thermal diffusion, solute diffusion and interface effects. These interactions give infinity of solutions, and the system selects only a narrow band of solutions. The aim of this investigation is to obtain benchmark data and develop a rigorous theoretical model that will allow us to quantitatively establish the physics of this selection process.

Choosing to Live or Die: Online Narratives of Recovering from Methamphetamine Abuse.

PubMed

Obong'o, Christopher O; Alexander, Adam C; Chavan, Prachi P; Dillon, Patrick J; Kedia, Satish K

2017-01-01

The goal of this study is to explore motivating factors for recovering from methamphetamine abuse. The source of data was 202 anonymous letters and stories submitted to an online support platform for methamphetamine users. Qualitative data were analyzed in Dedoose software using grounded theory methodology. Ten primary motivating factors for recovering from methamphetamine abuse were identified and mapped onto four constructs from the Health Belief Model: (1) perceived susceptibility (learning from others and learning from self); (2) perceived severity (fear of death and declining health); (3) perceived benefits (reconnecting with family, reconnecting with society, and recovering self-esteem); and (4) cues to action (hitting rock bottom, finding God, and becoming pregnant). By using data from an online support group and categorizing emerging themes within a theoretical framework, findings from this study provide a comprehensive understanding of factors involved in recovery from methamphetamine abuse and offer further insights in developing theoretically informed interventions for methamphetamine users. This study suggests the utility of online platforms for obtaining anonymous but unique experiences about drug abuse and recovery. Findings may benefit healthcare professionals, counselors, and researchers by helping to develop theoretically informed interventions for methamphetamine abuse.

Chaos in nuclei: Theory and experiment

NASA Astrophysics Data System (ADS)

Muñoz, L.; Molina, R. A.; Gómez, J. M. G.

2018-05-01

During the last three decades the quest for chaos in nuclei has been quite intensive, both with theoretical calculations using nuclear models and with detailed analyses of experimental data. In this paper we outline the concept and characteristics of quantum chaos in two different approaches, the random matrix theory fluctuations and the time series fluctuations. Then we discuss the theoretical and experimental evidence of chaos in nuclei. Theoretical calculations, especially shell-model calculations, have shown a strongly chaotic behavior of bound states in regions of high level density. The analysis of experimental data has shown a strongly chaotic behavior of nuclear resonances just above the one-nucleon emission threshold. For bound states, combining experimental data of a large number of nuclei, a tendency towards chaotic motion is observed in spherical nuclei, while deformed nuclei exhibit a more regular behavior associated to the collective motion. On the other hand, it had never been possible to observe chaos in the experimental bound energy levels of any single nucleus. However, the complete experimental spectrum of the first 151 states up to excitation energies of 6.20 MeV in the 208Pb nucleus have been recently identified and the analysis of its spectral fluctuations clearly shows the existence of chaotic motion.

Theoretical studies of spectroscopic problems of importance for atmospheric radiation measurements

NASA Technical Reports Server (NTRS)

Tipping, Richard H.

1994-01-01

Many of the instruments used to deduce the physical parameters of the Earth's atmosphere necessary for climate studies or for pollution monitoring (for instance, temperature versus pressure or number densities of trace molecules) rely on the existence of accurate spectroscopic data and an understanding of the physical processes responsible for the absorption or emission of radiation. During the summer, research was either continued or begun on three distinct problems: (1) an improved theoretical framework for the calculation of the far-wing absorption of allowed spectral lines; (2) a refinement of the calculation of the collision-induced fundamental spectrum of N2; and (3) an investigation of possible line-mixing effects in the fundamental spectrum of CH4. Progress in these three areas is summarized below. During the past few years, we have developed a theoretical framework for the calculation of the absorption of radiation by the far wings of spectral lines. Such absorption due to water vapor plays a crucial role in the greenhouse effect as well as limiting the retrieval of temperature profiles from satellite data. Several improvements in the theory have been made and the results are being prepared for publication. Last year we published results for the theoretical calculation of the absorption of radiation due to the dipoles induced during binary collisions of N2 molecules using independently measured molecular parameters; the results were in reasonable agreement with experimental data. However, recent measurements have revealed new fine structure that has been attributed to line-mixing effects. We do not think that this is correct, rather that the structure results from short-range anisotropic dipoles. We are in the process of including this refinement in our theoretical calculation in order to compare with the new experimental data. Subtle changes in the spectra of CH4 measured by researchers at Langley have also been attributed to line-mixing effects. By analyzing the same spectral lines we have attempted to verify or rule out possible line-mixing mechanisms. Due to the complexity and richness of the spectrum of this highly symmetric molecule, as well as the small magnitude of the effects, a detailed first-principle calculation of the mixing is a difficult problem. Before such a program is undertaken it is important to glean as much information as possible concerning the possible mechanisms by a systematic analysis of the existing data.

Constraints on the gluon PDF from top quark pair production at hadron colliders

NASA Astrophysics Data System (ADS)

Czakon, Michal; Mangano, Michelangelo L.; Mitov, Alexander; Rojo, Juan

2013-07-01

Using the recently derived NNLO cross sections [1], we provide NNLO+NNLL theoretical predictions for top quark pair production based on all the available NNLO PDF sets, and compare them with the most precise LHC and Tevatron data. In this comparison we study in detail the PDF uncertainty and the scale, m t and α s dependence of the theoretical predictions for each PDF set. Next, we observe that top quark pair production provides a powerful direct constraint on the gluon PDF at large x, and include Tevatron and LHC top pair data consistently into a global NNLO PDF fit. We then explore the phenomenological consequences of the reduced gluon PDF uncertainties, by showing how they can improve predictions for Beyond the Standard Model processes at the LHC. Finally, we update to full NNLO+NNLL the theoretical predictions for the ratio of top quark cross sections between different LHC center of mass energies, as well as the cross sections for hypothetical heavy fourth-generation quark production at the LHC.

The guanidine and maleic acid (1:1) complex. The additional theoretical and experimental studies.

PubMed

Drozd, Marek; Dudzic, Damian

2012-04-01

On the basis of experimental literature data the theoretical studies for guanidinium and maleic acid complex with using DFT method are performed. In these studies the experimental X-ray data for two different forms of investigated crystal were used. During the geometry optimization process one equilibrium structure was found, only. According to this result the infrared spectrum for one theoretical molecule was calculated. On the basis of potential energy distribution (PED) analysis the clear-cut assignments of observed bands were performed. For the calculated molecule with energy minimum the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) were obtained and graphically illustrated. The energy difference (GAP) between HOMO and LUMO was analyzed. Additionally, the nonlinear properties of this molecule were calculated. The α and β (first and second order) hyperpolarizability values are obtained. On the basis of these results the title crystal was classified as new second order NLO generator. Copyright © 2011 Elsevier B.V. All rights reserved.

Synthesis, spectroscopic investigation and theoretical studies of 2-((E)-(2-(2-cyanoacetyl)hydrazono)methyl)-4-((E)-phenyldiazenyl)phenyl methyl carbonate

NASA Astrophysics Data System (ADS)

Arokiasamy, A.; Manikandan, G.; Thanikachalam, V.; Gokula Krishnan, K.

2017-04-01

Synthesis and computational optimization studies have been carried out by Hartree-Fock (HF) and Density Functional Theory (DFT-B3LYP) methods with 6-31+G(d, p) basis set for 2-((E)-(2-(2-cyanoacetyl)hydrazono)methyl)-4-((E)-phenyldiazenyl)phenyl methyl carbonate (CHPMC). The stable configuration of CHPMC was confirmed theoretically by potential energy surface scan analysis. The complete vibrational assignments were performed on the basis of total energy distribution (TED) analysis. The vibrational properties studied by IR and Raman spectroscopic data complemented by quantum chemical calculations support the formation of intramolecular hydrogen bond. Furthermore, the UV-Vis spectra are interpreted in terms of TD-DFT quantum chemical calculations. The shapes of the simulated absorption spectra are in good agreement with the experimental data. The comparison between the experimental and theoretical values of FT-IR, FT-Raman vibrational spectra, NMR (1H and 13C) and UV-Vis spectra have also been discussed.

Global multiresolution models of surface wave propagation: comparing equivalently regularized Born and ray theoretical solutions

NASA Astrophysics Data System (ADS)

Boschi, Lapo

2006-10-01

I invert a large set of teleseismic phase-anomaly observations, to derive tomographic maps of fundamental-mode surface wave phase velocity, first via ray theory, then accounting for finite-frequency effects through scattering theory, in the far-field approximation and neglecting mode coupling. I make use of a multiple-resolution pixel parametrization which, in the assumption of sufficient data coverage, should be adequate to represent strongly oscillatory Fréchet kernels. The parametrization is finer over North America, a region particularly well covered by the data. For each surface-wave mode where phase-anomaly observations are available, I derive a wide spectrum of plausible, differently damped solutions; I then conduct a trade-off analysis, and select as optimal solution model the one associated with the point of maximum curvature on the trade-off curve. I repeat this exercise in both theoretical frameworks, to find that selected scattering and ray theoretical phase-velocity maps are coincident in pattern, and differ only slightly in amplitude.

Electrostatic turbulence in the earth's central plasma sheet produced by multiple-ring ion distributions

NASA Technical Reports Server (NTRS)

Huba, J. D.; Chen, J.; Anderson, R. R.

1992-01-01

Attention is given to a mechanism to generate a broad spectrum of electrostatic turbulence in the quiet time central plasma sheet (CPS) plasma. It is shown theoretically that multiple-ring ion distributions can generate short-wavelength (less than about 1), electrostatic turbulence with frequencies less than about kVj, where Vj is the velocity of the jth ring. On the basis of a set of parameters from measurements made in the CPS, it is found that electrostatic turbulence can be generated with wavenumbers in the range of 0.02 and 1.0, with real frequencies in the range of 0 and 10, and with linear growth rates greater than 0.01 over a broad range of angles relative to the magnetic field (5-90 deg). These theoretical results are compared with wave data from ISEE 1 using an ion distribution function exhibiting multiple-ring structures observed at the same time. The theoretical results in the linear regime are found to be consistent with the wave data.

On the independence of visual awareness and metacognition: a signal detection theoretic analysis.

PubMed

Jachs, Barbara; Blanco, Manuel J; Grantham-Hill, Sarah; Soto, David

2015-04-01

Classically, visual awareness and metacognition are thought to be intimately linked, with our knowledge of the correctness of perceptual choices (henceforth metacognition) being dependent on the level of stimulus awareness. Here we used a signal detection theoretic approach involving a Gabor orientation discrimination task in conjunction with trial-by-trial ratings of perceptual awareness and response confidence in order to gauge estimates of type-1 (perceptual) orientation sensitivity and type-2 (metacognitive) sensitivity at different levels of stimulus awareness. Data from three experiments indicate that while the level of stimulus awareness had a profound impact on type-1 perceptual sensitivity, the awareness effect on type-2 metacognitive sensitivity was far lower by comparison. The present data pose a challenge for signal detection theoretic models in which both type-1 (perceptual) and type-2 (metacognitive) processes are assumed to operate on the same input. More broadly, the findings challenge the commonly held view that metacognition is tightly coupled to conscious states. (c) 2015 APA, all rights reserved.

Patient perceptions of patient-centred care: empirical test of a theoretical model.

PubMed

Rathert, Cheryl; Williams, Eric S; McCaughey, Deirdre; Ishqaidef, Ghadir

2015-04-01

Patient perception measures are gaining increasing interest among scholars and practitioners. The aim of this study was to empirically examine a conceptual model of patient-centred care using patient perception survey data. Patient-centred care is one of the Institute of Medicine's objectives for improving health care in the 21st century. Patient interviews conducted by the Picker Institute/Commonwealth Fund in the 1980s resulted in a theoretical model and survey questions with dimensions and attributes patients defined as patient-centered. The present study used survey data from patients with overnight visits at 142 U.S. hospitals. Regression analysis found significant support for the theoretical model. Perceptions of emotional support had the strongest relationship with overall care ratings. Coordination of care, and physical comfort were strongly related as well. Understanding how patients experience their care can help improve understanding of what patients believe is patient-centred, and of how care processes relate to important patient outcomes. © 2012 John Wiley & Sons Ltd.

Theoretical aspect of suitable spatial boundary condition specified for adjoint model on limited area

NASA Astrophysics Data System (ADS)

Wang, Yuan; Wu, Rongsheng

2001-12-01

Theoretical argumentation for so-called suitable spatial condition is conducted by the aid of homotopy framework to demonstrate that the proposed boundary condition does guarantee that the over-specification boundary condition resulting from an adjoint model on a limited-area is no longer an issue, and yet preserve its well-poseness and optimal character in the boundary setting. The ill-poseness of over-specified spatial boundary condition is in a sense, inevitable from an adjoint model since data assimilation processes have to adapt prescribed observations that used to be over-specified at the spatial boundaries of the modeling domain. In the view of pragmatic implement, the theoretical framework of our proposed condition for spatial boundaries indeed can be reduced to the hybrid formulation of nudging filter, radiation condition taking account of ambient forcing, together with Dirichlet kind of compatible boundary condition to the observations prescribed in data assimilation procedure. All of these treatments, no doubt, are very familiar to mesoscale modelers.

Theoretical and Observational Studies of Meteor Interactions with the Ionosphere

DTIC Science & Technology

2006-06-01

within an order of magnitude. The histograms of scattering mass, calculated from data collected at the ALTAIR rada are contained in Figure 1 . These...RTO-MP-IST-056 12 - 1 UNCLASSIFIED/UNLIMITED UNCLASSIFIED/UNLIMITED Theoretical and Observational Studies of Meteor Interactions with the...Observational Studies of Meteor Interactions with the Ionosphere. In Characterising the Ionosphere (pp. 12- 1 – 12-12). Meeting Proceedings RTO-MP-IST-056

Thermal refraction focusing in planar index-antiguided lasers.

PubMed

Casperson, Lee W; Dittli, Adam; Her, Tsing-Hua

2013-03-15

Thermal refraction focusing in planar index-antiguided lasers is investigated both theoretically and experimentally. An analytical model based on zero-field approximation is presented for treating the combined effects of index antiguiding and thermal focusing. At very low pumping power, the mode is antiguided by the amplifier boundary, whereas at high pumping power it narrows due to thermal focusing. Theoretical results are in reasonable agreement with experimental data.

Theoretical foundations for information representation and constraint specification

NASA Technical Reports Server (NTRS)

Menzel, Christopher P.; Mayer, Richard J.

1991-01-01

Research accomplished at the Knowledge Based Systems Laboratory of the Department of Industrial Engineering at Texas A&M University is described. Outlined here are the theoretical foundations necessary to construct a Neutral Information Representation Scheme (NIRS), which will allow for automated data transfer and translation between model languages, procedural programming languages, database languages, transaction and process languages, and knowledge representation and reasoning control languages for information system specification.

Observational and theoretical investigations in solar seismology

NASA Technical Reports Server (NTRS)

Noyes, Robert W.

1992-01-01

This is the final report on a project to develop a theoretical basis for interpreting solar oscillation data in terms of the interior dynamics and structure of the Sun. The topics covered include the following: (1) studies of the helioseismic signatures of differential rotation and convection in the solar interior; (2) wave generation by turbulent convection; and (3) the study of antipodal sunspot imaging of an active region tomography.

Observing the epoch of galaxy formation.

PubMed

Steidel, C C

1999-04-13

Significant observational progress in addressing the question of the origin and early evolution of galaxies has been made in the past few years, allowing for direct comparison of the epoch when most of the stars in the universe were forming to prevailing theoretical models. There is currently broad consistency between theoretical expectations and the observations, but rapid improvement in the data will provide much more critical tests of theory in the coming years.

Wordbank: An Open Repository for Developmental Vocabulary Data

ERIC Educational Resources Information Center

Frank, Michael C.; Braginsky, Mika; Yurovsky, Daniel; Marchman, Virginia A.

2017-01-01

The MacArthur-Bates Communicative Development Inventories (CDIs) are a widely used family of parent-report instruments for easy and inexpensive data-gathering about early language acquisition. CDI data have been used to explore a variety of theoretically important topics, but, with few exceptions, researchers have had to rely on data collected in…

Exploring the Dominant Discourse of Baccalaureate Nursing Education in Iran

PubMed Central

Yazdannik, Ahmadreza; Yousefy, Alireza; Mohammadi, Sepideh

2017-01-01

Introduction: Understanding how academic dominant discourse is implicated in the shaping of nursing identity, professional aspirations and socialization of nursing students is useful as it can lead to strategies that promote nursing profession. Materials and Methods: This is a qualitative research conducted through discourse analysis approach. Semi-structured interviews, focus group, and direct observation of undergraduate theoretical and clinical courses were used to collect the data. Participants were 71 nursing students, 20 nursing educators, and 5 nursing board staffs from five universities in Iran. Results: Data analysis resulted in the development of four main themes that represent essential discourses of nursing education. The discourses explored are theoretical and scientific nursing, domination of biomedical paradigm, caring as an empty signifier, and more than expected role of research in nursing education discourse. Conclusions: The results indicated that academics attempt to define itself based on “scientific knowledge” and faculties seek to socialize students by emphasizing the scientific/theoretical basis of nursing and research, with the dominance of biomedical discourse. It fails to conceptually grasp the reality of nursing practice, and the result is an untested and impoverished theoretical discourse. The analysis highlights the need for the formation of a strong and new discourse, which contains articulation of signifiers extracted from the nature of the profession. PMID:28382053

Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaPxSb1-x ternary alloys

NASA Astrophysics Data System (ADS)

Oumelaz, F.; Nemiri, O.; Boumaza, A.; Ghemid, S.; Meradji, H.; Bin Omran, S.; El Haj Hassan, F.; Rai, D. P.; Khenata, R.

2018-06-01

In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaPxSb1-x ternary alloys. Our calculations are performed with the WIEN2k code based on density functional theory using the full-potential linearized augmented plane wave method. For the electron exchange-correlation potential, a generalized gradient approximation within Wu-Cohen scheme is considered. The recently developed Tran-Blaha modified Becke-Johnson potential has also been used to improve the underestimated band gap. The structural properties, including the lattice constants, the bulk moduli and their pressure derivatives are in very good agreement with the available experimental data and theoretical results. Several structural phase transitions were studied here to establish the stable structure and to predict the phase transition under hydrostatic pressure. The computed transition pressure (Pt) of the material of our interest from the zinc blende (B3) to the rock salt (B1) phase has been determined and found to agree well with the experimental and theoretical data. The calculated band structure shows that GaSb binary compound and the ternary alloys are direct band gap semiconductors. Optical parameters such as the dielectric constants and the refractive indices are calculated and analyzed. The thermodynamic results are also interpreted and analyzed.

Theoretical repeatability assessment without repetitive measurements in gradient high-performance liquid chromatography.

PubMed

Kotani, Akira; Tsutsumi, Risa; Shoji, Asaki; Hayashi, Yuzuru; Kusu, Fumiyo; Yamamoto, Kazuhiro; Hakamata, Hideki

2016-07-08

This paper puts forward a time and material-saving method for evaluating the repeatability of area measurements in gradient HPLC with UV detection (HPLC-UV), based on the function of mutual information (FUMI) theory which can theoretically provide the measurement standard deviation (SD) and detection limits through the stochastic properties of baseline noise with no recourse to repetitive measurements of real samples. The chromatographic determination of terbinafine hydrochloride and enalapril maleate is taken as an example. The best choice of the number of noise data points, inevitable for the theoretical evaluation, is shown to be 512 data points (10.24s at 50 point/s sampling rate of an A/D converter). Coupled with the relative SD (RSD) of sample injection variability in the instrument used, the theoretical evaluation is proved to give identical values of area measurement RSDs to those estimated by the usual repetitive method (n=6) over a wide concentration range of the analytes within the 95% confidence intervals of the latter RSD. The FUMI theory is not a statistical one, but the "statistical" reliability of its SD estimates (n=1) is observed to be as high as that attained by thirty-one measurements of the same samples (n=31). Copyright © 2016 Elsevier B.V. All rights reserved.

Theoretical Accuracy of Along-Track Displacement Measurements from Multiple-Aperture Interferometry (MAI)

PubMed Central

Jung, Hyung-Sup; Lee, Won-Jin; Zhang, Lei

2014-01-01

The measurement of precise along-track displacements has been made with the multiple-aperture interferometry (MAI). The empirical accuracies of the MAI measurements are about 6.3 and 3.57 cm for ERS and ALOS data, respectively. However, the estimated empirical accuracies cannot be generalized to any interferometric pair because they largely depend on the processing parameters and coherence of the used SAR data. A theoretical formula is given to calculate an expected MAI measurement accuracy according to the system and processing parameters and interferometric coherence. In this paper, we have investigated the expected MAI measurement accuracy on the basis of the theoretical formula for the existing X-, C- and L-band satellite SAR systems. The similarity between the expected and empirical MAI measurement accuracies has been tested as well. The expected accuracies of about 2–3 cm and 3–4 cm (γ = 0.8) are calculated for the X- and L-band SAR systems, respectively. For the C-band systems, the expected accuracy of Radarsat-2 ultra-fine is about 3–4 cm and that of Sentinel-1 IW is about 27 cm (γ = 0.8). The results indicate that the expected MAI measurement accuracy of a given interferometric pair can be easily calculated by using the theoretical formula. PMID:25251408

Flow through a very porous obstacle in a shallow channel

PubMed Central

Draper, S.; Nishino, T.; Borthwick, A. G. L.

2017-01-01

A theoretical model, informed by numerical simulations based on the shallow water equations, is developed to predict the flow passing through and around a uniform porous obstacle in a shallow channel, where background friction is important. This problem is relevant to a number of practical situations, including flow through aquatic vegetation, the performance of arrays of turbines in tidal channels and hydrodynamic forces on offshore structures. To demonstrate this relevance, the theoretical model is used to (i) reinterpret core flow velocities in existing laboratory-based data for an array of emergent cylinders in shallow water emulating aquatic vegetation and (ii) reassess the optimum arrangement of tidal turbines to generate power in a tidal channel. Comparison with laboratory-based data indicates a maximum obstacle resistance (or minimum porosity) for which the present theoretical model is valid. When the obstacle resistance is above this threshold the shallow water equations do not provide an adequate representation of the flow, and the theoretical model over-predicts the core flow passing through the obstacle. The second application of the model confirms that natural bed resistance increases the power extraction potential for a partial tidal fence in a shallow channel and alters the optimum arrangement of turbines within the fence. PMID:28484321

Retrieval of ice thickness from polarimetric SAR data

NASA Technical Reports Server (NTRS)

Kwok, R.; Yueh, S. H.; Nghiem, S. V.; Huynh, D. D.

1993-01-01

We describe a potential procedure for retrieving ice thickness from multi-frequency polarimetric SAR data for thin ice. This procedure includes first masking out the thicker ice types with a simple classifier and then deriving the thickness of the remaining pixels using a model-inversion technique. The technique used to derive ice thickness from polarimetric observations is provided by a numerical estimator or neural network. A three-layer perceptron implemented with the backpropagation algorithm is used in this investigation with several improved aspects for a faster convergence rate and a better accuracy of the neural network. These improvements include weight initialization, normalization of the output range, the selection of offset constant, and a heuristic learning algorithm. The performance of the neural network is demonstrated by using training data generated by a theoretical scattering model for sea ice matched to the database of interest. The training data are comprised of the polarimetric backscattering coefficients of thin ice and the corresponding input ice parameters to the scattering model. The retrieved ice thickness from the theoretical backscattering coefficients is compare with the input ice thickness to the scattering model to illustrate the accuracy of the inversion method. Results indicate that the network convergence rate and accuracy are higher when multi-frequency training sets are presented. In addition, the dominant backscattering coefficients in retrieving ice thickness are found by comparing the behavior of the network trained backscattering data at various incidence angels. After the neural network is trained with the theoretical backscattering data at various incidence anges, the interconnection weights between nodes are saved and applied to the experimental data to be investigated. In this paper, we illustrate the effectiveness of this technique using polarimetric SAR data collected by the JPL DC-8 radar over a sea ice scene.

Phase-lock-loop application for fiber optic receiver

NASA Astrophysics Data System (ADS)

Ruggles, Stephen L.; Wills, Robert W.

1991-02-01

Phase-locked loop circuits are frequently employed in communication systems. In recent years, digital phase-locked loop circuits were utilized in optical communications systems. In an optical transceiver system, the digital phase-locked loop circuit is connected to the output of the receiver to extract a clock signal from the received coded data (NRZ, Bi-Phase, or Manchester). The clock signal is then used to reconstruct or recover the original data from the coded data. A theoretical approach to the design of a digital phase-locked loop circuit operation at 1 and 50 MHz is described. Hardware implementation of a breadboard design to function at 1 MHz and a printed-circuit board designed to function at 50 MHz were assembled using emitter coupled logic (ECL) to verify experimentally the theoretical design.

[Introduction to grounded theory].

PubMed

Wang, Shou-Yu; Windsor, Carol; Yates, Patsy

2012-02-01

Grounded theory, first developed by Glaser and Strauss in the 1960s, was introduced into nursing education as a distinct research methodology in the 1970s. The theory is grounded in a critique of the dominant contemporary approach to social inquiry, which imposed "enduring" theoretical propositions onto study data. Rather than starting from a set theoretical framework, grounded theory relies on researchers distinguishing meaningful constructs from generated data and then identifying an appropriate theory. Grounded theory is thus particularly useful in investigating complex issues and behaviours not previously addressed and concepts and relationships in particular populations or places that are still undeveloped or weakly connected. Grounded theory data analysis processes include open, axial and selective coding levels. The purpose of this article was to explore the grounded theory research process and provide an initial understanding of this methodology.

Phase-lock-loop application for fiber optic receiver

NASA Technical Reports Server (NTRS)

Ruggles, Stephen L.; Wills, Robert W.

1991-01-01

Phase-locked loop circuits are frequently employed in communication systems. In recent years, digital phase-locked loop circuits were utilized in optical communications systems. In an optical transceiver system, the digital phase-locked loop circuit is connected to the output of the receiver to extract a clock signal from the received coded data (NRZ, Bi-Phase, or Manchester). The clock signal is then used to reconstruct or recover the original data from the coded data. A theoretical approach to the design of a digital phase-locked loop circuit operation at 1 and 50 MHz is described. Hardware implementation of a breadboard design to function at 1 MHz and a printed-circuit board designed to function at 50 MHz were assembled using emitter coupled logic (ECL) to verify experimentally the theoretical design.

An Algebra-Based Introductory Computational Neuroscience Course with Lab.

PubMed

Fink, Christian G

2017-01-01

A course in computational neuroscience has been developed at Ohio Wesleyan University which requires no previous experience with calculus or computer programming, and which exposes students to theoretical models of neural information processing and techniques for analyzing neural data. The exploration of theoretical models of neural processes is conducted in the classroom portion of the course, while data analysis techniques are covered in lab. Students learn to program in MATLAB and are offered the opportunity to conclude the course with a final project in which they explore a topic of their choice within computational neuroscience. Results from a questionnaire administered at the beginning and end of the course indicate significant gains in student facility with core concepts in computational neuroscience, as well as with analysis techniques applied to neural data.

On the methodological, theoretical and philosophical context of health inequalities research: a critique.

PubMed

Forbes, A; Wainwright, S P

2001-09-01

The integration of survey data with psycho-social theories is an important and emerging theme within the field of health inequalities research. This paper critically examines this approach arguing that the respective models of health inequality which these approaches promote, the related concepts of 'social cohesion' and 'social capital' suffer from serious methodological, theoretical and philosophical flaws. The critique draws particular attention to the limitations of survey-derived data and the dangers of using such data to develop complex social explanations for health inequalities. The paper discusses wider epistemological issues which emerge from the critique addressing the fundamental but neglected question of 'what is inequality'? The paper concludes by introducing a structure for questions regarding health inequalities emphasising the need for those question to be attached to real communities.

Development of global model for atmospheric backscatter at CO2 wavelengths

NASA Technical Reports Server (NTRS)

Kent, G. S.; Wang, P. H.; Farrukh, U.; Deepak, A.; Patterson, E. M.

1985-01-01

The improvement of an understanding of the variation of the aerosol backscattering at 10.6 micron within the free troposphere and the development model to describe this was undertaken. The analysis combines theoretical modeling with the results contained within three independent data sets. The data sets are obtained by the SAGE I/SAM II satellite experiments, the GAMETAG flight series and by direct backscatter measurements. The theoretical work includes use of a bimodal, two component aerosol model, and the study of the microphysical and associated optical changes occurring within an aerosol plume. A consistent picture is obtained, which describes the variation of the aerosol backscattering function in the free troposphere with altitude, latitude, and season. Most data are available and greatest consistency is found inside the Northern Hemisphere.

Visualizing Data and the Online FRED Database

ERIC Educational Resources Information Center

Méndez-Carbajo, Diego

2015-01-01

The author discusses a pedagogical strategy based on data visualization and analysis in the teaching of intermediate macroeconomics and financial economics. In these short projects, students collect and manipulate economic data from the online Federal Reserve Economic Database (FRED) in order to illustrate theoretical relationships discussed in…

From "They" Science to "Our" Science: Hip Hop Epistemology in STEAM Education

NASA Astrophysics Data System (ADS)

Dolberry, Maurice E.

Hip hop has moved from being considered a type of music into being understood as a culture in which a prominent type of music originates. Hip hop culture has a philosophy and epistemological constructs as well. This study analyzed those constructs to determine how conceptions of science factor in hip hop worldviews. Pedagogical models in culturally responsive teaching and Science, Technology, Engineering, Arts, and Mathematics (STEAM) education were also examined to discern their philosophical connections with hip hop culture. These connections were used to create two theoretical models. The first one, Hip Hop Science, described how scientific thought functions in hip hop culture. The second model, Hip Hop STEAM Pedagogy, proposes how hip hop culture can inform STEAM teaching practices. The study began by using Critical Race Theory to create a theoretical framework proposing how the two theoretical models could be derived from the philosophical and pedagogical concepts. Content analysis and narrative inquiry were used to analyze data collected from scholarly texts, hip hop songs, and interviews with hip hop-responsive educators. The data from these sources were used initially to assess the adequacy of the proposed theoretical framework, and subsequently to improve its viability. Four overlapping themes emerged from the data analyses, including hip hop-resistance to formal education; how hip hop culture informs pedagogical practice in hip hop-responsive classrooms; conceptions of knowledge and reality that shape how hip hoppers conduct scientific inquiry; and hip hop-based philosophies of effective teaching for hip hoppers as a marginalized cultural group. The findings indicate that there are unique connections between hip hop epistemology, sciencemindedness, and pedagogical practices in STEAM education. The revised theoretical framework clarified the nature of these connections, and supported claims from prior research that hip hop culture provides viable sites of engagement for STEAM educators. It concluded with suggestions for future research that further explicates hip hop epistemology and Hip Hop STEAM Pedagogy.

Single Cell Proteomics in Biomedicine: High-dimensional Data Acquisition, Visualization and Analysis

PubMed Central

Su, Yapeng; Shi, Qihui; Wei, Wei

2017-01-01

New insights on cellular heterogeneity in the last decade provoke the development of a variety of single cell omics tools at a lightning pace. The resultant high-dimensional single cell data generated by these tools require new theoretical approaches and analytical algorithms for effective visualization and interpretation. In this review, we briefly survey the state-of-the-art single cell proteomic tools with a particular focus on data acquisition and quantification, followed by an elaboration of a number of statistical and computational approaches developed to date for dissecting the high-dimensional single cell data. The underlying assumptions, unique features and limitations of the analytical methods with the designated biological questions they seek to answer will be discussed. Particular attention will be given to those information theoretical approaches that are anchored in a set of first principles of physics and can yield detailed (and often surprising) predictions. PMID:28128880

Linking theory with qualitative research through study of stroke caregiving families.

PubMed

Pierce, Linda L; Steiner, Victoria; Cervantez Thompson, Teresa L; Friedemann, Marie-Luise

2014-01-01

This theoretical article outlines the deliberate process of applying a qualitative data analysis method rooted in Friedemann's Framework of Systemic Organization through the study of a web-based education and support intervention for stroke caregiving families. Directed by Friedemann's framework, the analytic method involved developing, refining, and using a coding rubric to explore interactive patterns between caregivers and care recipients from this 3-month feasibility study using this education and support intervention. Specifically, data were gathered from the intervention's web-based discussion component between caregivers and the nurse specialist, as well as from telephone caregiver interviews. A theoretical framework guided the process of developing and refining this coding rubric for the purpose of organizing data; but, more importantly, guided the investigators' thought processes, allowing them to extract rich information from the data set, as well as synthesize this information to generate a broad understanding of the caring situation. © 2013 Association of Rehabilitation Nurses.

Gender Writ Small: Gender Enactments and Gendered Narratives about Lab Organization and Knowledge Transmission in a Biomedical Engineering Research Setting

NASA Astrophysics Data System (ADS)

Malone, Kareen Ror; Nersessian, Nancy J.; Newstetter, Wendy

This article presents qualitative data and offers some innovative theoretical approaches to frame the analysis of gender in science, technology, engineering, and mathematics (STEM) settings. It begins with a theoretical discussion of a discursive approach to gender that captures how gender is lived "on the ground." The authors argue for a less individualistic approach to gender. Data for this research project was gathered from intensive interviews with lab members and ethnographic observations in a biomedical engineering lab. Data analysis relied on a mixed methodology involving qualitative approaches and dialogues with findings from other research traditions. Three themes are highlighted: lab dynamics in relation to issues of critical mass, the division of labor, and knowledge transmission. The data illustrate how gender is created in interactions and is inflected through forms of social organization.

Ethical issues in the reuse of qualitative data: perspectives from literature, practice, and participants.

PubMed

Yardley, Sarah J; Watts, Kate M; Pearson, Jennifer; Richardson, Jane C

2014-01-01

In this article, we explore ethical issues in qualitative secondary analysis through a comparison of the literature with practitioner and participant perspectives. To achieve this, we integrated critical narrative review findings with data from two discussion groups: qualitative researchers and research users/consumers. In the literature, we found that theoretical debate ran parallel to practical action rather than being integrated with it. We identified an important and novel theme of relationships that was emerging from the perspectives of researchers and users. Relationships were significant with respect to trust, sharing data, transparency and clarity, anonymity, permissions, and responsibility. We provide an example of practice development that we hope will prompt researchers to re-examine the issues in their own setting. Informing the research community of research practitioner and user perspectives on ethical issues in the reuse of qualitative data is the first step toward developing mechanisms to better integrate theoretical and empirical work.

Transport relaxation processes in supercritical fluids

NASA Astrophysics Data System (ADS)

Jonas, J.

The technique for solubility measurements of solids in compressed supercritical fluids using NMR and theoretical analysis of experimental data on collision induced scattering were examined. Initial tests for a determination of solid solubilities in supercritical fluids without mixing were previously described and these preparations have continued. Super critical carbon dioxide dissolving naphthalene, for which solubility data is already available (M. McHugh, M.E. Paulaitis, J. Chem. Eng. Data, Vol. 25 (4), 1980) is being studied. This initial testing of the NMR technique for measuring solubilities in a well characterized system should prove very valuable for our later determinations with the proposed mixing probe. Systematic experimental studies of collision induced spectra in several supercritical fluids using both Raman and Rayleigh scattering are continued. The experimental work on SF6 and CH4 was finished and the experimental data testing of the various theoretical models for collision induced scattering is being analyzed.

Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide.

PubMed

Changala, P Bryan; Nguyen, T Lam; Baraban, Joshua H; Ellison, G Barney; Stanton, John F; Bross, David H; Ruscic, Branko

2017-11-22

The adiabatic ionization energy of hydrogen peroxide (HOOH) is investigated, both by means of theoretical calculations and theoretically assisted reanalysis of previous experimental data. Values obtained by three different approaches: 10.638 ± 0.012 eV (purely theoretical determination), 10.649 ± 0.005 eV (reanalysis of photoelectron spectrum), and 10.645 ± 0.010 eV (reanalysis of photoionization spectrum) are in excellent mutual agreement. Further refinement of the latter two values to account for asymmetry of the rotational profile of the photoionization origin band leads to a reduction of 0.007 ± 0.006 eV, which tends to bring them into even closer alignment with the purely theoretical value. Detailed analysis of this fundamental quantity by the Active Thermochemical Tables approach, using the present results and extant literature, gives a final estimate of 10.641 ± 0.006 eV.

Realization of Rectangular Artificial Spin Ice and Direct Observation of High Energy Topology.

PubMed

Ribeiro, I R B; Nascimento, F S; Ferreira, S O; Moura-Melo, W A; Costa, C A R; Borme, J; Freitas, P P; Wysin, G M; de Araujo, C I L; Pereira, A R

2017-10-25

In this work, we have constructed and experimentally investigated frustrated arrays of dipoles forming two-dimensional artificial spin ices with different lattice parameters (rectangular arrays with horizontal and vertical lattice spacings denoted by a and b respectively). Arrays with three different aspect ratios γ = a/b = [Formula: see text], [Formula: see text] and [Formula: see text] are studied. Theoretical calculations of low-energy demagnetized configurations for these same parameters are also presented. Experimental data for demagnetized samples confirm most of the theoretical results. However, the highest energy topology (doubly-charged monopoles) does not emerge in our theoretical model, while they are seen in experiments for large enough γ. Our results also insinuate that the string tension connecting two magnetic monopoles in a pair vanishes in rectangular lattices with a critical ratio γ = γ c  = [Formula: see text], supporting previous theoretical predictions.

The mechanical response of woven Kevlar fabric

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

Warren, W.E.

1991-01-01

Woven Kevlar fabrics exhibit a number of beneficial mechanical properties which include strength, flexibility, and relatively low density. The desire to engineer or design Kevlar fabrics for specific applications has stimulated interest in the development of theoretical models which relate their effective mechanical properties to specific aspects of the fabric morphology and microstructure. In this work the author provides a theoretical investigation of the large deformation elastic response of a plane woven Kevlar fabric and compares these theoretical results with experimental data obtained from uniaxially loaded Kevlar fabrics. The theoretical analysis assumes the woven fabric to be a regular networkmore » of orthogonal interlaced yarns and the individual yarns are modeled as extensible elastica, thus coupling stretching and bending effects at the outset. This comparison of experiment with theory indicates that the deformation of woven fabric can be quite accurately predicted by modeling the individual yarns as extensible elastica. 2 refs., 1 fig.« less

A theoretical study of the electronic transition moment for the C2 Swan band system

NASA Technical Reports Server (NTRS)

Arnold, J. O.; Langhoff, S. R.

1978-01-01

Large-scale self-consistent-field plus configuration-interaction calculations have been performed for the a 3Pi u and d 3Pi g states of C2. The theoretical potential curves are in good agreement with those found by a Klein-Dunham analysis of measured molecular constants in terms of shape and excitation energy. The sum of the squares of the theoretical transition moments between the states at 2.44 bohr is 4.12 a.u. which agrees with the results of shock tube measurements. The variation in the sum of the squares of the theoretical moments with internuclear separation agrees with the values of Danylewych and Nicholls (1974). Based on the data for C2 and mother molecules, it is suggested that CI calculations using near Hartree-Fock quality Slater basis sets produce highly reliable transition moments.

Midwives and the Computerization of Perinatal Data Entry: The Theory of Beneficial Engagement.

PubMed

Craswell, Alison; Moxham, Lorna; Broadbent, Marc

2016-10-01

Theory building in nursing and midwifery both to explain and inform practice is important to advance these professions via provision of a theoretical foundation. This research explored the process of perinatal data entry undertaken by midwives to explore the impact of the movement from paper to computer collection of data. Use of grounded theory methodology enabled theory building, leading to a theoretical understanding of the phenomenon and development of the Theory of Beneficial Engagement grounded in the data. Methods involved in-depth semistructured interviews with 15 users of perinatal data systems. Participants were recruited from 12 different healthcare locations and were utilizing three different electronic systems for data entry. The research question that guided the study focused on examining the influences of using the computer for perinatal data entry. Findings indicated that qualities particular to some midwives denoted engagement with perinatal data entry, suggesting a strong desire to enter complete, timely, and accurate data. The Theory of Beneficial Engagement provides a model of user engagement with systems for perinatal data entry consistent with other theories of engagement. The theory developed describes this phenomenon in a simple, elegant manner that can be applied to other areas where mandatory data entry is undertaken.

Remote sensing of earth terrain

NASA Technical Reports Server (NTRS)

Yueh, Herng-Aung; Kong, Jin AU

1991-01-01

In remote sensing, the encountered geophysical media such as agricultural canopy, forest, snow, or ice are inhomogeneous and contain scatters in a random manner. Furthermore, weather conditions such as fog, mist, or snow cover can intervene the electromagnetic observation of the remotely sensed media. In the modelling of such media accounting for the weather effects, a multi-layer random medium model has been developed. The scattering effects of the random media are described by three-dimensional correlation functions with variances and correlation lengths corresponding to the fluctuation strengths and the physical geometry of the inhomogeneities, respectively. With proper consideration of the dyadic Green's function and its singularities, the strong fluctuation theory is used to calculate the effective permittivities which account for the modification of the wave speed and attenuation in the presence of the scatters. The distorted Born approximation is then applied to obtain the correlations of the scattered fields. From the correlation of the scattered field, calculated is the complete set of scattering coefficients for polarimetric radar observation or brightness temperature in passive radiometer applications. In the remote sensing of terrestrial ecosystems, the development of microwave remote sensing technology and the potential of SAR to measure vegetation structure and biomass have increased effort to conduct experimental and theoretical researches on the interactions between microwave and vegetation canopies. The overall objective is to develop inversion algorithms to retrieve biophysical parameters from radar data. In this perspective, theoretical models and experimental data are methodically interconnected in the following manner: Due to the complexity of the interactions involved, all theoretical models have limited domains of validity; the proposed solution is to use theoretical models, which is validated by experiments, to establish the region in which the radar response is most sensitive to the parameters of interest; theoretically simulated data will be used to generate simple invertible models over the region. For applications to the remote sensing of sea ice, the developed theoretical models need to be tested with experimental measurements. With measured ground truth such as ice thickness, temperature, salinity, and structure, input parameters to the theoretical models can be obtained to calculate the polarimetric scattering coefficients for radars or brightness temperature for radiometers and then compare theoretical results with experimental data. Validated models will play an important role in the interpretation and classification of ice in monitoring global ice cover from space borne remote sensors in the future. We present an inversion algorithm based on a recently developed inversion method referred to as the Renormalized Source-Type Integral Equation approach. The objective of this method is to overcome some of the limitations and difficulties of the iterative Born technique. It recasts the inversion, which is nonlinear in nature, in terms of the solution of a set of linear equations; however, the final inversion equation is still nonlinear. The derived inversion equation is an exact equation which sums up the iterative Neuman (or Born) series in a closed form and, thus, is a valid representation even in the case when the Born series diverges; hence, the name Renormalized Source-Type Integral Equation Approach.

Nurse characteristics, leadership, safety climate, emotional labour and intention to stay for nurses: a structural equation modelling approach.

PubMed

Liang, Hui-Yu; Tang, Fu-In; Wang, Tze-Fang; Lin, Kai-Ching; Yu, Shu

2016-12-01

The aim of this study was to propose a theoretical model and apply it to examine the structural relationships among nurse characteristics, leadership characteristics, safety climate, emotional labour and intention to stay for hospital nurses. Global nursing shortages negatively affect the quality of care. The shortages can be reduced by retaining nurses. Few studies have independently examined the relationships among leadership, safety climate, emotional labour and nurses' intention to stay; more comprehensive theoretical foundations for examining nurses' intention to stay and its related factors are lacking. Cross-sectional. A purposive sample of 414 full-time nurses was recruited from two regional hospitals in Taiwan. A structured questionnaire was used to collect data from November 2013-June 2014. Structural equation modelling was employed to test the theoretical models of the relationships among the constructs. Our data supported the theoretical model. Intention to stay was positively correlated with age and the safety climate, whereas working hours per week and emotional labour were negatively correlated. The nursing position and transformational leadership indirectly affected intention to stay; this effect was mediated separately by emotional labour and the safety climate. Our data supported the model fit. Our findings provide practical implications for healthcare organizations and administrators to increase nurses' intent to stay. Strategies including a safer climate, appropriate working hours and lower emotional labour can directly increase nurses' intent to stay. Transformational leadership did not directly influence nurses' intention to stay; however, it reduced emotional labour, thereby increasing intention to stay. © 2016 John Wiley & Sons Ltd.

Energy-gap reduction in heavily doped silicon: Causes and consequences

NASA Astrophysics Data System (ADS)

Pantelides, Sokrates T.; Selloni, Annabella; Car, Roberto

1985-02-01

The authors review briefly the existing theoretical treatments of the various effects that contribute to the reduction of the energy gap in heavily doped Si, namely electron-electron and electron-impurity interactions and the effect of disorder in the impurity distribution. They then turn to the longstanding question why energy-gap reductions extracted from three different types of experiments have persistently produced values with substantial discrepancies, making it impossible to compare with theoretical values. First, they demonstrate that a meaningful comparison between theory and experiment can indeed be made if theoretical calculations are carried out for actual quantities that experiments measure, e.g. luminescence spectra, as recently done by Selloni and Pantelides. Then, they demonstrate that, independent of any theoretical calculations, the optical absorption spectra are fully consistent with the luminescence spectra and that the discrepancies in the energy-gap reductions extracted from the two sets of spectra are caused entirely by the curve-fitting procedures used in analyzing optical-absorption data. Finally, they show explicitly that, as already believed by many authors, energy-gap reductions extracted from electrical measurements on transistors do not correspond to true gap reductions. They identify two corrections that must be added to the values extracted from the electrical data in order to arrive at the true gap reductions and show that the resulting values are in good overall agreement with luminescence and absorption data. They, therefore, demonstrate that the observed reduction in emitter injection efficiency in bipolar transistors is not strictly due to a gap reduction, as generally believed, but to three very different effects.

On building methodological and theoretical frameworks to examine the interrelationships between environmental change and armed conflict

NASA Astrophysics Data System (ADS)

Van Den Hoek, J.

2014-12-01

Relationships between environmental change and armed conflict have long been studied. Sometimes referred to as 'warfare' or 'conflict' ecology, much of this scholarship has come in response to local-level perceptions of landscape or livelihood changes that result from regional armed conflict. However, such studies have, first, typically focused on spatiotemporally acute and readily detectable environmental change, like deforestation, to the exclusion of protracted and more subtle environmental changes, like agricultural degradation; second, been limited to situational conflicts or circumstances, thereby inhibiting broader theoretical development; and, third, often only considered the environmental consequences rather than the environmental or climatic circumstances that may contribute to conflict. As a result, there is little opportunity for methodological or theoretical cohesion between studies. In this presentation, I synthesize findings from three case studies examining the interrelationships between agricultural change and armed conflict in the semi-arid landscapes of northwest Pakistan, Palestine, and southern Syria. Using coarse through very high resolution remotely sensed imagery, socio-economic and demographic data, conflict databases, open-source programming, and building on theoretical underpinnings of political ecology and conflict studies, I present methods and modeling approaches that aid in overcoming data scarcity and disparity between scales of analysis and integrate environmental and conflict data in spatiotemporally explicit ways. Results from these case studies illuminate the interrelationships between both protracted and acute agricultural change and armed conflict, and have broad relevance for understanding the means by which environment, conflict, and livelihoods are linked, a nexus that will only become tighter with the advance of global climate change.

Loss of life expectancy derived from a standardized mortality ratio in Denmark, Finland, Norway and Sweden.

PubMed

Skriver, Mette Vinther; Væth, Michael; Støvring, Henrik

2018-01-01

The standardized mortality ratio (SMR) is a widely used measure. A recent methodological study provided an accurate approximate relationship between an SMR and difference in lifetime expectancies. This study examines the usefulness of the theoretical relationship, when comparing historic mortality data in four Scandinavian populations. For Denmark, Finland, Norway and Sweden, data on mortality every fifth year in the period 1950 to 2010 were obtained. Using 1980 as the reference year, SMRs and difference in life expectancy were calculated. The assumptions behind the theoretical relationship were examined graphically. The theoretical relationship predicts a linear association with a slope, [Formula: see text], between log(SMR) and difference in life expectancies, and the theoretical prediction and calculated differences in lifetime expectancies were compared. We examined the linear association both for life expectancy at birth and at age 30. All analyses were done for females, males and the total population. The approximate relationship provided accurate predictions of actual differences in lifetime expectancies. The accuracy of the predictions was better when age was restricted to above 30, and improved if the changes in mortality rate were close to a proportional change. Slopes of the linear relationship were generally around 9 for females and 10 for males. The theoretically derived relationship between SMR and difference in life expectancies provides an accurate prediction for comparing populations with approximately proportional differences in mortality, and was relatively robust. The relationship may provide a useful prediction of differences in lifetime expectancies, which can be more readily communicated and understood.

Flexible bent rod model with a saturating induced dipole moment to study the electric linear dichroism of DNA fragments

NASA Astrophysics Data System (ADS)

Bertolotto, Jorge A.; Umazano, Juan P.

2016-06-01

In the present work we make a theoretical study of the steady state electric linear dichroism of DNA fragments in aqueous solution. The here developed theoretical approach considers a flexible bent rod model with a saturating induced dipole moment. The electric polarizability tensor of bent DNA fragments is calculated considering a phenomenological model which theoretical and experimental backgroung is presented here. The model has into account the electric polarizability longitudinal and transversal to the macroion. Molecular flexibility is described using an elastic potential. We consider DNA fragments originally bent with bending fluctuations around an average bending angle. The induced dipole moment is supposed constant once the electric field strength grows up at critical value. To calculate the reduced electric linear dichroism we determine the optical factor considering the basis of the bent DNA perpendicular to the molecular axis. The orientational distribution function has into account the anisotropic electric properties and the molecule flexibility. We applied the present theoretical background to fit electric dichroism experimental data of DNA fragments reported in the bibliography in a wide range of molecular weight and electric field. From these fits, values of DNA physical properties are estimated. We compare and discuss the results here obtained with the theoretical and experimental data presented by other authors. The original contributions of this work are: the inclusion of the transversal electric polarizability saturating with the electric field, the description of the electric properties with an electric polarizability tensor dependant on the bending angle and the use of an arc model originally bent.

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

PubMed

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

2018-07-01

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

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

Blomberg, Adam

Non-spherical components of the nucleon wave function are measured through p(e,e'p)π 0 experiment at the Δ +(1232) resonance for Q 2 = 0.04, 0.09, and 0.13 (GeV=c) 2 utilizing the Jefferson National Accelerator Facility (JLab) pulsed beam and Hall A spectrometers. The new data extend the measurements of the Coulomb quadrupole amplitude to the lowest momentum transfer ever reached. The results disagree with predictions of constituent quark models and are in reasonable agreement with dynamical calculations that include pion cloud effects, chiral effective field theory and lattice calculations. The reported measurements indicate that improvement is required to the theoretical calculationsmore » and provide valuable input that will allow their refinements. The Coulomb to magnetic multipole ratio (CMR) and generalized polarizability (GP) of the nucleon are also measured through virtual Compton scattering (VCS) for Q 2 = 0.2(GeV=c) 2 utilizing the Mainz Microtron (MAMI) continuous beam and A1 spectrometers. This data represents the first low Q 2 GP measurement at the Δ +(1232) resonance. The GP measurement explores a region where previous data and theoretical calculations disagree. The CMR measurement will be the first VCS extraction to compare with world data generated through pion electroproduction. The Dispersion Relation (DR) model used for the VCS extraction provides a new theoretical framework for the data signal and backgrounds that is largely independent from the pion electroproduction models. The independence of the DR from the traditional models provides a strong crosscheck on the ability of the models to isolate the data signal.« less

Experimental measurements with Monte Carlo corrections and theoretical calculations of neutron inelastic scattering cross section of 115In

NASA Astrophysics Data System (ADS)

Wang, Chao; Xiao, Jun; Luo, Xiaobing

2016-10-01

The neutron inelastic scattering cross section of 115In has been measured by the activation technique at neutron energies of 2.95, 3.94, and 5.24 MeV with the neutron capture cross sections of 197Au as an internal standard. The effects of multiple scattering and flux attenuation were corrected using the Monte Carlo code GEANT4. Based on the experimental values, the 115In neutron inelastic scattering cross sections data were theoretically calculated between the 1 and 15 MeV with the TALYS software code, the theoretical results of this study are in reasonable agreement with the available experimental results.

Structural characterisation of some vanillic Mannich bases: Experimental and theoretical study

NASA Astrophysics Data System (ADS)

Petrović, Vladimir P.; Simijonović, Dušica; Novaković, Sladjana B.; Bogdanović, Goran A.; Marković, Svetlana; Petrović, Zorica D.

2015-10-01

In this paper, synthesis and structural determination of 2-[1-(N-4-fluorophenylamino)-1-(4-hydroxy-3-methoxyphenyl)]methylcyclohexanone (MB-F) is presented. To determine the structure of this new compound, IR and NMR spectral characterisation was performed experimentally and theoretically. Simulation of spectral data was carried out using three functionals: B3LYP, B3LYP-D2, and M06-2X. The results obtained for MB-F were compared to those attained for similar, known compound 2-[1-(N-phenylamino)-1-(4-hydroxy-3-methoxyphenyl)]methylcyclohexanone (MB-H), whose crystal structure is presented here. Taking into account all experimental and theoretical findings, the structure of MB-F was proposed.

Theoretical and experimental study of a fiber optic microphone

NASA Technical Reports Server (NTRS)

Hu, Andong; Cuomo, Frank W.; Zuckerwar, Allan J.

1992-01-01

Modifications to condenser microphone theory yield new expressions for the membrane deflections at its center, which provide the basic theory for the fiber optic microphone. The theoretical analysis for the membrane amplitude and the phase response of the fiber optic microphone is given in detail in terms of its basic geometrical quantities. A relevant extension to the original concepts of the optical microphone includes the addition of a backplate with holes similar in design to present condenser microphone technology. This approach generates improved damping characteristics and extended frequency response that were not previously considered. The construction and testing of the improved optical fiber microphone provide experimental data that are in good agreement with the theoretical analysis.

Generalised Central Limit Theorems for Growth Rate Distribution of Complex Systems

NASA Astrophysics Data System (ADS)

Takayasu, Misako; Watanabe, Hayafumi; Takayasu, Hideki

2014-04-01

We introduce a solvable model of randomly growing systems consisting of many independent subunits. Scaling relations and growth rate distributions in the limit of infinite subunits are analysed theoretically. Various types of scaling properties and distributions reported for growth rates of complex systems in a variety of fields can be derived from this basic physical model. Statistical data of growth rates for about 1 million business firms are analysed as a real-world example of randomly growing systems. Not only are the scaling relations consistent with the theoretical solution, but the entire functional form of the growth rate distribution is fitted with a theoretical distribution that has a power-law tail.

Leaving No Stone Unturned in the Pursuit of New Physics

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

Cohen, Timothy

The major goal of this project was to investigate a variety of topics in theoretical particle physics, with an emphasis on beyond the Standard Model phenomena. A particular emphasis is placed on making a connection to ongoing experimental efforts designed to extend our knowledge of the fundamental physics frontiers. The principal investigator aimed to play a leading role in theoretical research that complements this impressive experimental endeavor. Progress requires a strong synergy between the theoretical and experimental communities to design and interpret the data that is produced. Thus, this project's main goal was to improve our understanding of models, signatures,more » and techniques as we continue the hunt for new physics.« less

Amplitude spectrum modulation technique for analog data processing in fiber optic sensing system with temporal separation of channels

NASA Technical Reports Server (NTRS)

Adamovsky, Grigory

1988-01-01

A novel technique to analyze analog data in fiber optic sensing systems with temporal separation of channels is proposed. A theoretical explanation of the process is presented and an experimental setup that was used to obtain data is described.

Organizing Data in Tables and Charts: Different Criteria for Different Tasks

ERIC Educational Resources Information Center

Miller, Jane E.

2007-01-01

Tables and charts are efficient tools for organizing numbers, but many people give little consideration to the order in which they present the data. This article illustrates the strengths and weaknesses of four criteria for organizing data--empirical, theoretical, alphabetical and a standardized reporting scheme.

Data layer integration for the national map of the united states

USGS Publications Warehouse

Usery, E.L.; Finn, M.P.; Starbuck, M.

2009-01-01

The integration of geographic data layers in multiple raster and vector formats, from many different organizations and at a variety of resolutions and scales, is a significant problem for The National Map of the United States being developed by the U.S. Geological Survey. Our research has examined data integration from a layer-based approach for five of The National Map data layers: digital orthoimages, elevation, land cover, hydrography, and transportation. An empirical approach has included visual assessment by a set of respondents with statistical analysis to establish the meaning of various types of integration. A separate theoretical approach with established hypotheses tested against actual data sets has resulted in an automated procedure for integration of specific layers and is being tested. The empirical analysis has established resolution bounds on meanings of integration with raster datasets and distance bounds for vector data. The theoretical approach has used a combination of theories on cartographic transformation and generalization, such as T??pfer's radical law, and additional research concerning optimum viewing scales for digital images to establish a set of guiding principles for integrating data of different resolutions.

Context-Aware Generative Adversarial Privacy

NASA Astrophysics Data System (ADS)

Huang, Chong; Kairouz, Peter; Chen, Xiao; Sankar, Lalitha; Rajagopal, Ram

2017-12-01

Preserving the utility of published datasets while simultaneously providing provable privacy guarantees is a well-known challenge. On the one hand, context-free privacy solutions, such as differential privacy, provide strong privacy guarantees, but often lead to a significant reduction in utility. On the other hand, context-aware privacy solutions, such as information theoretic privacy, achieve an improved privacy-utility tradeoff, but assume that the data holder has access to dataset statistics. We circumvent these limitations by introducing a novel context-aware privacy framework called generative adversarial privacy (GAP). GAP leverages recent advancements in generative adversarial networks (GANs) to allow the data holder to learn privatization schemes from the dataset itself. Under GAP, learning the privacy mechanism is formulated as a constrained minimax game between two players: a privatizer that sanitizes the dataset in a way that limits the risk of inference attacks on the individuals' private variables, and an adversary that tries to infer the private variables from the sanitized dataset. To evaluate GAP's performance, we investigate two simple (yet canonical) statistical dataset models: (a) the binary data model, and (b) the binary Gaussian mixture model. For both models, we derive game-theoretically optimal minimax privacy mechanisms, and show that the privacy mechanisms learned from data (in a generative adversarial fashion) match the theoretically optimal ones. This demonstrates that our framework can be easily applied in practice, even in the absence of dataset statistics.

[Activities of the Department of Electrical Engineering, Howard University

NASA Technical Reports Server (NTRS)

Yalamanchili, Raj C.

1997-01-01

Theoretical derivations, computer analysis and test data are provided to demonstrate that the cavity model is a feasible one to analyze thin-substrate, rectangular-patch microstrip antennas. Seven separate antennas were tested. Most of the antennas were designed to resonate at L-band frequencies (1-2 GHz). One antenna was designed to resonate at an S-band (2-4 GHz) frequency of 2.025 GHz. All dielectric substrates were made of Duroid, and were of varying thicknesses and relative dielectric constant values. Theoretical derivations to calculate radiated free space electromagnetic fields and antenna input impedance were performed. MATHEMATICA 2.2 software was used to generate Smith Chart input impedance plots, normalized relative power radiation plots and to perform other numerical manipulations. Network Analyzer tests were used to verify the data from the computer programming (such as input impedance and VSWR). Finally, tests were performed in an anechoic chamber to measure receive-mode polar power patterns in the E and H planes. Agreement between computer analysis and test data is presented. The antenna with the thickest substrate (e(sub r) = 2.33,62 mils thick) showed the worst match to theoretical impedance data. This is anticipated due to the fact that the cavity model generally loses accuracy when the dielectric substrate thickness exceeds 5% of the antenna's free space wavelength. A method of reducing computer execution time for impedance calculations is also presented.

Water is a poor solvent for densely grafted poly(ethylene oxide) chains: a conclusion drawn from a self-consistent field theory-based analysis of neutron reflectivity and surface pressure-area isotherm data.

PubMed

Lee, Hoyoung; Kim, Dae Hwan; Witte, Kevin N; Ohn, Kimberly; Choi, Je; Akgun, Bulent; Satija, Sushil; Won, You-Yeon

2012-06-21

By use of a combined experimental and theoretical approach, a model poly(ethylene oxide) (PEO) brush system, prepared by spreading a poly(ethylene oxide)-poly(n-butyl acrylate) (PEO-PnBA) amphiphilic diblock copolymer onto an air-water interface, was investigated. The polymer segment density profiles of the PEO brush in the direction normal to the air-water interface under various grafting density conditions were determined by using the neutron reflectivity (NR) measurement technique. To achieve a theoretically sound analysis of the reflectivity data, we used a data analysis method that utilizes the self-consistent field (SCF) theoretical modeling as a tool for predicting expected reflectivity results for comparison with the experimental data. Using this data analysis technique, we discovered that the effective Flory-Huggins interaction parameter of the PEO brush chains is significantly greater than that corresponding to the θ condition in Flory-Huggins solutions (i.e., χ(PEO-water)(brush chains)/χ(PEO-water)(θ condition) ≈ 1.2), suggesting that contrary to what is more commonly observed for PEO in normal situations (χ(PEO-water)(free chains)/χ(PEO-water)(θ condition) ≈ 0.92), the PEO chains are actually not "hydrophilic" when they exist as polymer brush chains, because of the many body interactions that are forced to be effective in the brush situation. This result is further supported by the fact that the surface pressures of the PEO brush calculated on the basis of the measured χ(PEO-water) value are in close agreement with the experimental surface pressure-area isotherm data. The SCF theoretical analysis of the surface pressure behavior of the PEO brush also suggests that even though the grafted PEO chains experience a poor solvent environment, the PEO brush layer exhibits positive surface pressures, because the hydrophobicity of the PEO brush chains (which favors compression) is insufficient to overcome the opposing effect of the chain conformational entropy (which resists compression).

Measurements of Solar Vector Magnetic Fields

NASA Technical Reports Server (NTRS)

Hagyard, M. J. (Editor)

1985-01-01

Various aspects of the measurement of solar magnetic fields are presented. The four major subdivisions of the study are: (1) theoretical understanding of solar vector magnetic fields; (3) techniques for interpretation of observational data; and (4) techniques for data display.

Processable English: The Theory Behind the PENG System

DTIC Science & Technology

2009-06-01

implicit - is often buried amongst masses of irrelevant data. Heralding from unstructured sources such as natural language documents, email, audio ...estimation and prediction, data-mining, social network analysis, and semantic search and visualisation . This report describes the theoretical

Multiplexed Holographic Optical Data Storage In Thick Bacteriorhodopsin Films

NASA Technical Reports Server (NTRS)

Downie, John D.; Timucin, Dogan A.; Gary, Charles K.; Ozcan, Meric; Smithey, Daniel T.; Crew, Marshall

1998-01-01

The optical data storage capacity of photochromic bacteriorhodopsin films is investigated by means of theoretical calculations, numerical simulations, and experimental measurements on sequential recording of angularly multiplexed diffraction gratings inside a thick D85N BR film.

National Bureau Of Standards Data Base Of Photon Absorption Cross Sections From 10 eV To 100 deV

NASA Astrophysics Data System (ADS)

Saloman, E. B.; Hubbell, J. H.; Berger, M. J.

1988-07-01

The National Bureau of Standards (NBS) has maintained a data base of experimental and theoretical photon absorption cross sections (attenuation coefficients) since 1950. Currently the measured data include more than 20,000 data points abstracted from more than 500 independen.t literature sources including both published and unpublished reports and private communications. We have recently completed a systematic comparison over the energy range 0.1-100 keV of the measured cross sections in the NBS data base with cross sections obtained using the photoionization cross sections calculated by Scofield and the semi-empirical set of recommended photoionization cross section values of Henke et al. Cross sections for coherent and incoherent scattering were added to that of photoionization to obtain a value which could be compared to the experimental results. At energies above 1 keV, agreement between theory and experiment is rather good except for some special situations which prevent the accurate description of the measured samples as free atoms. These include molecular effects near absorption edges and solid state and crystal effects (such as for silicon). Below 1 keV the comparison indicates the range of atomic numbers and energies where the theory becomes inapplicable. The results obtained using Henke et al. agree well with the measured data when such data exist, but there are many elements for which data are not available over a wide range of energies. Comparisons with other theoretical data are in progress. This study also enabled us to show that a suggested renormalization procedure to the Scofield calculation (from dartree-Slater to Hartree-Fock) worsened the agreement between the theory and experiment. We have recently developed a PC-based computer program to generate theoretical cross section values based on Scofield's calculation. We have also completed a related program to enable a user to extract selected data from the measured data base.

A mobile application to support collection and analytics of real-time critical care data.

PubMed

Vankipuram, Akshay; Vankipuram, Mithra; Ghaemmaghami, Vafa; Patel, Vimla L

2017-11-01

Data collection, in high intensity environments, poses several challenges including the ability to observe multiple streams of information. These problems are especially evident in critical care, where monitoring of the Advanced Trauma Life Support (ATLS) protocol provides an excellent opportunity to study the efficacy of applications that allow for the rapid capture of event information, providing theoretically-driven feedback using the data. Our goal was, (a) to design and implement a way to capture data on deviation from the standard practice based on the theoretical foundation of error classification from our past research, (b) to provide a means to meaningfully visualize the collected data, and (c) to provide a proof-of-concept for this implementation, using some understanding of user experience in clinical practice. We present the design and development of a web application designed to be used primarily on mobile devices and a summary data viewer to allow clinicians to, (a) track their activities, (b) provide real-time feedback of deviations from guidelines and protocols, and (c) provide summary feedback highlighting decisions made. We used a framework previously developed to classify activities in trauma as the theoretical foundation of the rules designed to do the same algorithmically, in our application. Attending physicians at a Level 1 trauma center used the application in the clinical setting and provided feedback for iterative development. Informal interviews and surveys were used to gain some deeper understanding of the user experience using this application in-situ. Activity visualizations were created highlighting decisions made during a trauma code as well as classification of tasks per the theoretical framework. The attendings reviewed the efficacy of the data visualizations as part of their interviews. We also conducted a proof-of-concept evaluation by way of usability questionnaire. Two attendings rated 4 out of the usability 6 categories highly (inter-rater reliability: R = 0.87; weighted kappa = 0.59). This could be attributed to the fact that they were able to fit the use of the application into their regular workflow during a trauma code relatively seamlessly. A deeper evaluation is required to answer explain this further. Our application can be used to capture and present data to provide an accurate reflection of work activities in real-time in complex critical care environments, without any significant interruptions to workflow. Copyright © 2017 Elsevier B.V. All rights reserved.

Efficient waveform tomography for lithospheric imaging: implications for realistic, two-dimensional acquisition geometries and low-frequency data

NASA Astrophysics Data System (ADS)

Brenders, A. J.; Pratt, R. G.

2007-01-01

We provide a series of numerical experiments designed to test waveform tomography under (i) a reduction in the number of input data frequency components (`efficient' waveform tomography), (ii) sparse spatial subsampling of the input data and (iii) an increase in the minimum data frequency used. These results extend the waveform tomography results of a companion paper, using the same third-party, 2-D, wide-angle, synthetic viscoelastic seismic data, computed in a crustal geology model 250 km long and 40 km deep, with heterogeneous P-velocity, S-velocity, density and Q-factor structure. Accurate velocity models were obtained using efficient waveform tomography and only four carefully selected frequency components of the input data: 0.8, 1.7, 3.6 and 7.0 Hz. This strategy avoids the spectral redundancy present in `full' waveform tomography, and yields results that are comparable with those in the companion paper for an 88 per cent decrease in total computational cost. Because we use acoustic waveform tomography, the results further justify the use of the acoustic wave equation in calculating P-wave velocity models from viscoelastic data. The effect of using sparse survey geometries with efficient waveform tomography were investigated for both increased receiver spacing, and increased source spacing. Sampling theory formally requires spatial sampling at maximum interval of one half-wavelength (2.5 km at 0.8 Hz): For data with receivers every 0.9 km (conforming to this criterion), artefacts in the tomographic images were still minimal when the source spacing was as large as 7.6 km (three times the theoretical maximum). Larger source spacings led to an unacceptable degradation of the results. When increasing the starting frequency, image quality was progressively degraded. Acceptable image quality within the central portion of the model was nevertheless achieved using starting frequencies up to 3.0 Hz. At 3.0 Hz the maximum theoretical sample interval is reduced to 0.67 km due to the decreased wavelengths; the available sources were spaced every 5.0 km (more than seven times the theoretical maximum), and receivers were spaced every 0.9 km (1.3 times the theoretical maximum). Higher starting frequencies than 3.0 Hz again led to unacceptable degradation of the results.

Photodisintegration cross section of the reaction (4)He(γ,p)(3)H between 22 and 30 MeV.

PubMed

Raut, R; Tornow, W; Ahmed, M W; Crowell, A S; Kelley, J H; Rusev, G; Stave, S C; Tonchev, A P

2012-01-27

The two-body photodisintegration cross section of (4)He into a proton and triton was measured with monoenergetic photon beams in 0.5 MeV energy steps between 22 and 30 MeV. High-pressure (4)He-Xe gas scintillators of various (4)He/Xe ratios served as targets and detectors. Pure Xe gas scintillators were used for background studies. A NaI detector together with a plastic scintillator paddle was employed for determining the incident photon flux. Our comprehensive data set follows the trend of the theoretical calculations of the Trento group very well, although our data are consistently lower in magnitude by about 5%. However, they differ significantly from the majority of the previous data, especially from the recent data of Shima et al. The latter data had put into question the validity of theoretical approaches used to calculate core-collapse supernova explosions and big-bang nucleosynthesis abundances of certain light nuclei.

Discrete Choice Experiments: A Guide to Model Specification, Estimation and Software.

PubMed

Lancsar, Emily; Fiebig, Denzil G; Hole, Arne Risa

2017-07-01

We provide a user guide on the analysis of data (including best-worst and best-best data) generated from discrete-choice experiments (DCEs), comprising a theoretical review of the main choice models followed by practical advice on estimation and post-estimation. We also provide a review of standard software. In providing this guide, we endeavour to not only provide guidance on choice modelling but to do so in a way that provides a 'way in' for researchers to the practicalities of data analysis. We argue that choice of modelling approach depends on the research questions, study design and constraints in terms of quality/quantity of data and that decisions made in relation to analysis of choice data are often interdependent rather than sequential. Given the core theory and estimation of choice models is common across settings, we expect the theoretical and practical content of this paper to be useful to researchers not only within but also beyond health economics.

Ideal discrimination of discrete clinical endpoints using multilocus genotypes.

PubMed

Hahn, Lance W; Moore, Jason H

2004-01-01

Multifactor Dimensionality Reduction (MDR) is a method for the classification and prediction of discrete clinical endpoints using attributes constructed from multilocus genotype data. Empirical studies with both real and simulated data suggest that MDR has good power for detecting gene-gene interactions in the absence of independent main effects. The purpose of this study is to develop an objective, theory-driven approach to evaluate the strengths and limitations of MDR. To accomplish this goal, we borrow concepts from ideal observer analysis used in visual perception to evaluate the theoretical limits of classifying and predicting discrete clinical endpoints using multilocus genotype data. We conclude that MDR ideally discriminates between low risk and high risk subjects using attributes constructed from multilocus genotype data. We also how that the classification approach used once a multilocus attribute is constructed is similar to that of a naive Bayes classifier. This study provides a theoretical foundation for the continued development, evaluation, and application of the MDR as a data mining tool in the domain of statistical genetics and genetic epidemiology.

Impact of a Tutored Theoretical-Practical Training to Develop Undergraduate Students’ Skills for the Detection of Caries Lesions: Study Protocol for a Multicenter Controlled Randomized Study

PubMed Central

Ferreira, Fernanda Rosche; Mendes, Fausto Medeiros; Raggio, Daniela Prócida; Imparato, José Carlos; Bonecker, Marcelo; Magalhães, Ana Carolina; Wang, Linda; Rios, Daniela; Pessan, Juliano Pelim; Duque, Cristiane; Rebelo, Maria Augusta Bessa; Alves Filho, Ary Oliveira; Lima, Marina De Deus Moura; Moura, Marcoeli Silva; De Carli, Alessandro Diogo; Sanabe, Mariane Emi; Cenci, Maximiliano Sergio; Oliveira, Elenara Ferreira; Correa, Marcos Britto; Rocha, Rachel Oliveira; Zenkner, Julio Eduardo; Murisí, Pedroza Uribe; Martignon, Stefania; Lara, Juan Sebastian; Aquino, Fatima Gabriela; Carrillo, Alfredo; Chu, Chun Hung; Deery, Chris; Ricketts, David; Melo, Paulo; Antunes, José Leopoldo Ferreira; Ekstrand, Kim Rud

2017-01-01

Background Tutored laboratorial activities could be a manner of improving the competency development of students. However, its impact over conventional theoretical classes has not yet been tested. Additionally, different university contexts could influence this issue and should be explored. Objective To assess the impact of a tutored theoretical-practical training for teaching undergraduate students to detect caries lesions as compared with theoretical teaching activities. The impact of these teaching/learning activities will be assessed in terms of efficacy, cost/benefit, retention of knowledge/acquired competences, and student acceptability. Methods Sixteen centers (7 centers from Brazil and 9 centers from other countries throughout the world) are involved in the inclusion of subjects for this protocol. A randomized controlled study with parallel groups will be conducted. One group (control) will be exposed to a 60- to 90-minute conventional theoretical class and the other group (test) will be exposed to the same theoretical class and also a 90-minute laboratory class, including exercises and discussions based on the evaluation of a pool of images and extracted teeth. The mentioned outcomes will be evaluated immediately after the teaching activities and also in medium- and long-term analyses. To compare the long-term outcomes, students who enrolled in the university before the participating students will be interviewed for data collection and these data will be used as a control and compared with the trained group. This stage will be a nonrandomized phase of this study, nested in the main study. Appropriate statistical analysis will be performed according to the aims of this study. Variables related to the centers will also be analyzed and used to model adjustment as possible sources of variability among results. Results This ongoing study is funded by a Brazilian national funding agency (CNPq- 400736/2014-4). We expect that the tutored theoretical-practical training will improve the undergraduate students’ performance in the detection of caries lesions and subsequent treatment decisions, mainly in terms of long-term retention of knowledge. Our hypothesis is that tutored theoretical-practical training is a more cost-effective option for teaching undergraduate students to detect caries lesions. Conclusions If our hypothesis is confirmed, the use of laboratory training in conjunction with theoretical classes could be used as an educational strategy in Cariology to improve the development of undergraduate students’ skills in the detection of caries lesions and clinical decision-making. PMID:28814381

The formation of galaxies

NASA Technical Reports Server (NTRS)

Efstathiou, G.; Silk, J.

1983-01-01

Current models of galaxy formation are examined in a review of recent observational and theoretical studies. Observational data on elliptical galaxies, disk galaxies, luminosity functions, clustering, and angular fluctuations in the cosmic microwave background are summarized. Theoretical aspects discussed include the origin and early evolution of small fluctuations, matter and radiation fluctuations, the formation of large-scale structure, dissipationless galaxy formation, galaxy mergers, dissipational galaxy formation, and the implications of particle physics (GUTs, massive neutrinos, and gravitinos) for cosmology.

Theoretical and experimental studies of space-related plasma wave propagation and resonance phenomena

NASA Technical Reports Server (NTRS)

Crawford, F. W.

1975-01-01

A ten year summary was given of university research on the nature and characteristics of space related plasma resonance phenomena, whistler propagation in laboratory plasmas, and theoretical and experimental studies of plasma wave propagation. Data are also given on long delayed echoes, low frequency instabilities, ionospheric heating, and backscatter, and pulse propagation. A list is included of all conference papers, publications, and reports resulting from the study.

A review of depolarization modeling for earth-space radio paths at frequencies above 10 GHz

NASA Technical Reports Server (NTRS)

Bostian, C. W.; Stutzman, W. L.; Gaines, J. M.

1982-01-01

A review is presented of models for the depolarization, caused by scattering from raindrops and ice crystals, that limits the performance of dual-polarized satellite communication systems at frequencies above 10 GHz. The physical mechanisms of depolarization as well as theoretical formulations and empirical data are examined. Three theoretical models, the transmission, attenuation-derived, and scaling models, are described and their relative merits are considered.

Unification of Theoretical Models of Academic Self-Concept/Achievement Relations: Reunification of East and West German School Systems after the Fall of the Berlin Wall

ERIC Educational Resources Information Center

Marsh, Herbert W.; Koller, Olaf

2004-01-01

Longitudinal data (five waves) from large cohorts of 7th grade students in East Germany ("n"=2,119) and West Germany ("n"=1,928) were collected from the start of the reunification of the school systems following the fall of the Berlin Wall. Here we integrate the two major theoretical models of relations between academic…

Polarimetric Intensity Parameterization of Radar and Other Remote Sensing Sources for Advanced Exploitation and Data Fusion: Theory

DTIC Science & Technology

2008-10-01

is theoretically similar to the concept of “partial or compact polarimetry”, yields comparable results to full or quadrature-polarized systems by...to the emerging “compact polarimetry” methodology [9]-[13] that exploits scattering system response to an incomplete set of input EM field components...a scattering operator or matrix. Although as theoretically discussed earlier, performance of such fully-polarized radar system (i.e., quadrature

Observing the epoch of galaxy formation

PubMed Central

Steidel, Charles C.

1999-01-01

Significant observational progress in addressing the question of the origin and early evolution of galaxies has been made in the past few years, allowing for direct comparison of the epoch when most of the stars in the universe were forming to prevailing theoretical models. There is currently broad consistency between theoretical expectations and the observations, but rapid improvement in the data will provide much more critical tests of theory in the coming years. PMID:10200244

The Degree of Applying the Theoretical Frameworks of Child-Raising Specialty Courses in the Field of Training among the Female Students of Princess Alia University College

ERIC Educational Resources Information Center

Tweeikat, Mashhour Mohammad; AL-Kaddah, Muhammad Ibrahim

2014-01-01

This paper aims at studying to what extent the female students in Child Education department at Princess Alia University College manage to apply the theoretical part in field training program. The data, which is the scope of this study, consists of 42 staff members and 36 educational supervisors responsible for the program. The two researchers…

Ultimate Gradient Limitation in Niobium Superconducting Accelerating Cavities

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

Checchin, Mattia; Grassellino, Anna; Martinello, Martina

2016-06-01

The present study is addressed to the theoretical description of the ultimate gradient limitation in SRF cavities. Our intent is to exploit experimental data to confirm models which provide feed-backs on how to improve the current state-of-art. New theoretical insight on the cavities limiting factor can be suitable to improve the quench field of N-doped cavities, and therefore to take advantage of high Q 0 at high gradients.

Interplay between theory and experiment: computational organometallic and transition metal chemistry.

PubMed

Lin, Zhenyang

2010-05-18

Computational and theoretical chemistry provide fundamental insights into the structures, properties, and reactivities of molecules. As a result, theoretical calculations have become indispensable in various fields of chemical research and development. In this Account, we present our research in the area of computational transition metal chemistry, using examples to illustrate how theory impacts our understanding of experimental results and how close collaboration between theoreticians and experimental chemists can be mutually beneficial. We begin by examining the use of computational chemistry to elucidate the details of some unusual chemical bonds. We consider the three-center, two-electron bonding in titanocene sigma-borane complexes and the five-center, four-electron bonding in a rhodium-bismuth complex. The bonding in metallabenzene complexes is also examined. In each case, theoretical calculations provide particular insight into the electronic structure of the chemical bonds. We then give an example of how theoretical calculations aided the structural determination of a kappa(2)-N,N chelate ruthenium complex formed upon heating an intermediate benzonitrile-coordinated complex. An initial X-ray diffraction structure proposed on the basis of a reasonable mechanism appeared to fit well, with an apparently acceptable R value of 0.0478. But when DFT calculations were applied, the optimized geometry differed significantly from the experimental data. By combining experimental and theoretical outlooks, we posited a new structure. Remarkably, a re-refining of the X-ray diffraction data based on the new structure resulted in a slightly lower R value of 0.0453. We further examine the use of computational chemistry in providing new insight into C-H bond activation mechanisms and in understanding the reactivity properties of nucleophilic boryl ligands, addressing experimental difficulties with calculations and vice versa. Finally, we consider the impact of theoretical insights in three very specific experimental studies of chemical reactions, illustrating how theoretical results prompt further experimental studies: (i) diboration of aldehydes catalyzed by copper(I) boryl complexes, (ii) ruthenium-catalyzed C-H amination of arylazides, and (iii) zinc reduction of a vinylcarbyne complex. The concepts and examples presented here are intended for nonspecialists, particularly experimentalists. Together, they illustrate some of the achievements that are possible with a fruitful union of experiment and theory.

Extrapolating theoretical efficacy of inactivated influenza A/H5N1 virus vaccine from human immunogenicity studies

PubMed Central

Feldstein, Leora R.; Matrajt, Laura; Halloran, M. Elizabeth; Keitel, Wendy A.; Longini, Ira M.

2016-01-01

Influenza A virus subtype H5N1 has been a public health concern for almost 20 years due to its potential ability to become transmissible among humans. Phase I and II clinical trials have assessed safety, reactogenicity and immunogenicity of inactivated influenza A/H5N1 virus vaccines. A shortage of vaccine is likely to occur during the first months of a pandemic. Hence, determining whether to give one dose to more people or two doses to fewer people to best protect the population is essential. We use hemagglutination-inhibition antibody titers as an immune correlate for avian influenza vaccines. Using an established relationship to obtain a theoretical vaccine efficacy from immunogenicity data from thirteen arms of six phase I and phase II clinical trials of inactivated influenza A/H5N1 virus vaccines, we assessed: 1) the proportion of theoretical vaccine efficacy achieved after a single dose (defined as primary response level), and 2) whether theoretical efficacy increases after a second dose, with and without adjuvant. Participants receiving vaccine with AS03 adjuvant had higher primary response levels (range: 0.48–0.57) compared to participants receiving vaccine with MF59 adjuvant (range: 0.32–0.47), with no observed trends in primary response levels by antigen dosage. After the first and second doses, vaccine with AS03 at dosage levels 3.75, 7.5 and 15 mcg had the highest estimated theoretical vaccine efficacy: Dose 1) 45% (95%CI: 36–57%), 53% (95%CI: 42–63%) and 55% (95%CI: 44–64%), respectively and Dose 2) 93% (95%CI: 89–96%), 97% (95%CI: 95–98%) and 97% (95%CI: 96–100%), respectively. On average, the estimated theoretical vaccine efficacy of lower dose adjuvanted vaccines (AS03 and MF59) was 17% higher than that of higher dose unadjuvanted vaccines, suggesting that including an adjuvant is dose-sparing. These data indicate adjuvanted inactivated influenza A/H5N1 virus vaccine produces high theoretical efficacy after two doses to protect individuals against a potential avian influenza pandemic. PMID:27268778

Exploring Environmental Factors in Nursing Workplaces That Promote Psychological Resilience: Constructing a Unified Theoretical Model.

PubMed

Cusack, Lynette; Smith, Morgan; Hegney, Desley; Rees, Clare S; Breen, Lauren J; Witt, Regina R; Rogers, Cath; Williams, Allison; Cross, Wendy; Cheung, Kin

2016-01-01

Building nurses' resilience to complex and stressful practice environments is necessary to keep skilled nurses in the workplace and ensuring safe patient care. A unified theoretical framework titled Health Services Workplace Environmental Resilience Model (HSWERM), is presented to explain the environmental factors in the workplace that promote nurses' resilience. The framework builds on a previously-published theoretical model of individual resilience, which identified the key constructs of psychological resilience as self-efficacy, coping and mindfulness, but did not examine environmental factors in the workplace that promote nurses' resilience. This unified theoretical framework was developed using a literary synthesis drawing on data from international studies and literature reviews on the nursing workforce in hospitals. The most frequent workplace environmental factors were identified, extracted and clustered in alignment with key constructs for psychological resilience. Six major organizational concepts emerged that related to a positive resilience-building workplace and formed the foundation of the theoretical model. Three concepts related to nursing staff support (professional, practice, personal) and three related to nursing staff development (professional, practice, personal) within the workplace environment. The unified theoretical model incorporates these concepts within the workplace context, linking to the nurse, and then impacting on personal resilience and workplace outcomes, and its use has the potential to increase staff retention and quality of patient care.

A theoretical framework to support research of health service innovation.

PubMed

Fox, Amanda; Gardner, Glenn; Osborne, Sonya

2015-02-01

Health service managers and policy makers are increasingly concerned about the sustainability of innovations implemented in health care settings. The increasing demand on health services requires that innovations are both effective and sustainable; however, research in this field is limited, with multiple disciplines, approaches and paradigms influencing the field. These variations prevent a cohesive approach, and therefore the accumulation of research findings, in the development of a body of knowledge. The purpose of this paper is to provide a thorough examination of the research findings and provide an appropriate theoretical framework to examine sustainability of health service innovation. This paper presents an integrative review of the literature available in relation to sustainability of health service innovation and provides the development of a theoretical framework based on integration and synthesis of the literature. A theoretical framework serves to guide research, determine variables, influence data analysis and is central to the quest for ongoing knowledge development. This research outlines the sustainability of innovation framework; a theoretical framework suitable for examining the sustainability of health service innovation. If left unaddressed, health services research will continue in an ad hoc manner, preventing full utilisation of outcomes, recommendations and knowledge for effective provision of health services. The sustainability of innovation theoretical framework provides an operational basis upon which reliable future research can be conducted.

New accurate theoretical line lists of 12CH4 and 13CH4 in the 0-13400 cm-1 range: Application to the modeling of methane absorption in Titan's atmosphere

NASA Astrophysics Data System (ADS)

Rey, Michaël; Nikitin, Andrei V.; Bézard, Bruno; Rannou, Pascal; Coustenis, Athena; Tyuterev, Vladimir G.

2018-03-01

The spectrum of methane is very important for the analysis and modeling of Titan's atmosphere but its insufficient knowledge in the near infrared, with the absence of reliable absorption coefficients, is an important limitation. In order to help the astronomer community for analyzing high-quality spectra, we report in the present work the first accurate theoretical methane line lists (T = 50-350 K) of 12CH4 and 13CH4 up to 13400 cm-1 ( > 0.75 μm). These lists are built from extensive variational calculations using our recent ab initio potential and dipole moment surfaces and will be freely accessible via the TheoReTS information system (http://theorets.univ-reims.fr, http://theorets.tsu.ru). Validation of these lists is presented throughout the present paper. For the sample of lines where upper energies were available from published analyses of experimental laboratory 12CH4 spectra, small empirical corrections in positions were introduced that could be useful for future high-resolution applications. We finally apply the TheoRetS line list to model Titan spectra as observed by VIMS and by DISR, respectively onboard Cassini and Huygens. These data are used to check that the TheoReTS line lists are able to model observations. We also make comparisons with other experimental or theoretical line lists. It appears that TheoRetS gives very reliable results better than ExoMol and even than HITRAN2012, except around 1.6 μm where it gives very similar results. We conclude that TheoReTS is suitable to be used for the modeling of planetary radiative transfer and photometry. A re-analysis of spectra recorded by the DISR instrument during the descent of the Huygens probe suggests that the CH4 mixing ratio decreases with altitude in Titan's stratosphere, reaching a value of ∼10-2 above the 110 km altitude.

Theoretical investigation on the soft X-ray spectrum of the highly-charged W54+ ions

NASA Astrophysics Data System (ADS)

Ding, Xiaobin; Yang, Jiaoxia; Koike, Fumihiro; Murakami, Izumi; Kato, Daiji; Sakaue, Hiroyuki A.; Nakamura, Nobuyuki; Dong, Chenzhong

2018-01-01

A detailed level collisional-radiative model of the E1 transition spectrum of Ca-like W54+ ion has been constructed. All the necessary atomic data has been calculated by relativistic configuration interaction (RCI) method with the implementation of Flexible Atomic Code (FAC). The results are in reasonable agreement with the available experimental and previous theoretical data. The synthetic spectrum has explained the EBIT spectrum in 29.5-32.5 Å , while several new strong transitions has been predicted to be observed in 18.5-19.6 Å for the future EBIT experiment with electron density ne = 1012 cm-3 and electron beam energy Ee = 18.2 keV.

Energy loss of argon in a laser-generated carbon plasma.

PubMed

Frank, A; Blazević, A; Grande, P L; Harres, K; Hessling, T; Hoffmann, D H H; Knobloch-Maas, R; Kuznetsov, P G; Nürnberg, F; Pelka, A; Schaumann, G; Schiwietz, G; Schökel, A; Schollmeier, M; Schumacher, D; Schütrumpf, J; Vatulin, V V; Vinokurov, O A; Roth, M

2010-02-01

The experimental data presented in this paper address the energy loss determination for argon at 4 MeV/u projectile energy in laser-generated carbon plasma covering a huge parameter range in density and temperature. Furthermore, a consistent theoretical description of the projectile charge state evolution via a Monte Carlo code is combined with an improved version of the CasP code that allows us to calculate the contributions to the stopping power of bound and free electrons for each projectile charge state. This approach gets rid of any effective charge description of the stopping power. Comparison of experimental data and theoretical results allows us to judge the influence of different plasma parameters.

Analytical evaluation of effect of equivalence ratio inlet-air temperature and combustion pressure on performance of several possible ram-jet fuels

NASA Technical Reports Server (NTRS)

Tower, Leonard K; Gammon, Benson E

1953-01-01

The results of an analytical investigation of the theoretical air specific impulse performance and adiabatic combustion temperatures of several possible ram-jet fuels over a range of equivalence ratios, inlet-air temperatures, and combustion pressures, is presented herein. The fuels include octane-1, 50-percent-magnesium slurry, boron, pentaborane, diborane, hydrogen, carbon, and aluminum. Thermal effects from high combustion temperatures were found to effect considerably the combustion performance of all the fuels. An increase in combustion pressure was beneficial to air specific impulse at high combustion temperatures. The use of these theoretical data in engine operation and in the evaluation of experimental data is described.

Mars methane engine

NASA Technical Reports Server (NTRS)

Bui, Hung; Coletta, Chris; Debois, Alain

1994-01-01

The feasibility of an internal combustion engine operating on a mixture of methane, carbon dioxide, and oxygen has been verified by previous design groups for the Mars Methane Engine Project. Preliminary stoichiometric calculations examined the theoretical fuel-air ratios needed for the combustion of methane. Installation of a computer data acquisition system along with various ancillary components will enable the performance of the engine, running on the described methane mixture, to be optimized with respect to minimizing excess fuel. Theoretical calculations for stoichiometric combustion of methane-oxygen-carbon dioxide mixtures yielded a ratio of 1:2:4.79 for a methane-oxygen-carbon dioxide mixture. Empirical data shows the values to be closer to 1:2.33:3.69 for optimum operation.

Exciton effects in the index of refraction of multiple quantum wells and superlattices

NASA Technical Reports Server (NTRS)

Kahen, K. B.; Leburton, J. P.

1986-01-01

Theoretical calculations of the index of refraction of multiple quantum wells and superlattices are presented. The model incorporates both the bound and continuum exciton contributions for the gamma region transitions. In addition, the electronic band structure model has both superlattice and bulk alloy properties. The results indicate that large light-hole masses, i.e., of about 0.23, produced by band mixing effects, are required to account for the experimental data. Furthermore, it is shown that superlattice effects rapidly decrease for energies greater than the confining potential barriers. Overall, the theoretical results are in very good agreement with the experimental data and show the importance of including exciton effects in the index of refraction.

Experimental and theoretical study of shuttle lee-side heat transfer rates

NASA Technical Reports Server (NTRS)

Mruk, G. K.; Bertin, J.; Lamb, J. P.

1975-01-01

The experimental program which was conducted in the Calspan 96-inch hypersonic shock tunnel to investigate what effect the windward surface temperature had on the heat transfer to the leeward surface of the space shuttle orbiter is discussed. Heat-transfer distributions, surface-pressure distributions, and schlieren photographs were obtained for an 0.01-scale model of the 139 configuration space shuttle orbiter at angles-of-attack of 30 and 40 deg. Similar data were obtained for an 0.01 scale wingless model of the 139 configuration at angles-of-attack of 30 and 90 deg. Data were obtained for Mach numbers from Reynolds numbers, and surface temperatures and compared with theoretical results.

Development of a global model for atmospheric backscatter at CO2 wavelengths

NASA Technical Reports Server (NTRS)

Kent, G. S.; Wang, P. H.; Farrukh, U.; Deepak, A.; Patterson, E. M.

1986-01-01

The variation of the aerosol backscattering at 10.6 micrometers within the free troposphere was investigated and a model to describe this variation was developed. The analysis combines theoretical modeling with the results contained within three independent data sets. The data sets used were obtained by the SAGE I/SAM II satellite experiments, the GAMETAG flight series, and by direct backscatter measurements. The theoretical work includes use of a bimodal, two component aerosol model, and the study of the microphysical and associated optical changes occurring within an aerosol plume. A consistent picture is obtained that describes the variation of the aerosol backscattering function in the free troposphere with altitude, latitude, and season.

A variational data assimilation system for the range dependent acoustic model using the representer method: Theoretical derivations.

PubMed

Ngodock, Hans; Carrier, Matthew; Fabre, Josette; Zingarelli, Robert; Souopgui, Innocent

2017-07-01

This study presents the theoretical framework for variational data assimilation of acoustic pressure observations into an acoustic propagation model, namely, the range dependent acoustic model (RAM). RAM uses the split-step Padé algorithm to solve the parabolic equation. The assimilation consists of minimizing a weighted least squares cost function that includes discrepancies between the model solution and the observations. The minimization process, which uses the principle of variations, requires the derivation of the tangent linear and adjoint models of the RAM. The mathematical derivations are presented here, and, for the sake of brevity, a companion study presents the numerical implementation and results from the assimilation simulated acoustic pressure observations.

Experimental validation of a quasi-steady theory for the flow through the glottis

NASA Astrophysics Data System (ADS)

Vilain, C. E.; Pelorson, X.; Fraysse, C.; Deverge, M.; Hirschberg, A.; Willems, J.

2004-09-01

In this paper a theoretical description of the flow through the glottis based on a quasi-steady boundary layer theory is presented. The Thwaites method is used to solve the von Kármán equations within the boundary layers. In practice this makes the theory much easier to use compared to Pohlhausen's polynomial approximations. This theoretical description is evaluated on the basis of systematic comparison with experimental data obtained under steady flow or unsteady (oscillating) flow without and with moving vocal folds. Results tend to show that the theory reasonably explains the measured data except when unsteady or viscous terms become predominant. This happens particularly during the collision of the vocal folds.

A program to evaluate a control system based on feedback of aerodynamic pressure differentials, part 1

NASA Technical Reports Server (NTRS)

Hrabak, R. R.; Levy, D. W.; Finn, P.; Roskam, J.

1981-01-01

The use of pressure differentials in a flight control system was evaluated. The pressure profile around the test surface was determined using two techniques: (1) windtunnel data (actual); and (2) NASA/Langley Single Element Airfoil Computer Program (theoretical). The system designed to evaluate the concept of using pressure differentials is composed of a sensor drive and power amplifiers, actuator, position potentiometer, and a control surface. The characteristics (both desired and actual) of the system and each individual component were analyzed. The desired characteristics of the system as a whole are given. The flight control system developed, the testing procedures and data reduction methods used, and theoretical frequency response analysis are described.

[Hospitality as an expression of nursing care].

PubMed

Barra, Daniela Couto Carvalho; Waterkemper, Roberta; Kempfer, Silvana Silveira; Carraro, Telma Elisa; Radünz, Vera

2010-01-01

Qualitative research whose purpose was to reflect and argue about the relationship between hospitality, care and nursing according to experiences of PhD students. The research was developed from theoretic and practical meeting carried through by disciplines "the care in Nursing and Health" of PhD nursing Program at Santa Catarina Federal University. Its chosen theoretical frame of Hospitality perspective while nursing care. Data were collected applying a semi-structured questionnaire at ten doctoral students. The analysis of the data was carried through under the perspective of the content analysis according to Bardin. Hospitality it is imperative for the individuals adaptation in the hospital context or any area where it is looking for health care.

When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical.

PubMed

Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed

2017-08-01

Joint refinement of X-ray and polarized neutron diffraction data has been carried out in order to determine charge and spin density distributions simultaneously in the nitronyl nitroxide (NN) free radical Nit(SMe)Ph. For comparison purposes, density functional theory (DFT) and complete active-space self-consistent field (CASSCF) theoretical calculations were also performed. Experimentally derived charge and spin densities show significant differences between the two NO groups of the NN function that are not observed from DFT theoretical calculations. On the contrary, CASSCF calculations exhibit the same fine details as observed in spin-resolved joint refinement and a clear asymmetry between the two NO groups.

MUSIC-characterization of small scatterers for normal measurement data

NASA Astrophysics Data System (ADS)

Griesmaier, Roland; Hanke, Martin

2009-07-01

We investigate the reconstruction of the positions of a collection of small metallic objects buried beneath the ground from measurements of the vertical component of scattered fields corresponding to vertically polarized dipole excitations on a horizontal two-dimensional measurement device above the surface of the ground. A MUSIC reconstruction method for this problem has recently been proposed by Iakovleva et al (2007 IEEE Trans. Antennas Propag. 55 2598). In this paper, we give a rigorous theoretical justification of this method. To that end we prove a characterization of the positions of the scatterers in terms of the measurement data, applying an asymptotic analysis of the scattered fields. We present numerical results to illustrate our theoretical findings.

An assessment of support vector machines for land cover classification

USGS Publications Warehouse

Huang, C.; Davis, L.S.; Townshend, J.R.G.

2002-01-01

The support vector machine (SVM) is a group of theoretically superior machine learning algorithms. It was found competitive with the best available machine learning algorithms in classifying high-dimensional data sets. This paper gives an introduction to the theoretical development of the SVM and an experimental evaluation of its accuracy, stability and training speed in deriving land cover classifications from satellite images. The SVM was compared to three other popular classifiers, including the maximum likelihood classifier (MLC), neural network classifiers (NNC) and decision tree classifiers (DTC). The impacts of kernel configuration on the performance of the SVM and of the selection of training data and input variables on the four classifiers were also evaluated in this experiment.

Representing and querying now-relative relational medical data.

PubMed

Anselma, Luca; Piovesan, Luca; Stantic, Bela; Terenziani, Paolo

2018-03-01

Temporal information plays a crucial role in medicine. Patients' clinical records are intrinsically temporal. Thus, in Medical Informatics there is an increasing need to store, support and query temporal data (particularly in relational databases), in order, for instance, to supplement decision-support systems. In this paper, we show that current approaches to relational data have remarkable limitations in the treatment of "now-relative" data (i.e., data holding true at the current time). This can severely compromise their applicability in general, and specifically in the medical context, where "now-relative" data are essential to assess the current status of the patients. We propose a theoretically grounded and application-independent relational approach to cope with now-relative data (which can be paired, e.g., with different decision support systems) overcoming such limitations. We propose a new temporal relational representation, which is the first relational model coping with the temporal indeterminacy intrinsic in now-relative data. We also propose new temporal algebraic operators to query them, supporting the distinction between possible and necessary time, and Allen's temporal relations between data. We exemplify the impact of our approach, and study the theoretical and computational properties of the new representation and algebra. Copyright © 2018 Elsevier B.V. All rights reserved.

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments.

PubMed

Prasai, Binay; Wilson, A R; Wiley, B J; Ren, Y; Petkov, Valeri

2015-11-14

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au(100-x)Pd(x) (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when "tuned up" against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.

The transfer of theoretical knowledge to clinical practice by nursing students and the difficulties they experience: A qualitative study.

PubMed

Günay, Ulviye; Kılınç, Gülsen

2018-06-01

Nursing education contains both theoretical and practical training processes. Clinical training is the basis of nursing education. The quality of clinical training is closely related to the quality of the clinical learning environment. This study aimed to determine the transfer of theoretical knowledge into clinical practice by nursing students and the difficulties they experience during this process. A qualitative research design was used in the study. The study was conducted in 2015 with 30 nursing students in a university located in the east of Turkey, constituting three focus groups. The questions directed to the students during the focus group interviews were as follows: What do you think about your clinical training? How do you evaluate yourself in the process of putting your theoretical knowledge into clinical practice? What kind of difficulties are you experiencing in clinical practices? The data were interpreted using the method of content analysis. Most of the students reported that theoretical information they received was excessive, their ability to put most of this information into practice was weak, and they lacked courage to touch patients for fear of implementing procedures incorrectly. As a result of the analysis of the data, five main themes were determined: clinical training, guidance and communication, hospital environment and expectations. The results of this study showed that nursing students found their clinical knowledge and skills insufficient and usually failed to transfer their theoretical knowledge into clinical practices. The study observed that nursing students experienced various issues in clinical practices. In order to fix these issues and achieve an effective clinical training environment, collaboration should be achieved among nursing instructors, nurses, nursing school and hospital managements. Additionally, the number of nursing educators should be increased and training programs should be provided regarding effective clinical training methods. Copyright © 2018 Elsevier Ltd. All rights reserved.

Crystal structure prediction supported by incomplete experimental data

NASA Astrophysics Data System (ADS)

Tsujimoto, Naoto; Adachi, Daiki; Akashi, Ryosuke; Todo, Synge; Tsuneyuki, Shinji

2018-05-01

We propose an efficient theoretical scheme for structure prediction on the basis of the idea of combining methods, which optimize theoretical calculation and experimental data simultaneously. In this scheme, we formulate a cost function based on a weighted sum of interatomic potential energies and a penalty function which is defined with partial experimental data totally insufficient for conventional structure analysis. In particular, we define the cost function using "crystallinity" formulated with only peak positions within the small range of the x-ray-diffraction pattern. We apply this method to well-known polymorphs of SiO2 and C with up to 108 atoms in the simulation cell and show that it reproduces the correct structures efficiently with very limited information of diffraction peaks. This scheme opens a new avenue for determining and predicting structures that are difficult to determine by conventional methods.

Information theoretical assessment of digital imaging systems

NASA Technical Reports Server (NTRS)

John, Sarah; Rahman, Zia-Ur; Huck, Friedrich O.; Reichenbach, Stephen E.

1990-01-01

The end-to-end performance of image gathering, coding, and restoration as a whole is considered. This approach is based on the pivotal relationship that exists between the spectral information density of the transmitted signal and the restorability of images from this signal. The information-theoretical assessment accounts for (1) the information density and efficiency of the acquired signal as a function of the image-gathering system design and the radiance-field statistics, and (2) the improvement in information efficiency and data compression that can be gained by combining image gathering with coding to reduce the signal redundancy and irrelevancy. It is concluded that images can be restored with better quality and from fewer data as the information efficiency of the data is increased. The restoration correctly explains the image gathering and coding processes and effectively suppresses the image-display degradations.

Study of the high-pressure helium phase diagram using molecular dynamics

NASA Astrophysics Data System (ADS)

Koci, L.; Ahuja, R.; Belonoshko, A. B.; Johansson, B.

2007-01-01

The rich occurrence of helium and hydrogen in space makes their properties highly interesting. By means of molecular dynamics (MD), we have examined two interatomic potentials for 4He. Both potentials are demonstrated to reproduce high-pressure solid and liquid equation of state (EOS) data. The EOS, solid-solid transitions and melting at high pressures (P) were studied using a two-phase method. The Buckingham potential shows a good agreement with theoretical and experimental EOS, but does not reproduce experimental melting data. The Aziz potential shows a perfect match with theoretical melting data. We conclude that there is a stable body-centred-cubic (bcc) phase for 4He at temperatures (T) above 340 K and pressures above 22 GPa for the Buckingham potential, whereas no bcc phase is found for the Aziz potential in the applied PT range.

Information theoretical assessment of digital imaging systems

NASA Astrophysics Data System (ADS)

John, Sarah; Rahman, Zia-Ur; Huck, Friedrich O.; Reichenbach, Stephen E.

1990-10-01

The end-to-end performance of image gathering, coding, and restoration as a whole is considered. This approach is based on the pivotal relationship that exists between the spectral information density of the transmitted signal and the restorability of images from this signal. The information-theoretical assessment accounts for (1) the information density and efficiency of the acquired signal as a function of the image-gathering system design and the radiance-field statistics, and (2) the improvement in information efficiency and data compression that can be gained by combining image gathering with coding to reduce the signal redundancy and irrelevancy. It is concluded that images can be restored with better quality and from fewer data as the information efficiency of the data is increased. The restoration correctly explains the image gathering and coding processes and effectively suppresses the image-display degradations.

Optimal control model predictions of system performance and attention allocation and their experimental validation in a display design study

NASA Technical Reports Server (NTRS)

Johannsen, G.; Govindaraj, T.

1980-01-01

The influence of different types of predictor displays in a longitudinal vertical takeoff and landing (VTOL) hover task is analyzed in a theoretical study. Several cases with differing amounts of predictive and rate information are compared. The optimal control model of the human operator is used to estimate human and system performance in terms of root-mean-square (rms) values and to compute optimized attention allocation. The only part of the model which is varied to predict these data is the observation matrix. Typical cases are selected for a subsequent experimental validation. The rms values as well as eye-movement data are recorded. The results agree favorably with those of the theoretical study in terms of relative differences. Better matching is achieved by revised model input data.

Characterization of Forest Opacity Using Multi-Angular Emission and Backscatter Data

NASA Technical Reports Server (NTRS)

Kurum, Mehmet; O'Neill, Peggy; Lang, Roger H.; Joseph, Alicia T.; Cosh, Michael H.; Jackson, Thomas J.

2010-01-01

This paper discusses the results from a series of field experiments using ground-based L-band microwave active/passive sensors. Three independent approaches are employed to the microwave data to determine vegetation opacity of coniferous trees. First, a zero-order radiative transfer model is fitted to multi-angular microwave emissivity data in a least-square sense to provide "effective" vegetation optical depth. Second, a ratio between radar backscatter measurements with the corner reflector under trees and in an open area is calculated to obtain "measured" tree propagation characteristics. Finally, the "theoretical" propagation constant is determined by forward scattering theorem using detailed measurements of size/angle distributions and dielectric constants of the tree constituents (trunk, branches, and needles). The results indicate that "effective" values underestimate attenuation values compared to both "theoretical" and "measured" values.

Use of an expert system data analysis manager for space shuttle main engine test evaluation

NASA Technical Reports Server (NTRS)

Abernethy, Ken

1988-01-01

The ability to articulate, collect, and automate the application of the expertise needed for the analysis of space shuttle main engine (SSME) test data would be of great benefit to NASA liquid rocket engine experts. This paper describes a project whose goal is to build a rule-based expert system which incorporates such expertise. Experiential expertise, collected directly from the experts currently involved in SSME data analysis, is used to build a rule base to identify engine anomalies similar to those analyzed previously. Additionally, an alternate method of expertise capture is being explored. This method would generate rules inductively based on calculations made using a theoretical model of the SSME's operation. The latter rules would be capable of diagnosing anomalies which may not have appeared before, but whose effects can be predicted by the theoretical model.

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

PubMed

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

2015-12-01

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

Teaching Data Science to Post Graduate Students: A Preliminary Study Using a "F-L-I-P" Class Room Approach

ERIC Educational Resources Information Center

Eybers, Sunet; Hattingh, Mariè

2016-01-01

Data is everywhere. As a result the need for data scientists with the correct skill set to analyze and interpret the data has escalated. Not surprisingly, data scientists are currently one of the most wanted professions. Tertiary institutions are faced with the challenge of producing students with the correct blend of theoretical knowledge and…

Analyzing Data from a Pretest-Posttest Control Group Design: The Importance of Statistical Assumptions

ERIC Educational Resources Information Center

Zientek, Linda; Nimon, Kim; Hammack-Brown, Bryn

2016-01-01

Purpose: Among the gold standards in human resource development (HRD) research are studies that test theoretically developed hypotheses and use experimental designs. A somewhat typical experimental design would involve collecting pretest and posttest data on individuals assigned to a control or experimental group. Data from such a design that…

The Next Step in Educational Program Budgets and Information Resource Management: Integrated Data Structures.

ERIC Educational Resources Information Center

Jackowski, Edward M.

1988-01-01

Discusses the role that information resource management (IRM) plays in educational program-oriented budgeting (POB), and presents a theoretical IRM model. Highlights include design considerations for integrated data systems; database management systems (DBMS); and how POB data can be integrated to enhance its value and use within an educational…

Experimental investigations relating to the properties and formation of cosmic grains

NASA Technical Reports Server (NTRS)

Donn, B.

1986-01-01

The interpretation of observations or theoretical analyses of interstellar processes requires a sound knowledge of relevant data. In many instances this can only be obtained by experiments carried out under appropriate conditions. The availability of such data applicable to the subject and the techniques for obtaining the data are surveyed.

A Molecular Iodine Spectral Data Set for Rovibronic Analysis

ERIC Educational Resources Information Center

Williamson, J. Charles; Kuntzleman, Thomas S.; Kafader, Rachael A.

2013-01-01

A data set of 7,381 molecular iodine vapor rovibronic transitions between the X and B electronic states has been prepared for an advanced undergraduate spectroscopic analysis project. Students apply standard theoretical techniques to these data and determine the values of three X-state constants (image omitted) and four B-state constants (image…

Data Mining in Earth System Science (DMESS 2011)

Treesearch

Forrest M. Hoffman; J. Walter Larson; Richard Tran Mills; Bhorn-Gustaf Brooks; Auroop R. Ganguly; William Hargrove; et al

2011-01-01

From field-scale measurements to global climate simulations and remote sensing, the growing body of very large and long time series Earth science data are increasingly difficult to analyze, visualize, and interpret. Data mining, information theoretic, and machine learning techniques—such as cluster analysis, singular value decomposition, block entropy, Fourier and...

Collaborative Data-Driven Decision Making: A Qualitative Study of the Lived Experiences of Primary Grade Classroom Teachers

ERIC Educational Resources Information Center

Ralston, Christine R.

2012-01-01

The purpose of this qualitative study was to describe the lived experiences of primary classroom teachers participating in collaborative data-driven decision making. Hermeneutic phenomenology served as the theoretical framework. Data were collected by conducting interviews with thirteen classroom teachers who taught in grades kindergarten through…

A BAYES LIKELIHOOD INFORMATION THEORETIC APPROACH FOR THE EXOGENOUS AGGREGATION OF REGIONAL GROUND WATER QUALITY DATA

EPA Science Inventory

This work addresses a potentially serious problem in analysis or synthesis of spatially explicit data on ground water quality from wells, known to geographers as the modifiable areal unit problem (MAUP). It results from the fact that in regional aggregation of spatial data, inves...

The Mind of the Terrorist: A Review and Critique of Psychological Approaches

ERIC Educational Resources Information Center

Victoroff, Jeff

2005-01-01

This article reviews the state of the art of available theories and data regarding the psychology of terrorism. Data and theoretical material were gathered from the world's unclassified literature. Multiple theories and some demographic data have been published, but very few controlled empirical studies have been conducted investigating the…

On the appropriateness of applying chi-square distribution based confidence intervals to spectral estimates of helicopter flyover data

NASA Technical Reports Server (NTRS)

Rutledge, Charles K.

1988-01-01

The validity of applying chi-square based confidence intervals to far-field acoustic flyover spectral estimates was investigated. Simulated data, using a Kendall series and experimental acoustic data from the NASA/McDonnell Douglas 500E acoustics test, were analyzed. Statistical significance tests to determine the equality of distributions of the simulated and experimental data relative to theoretical chi-square distributions were performed. Bias and uncertainty errors associated with the spectral estimates were easily identified from the data sets. A model relating the uncertainty and bias errors to the estimates resulted, which aided in determining the appropriateness of the chi-square distribution based confidence intervals. Such confidence intervals were appropriate for nontonally associated frequencies of the experimental data but were inappropriate for tonally associated estimate distributions. The appropriateness at the tonally associated frequencies was indicated by the presence of bias error and noncomformity of the distributions to the theoretical chi-square distribution. A technique for determining appropriate confidence intervals at the tonally associated frequencies was suggested.

Review of Nearshore Morphologic Prediction

NASA Astrophysics Data System (ADS)

Plant, N. G.; Dalyander, S.; Long, J.

2014-12-01

The evolution of the world's erodible coastlines will determine the balance between the benefits and costs associated with human and ecological utilization of shores, beaches, dunes, barrier islands, wetlands, and estuaries. So, we would like to predict coastal evolution to guide management and planning of human and ecological response to coastal changes. After decades of research investment in data collection, theoretical and statistical analysis, and model development we have a number of empirical, statistical, and deterministic models that can predict the evolution of the shoreline, beaches, dunes, and wetlands over time scales of hours to decades, and even predict the evolution of geologic strata over the course of millennia. Comparisons of predictions to data have demonstrated that these models can have meaningful predictive skill. But these comparisons also highlight the deficiencies in fundamental understanding, formulations, or data that are responsible for prediction errors and uncertainty. Here, we review a subset of predictive models of the nearshore to illustrate tradeoffs in complexity, predictive skill, and sensitivity to input data and parameterization errors. We identify where future improvement in prediction skill will result from improved theoretical understanding, and data collection, and model-data assimilation.

Translational medicine in the Age of Big Data.

PubMed

Tatonetti, Nicholas P

2017-10-12

The ability to collect, store and analyze massive amounts of molecular and clinical data is fundamentally transforming the scientific method and its application in translational medicine. Collecting observations has always been a prerequisite for discovery, and great leaps in scientific understanding are accompanied by an expansion of this ability. Particle physics, astronomy and climate science, for example, have all greatly benefited from the development of new technologies enabling the collection of larger and more diverse data. Unlike medicine, however, each of these fields also has a mature theoretical framework on which new data can be evaluated and incorporated-to say it another way, there are no 'first principals' from which a healthy human could be analytically derived. The worry, and it is a valid concern, is that, without a strong theoretical underpinning, the inundation of data will cause medical research to devolve into a haphazard enterprise without discipline or rigor. The Age of Big Data harbors tremendous opportunity for biomedical advances, but will also be treacherous and demanding on future scientists. © The Author 2017. Published by Oxford University Press.

A Markov game theoretic data fusion approach for cyber situational awareness

NASA Astrophysics Data System (ADS)

Shen, Dan; Chen, Genshe; Cruz, Jose B., Jr.; Haynes, Leonard; Kruger, Martin; Blasch, Erik

2007-04-01

This paper proposes an innovative data-fusion/ data-mining game theoretic situation awareness and impact assessment approach for cyber network defense. Alerts generated by Intrusion Detection Sensors (IDSs) or Intrusion Prevention Sensors (IPSs) are fed into the data refinement (Level 0) and object assessment (L1) data fusion components. High-level situation/threat assessment (L2/L3) data fusion based on Markov game model and Hierarchical Entity Aggregation (HEA) are proposed to refine the primitive prediction generated by adaptive feature/pattern recognition and capture new unknown features. A Markov (Stochastic) game method is used to estimate the belief of each possible cyber attack pattern. Game theory captures the nature of cyber conflicts: determination of the attacking-force strategies is tightly coupled to determination of the defense-force strategies and vice versa. Also, Markov game theory deals with uncertainty and incompleteness of available information. A software tool is developed to demonstrate the performance of the high level information fusion for cyber network defense situation and a simulation example shows the enhanced understating of cyber-network defense.

Thermal conductivity of molten salt mixtures: Theoretical model supported by equilibrium molecular dynamics simulations.

PubMed

Gheribi, Aïmen E; Chartrand, Patrice

2016-02-28

A theoretical model for the description of thermal conductivity of molten salt mixtures as a function of composition and temperature is presented. The model is derived by considering the classical kinetic theory and requires, for its parametrization, only information on thermal conductivity of pure compounds. In this sense, the model is predictive. For most molten salt mixtures, no experimental data on thermal conductivity are available in the literature. This is a hindrance for many industrial applications (in particular for thermal energy storage technologies) as well as an obvious barrier for the validation of the theoretical model. To alleviate this lack of data, a series of equilibrium molecular dynamics (EMD) simulations has been performed on several molten chloride systems in order to determine their thermal conductivity in the entire range of composition at two different temperatures: 1200 K and 1300 K. The EMD simulations are first principles type, as the potentials used to describe the interactions have been parametrized on the basis of first principle electronic structure calculations. In addition to the molten chlorides system, the model predictions are also compared to a recent similar EMD study on molten fluorides and with the few reliable experimental data available in the literature. The accuracy of the proposed model is within the reported numerical and/or experimental errors.

Spectroscopic investigation, vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking studies of oxoaporphine alkaloid liriodenine

NASA Astrophysics Data System (ADS)

Costa, Renyer A.; Pitt, Priscilla Olliveira; Pinheiro, Maria Lucia B.; Oliveira, Kelson M. T.; Salomé, Kahlil Schwanka; Barison, Andersson; Costa, Emmanoel Vilaça

2017-03-01

A combined experimental and theoretical DFT study of the structural, vibrational and electronic properties of liriodenine is presented using B3LYP function with 6-311G (2d, p) basis set. The theoretical geometry optimization data were compared with the X-ray data for a similar structure in the associated literature, showing similar values. In addition, natural bond orbitals (NBOs), HOMO-LUMO energy gap, mapped molecular Electrostatic Potential (MEP) surface calculation, first and second order hyperpolarizabilities were also performed with the same calculation level. Theoretical UV spectrum agreed well with the measured experimental data, with transitions assigned. The molecular electrostatic potential map shows opposite potentials regions that forms hydrogen bonds that stabilize the dimeric form, which were confirmed by the close values related to the C dbnd O bond stretching between the dimeric form and the experimental IR spectra (1654 cm- 1 for the experimental, 1700 cm- 1 for the dimer form). Calculated HOMO/LUMO gaps shows the excitation energy for Liriodenine, justifying its stability and kinetics reaction. Molecular docking studies with Candida albicans dihydrofolate reductase (DHFR) and Candida albicans secreted aspartic protease (SAP) showed binding free energies values of - 8.5 and - 8.3 kcal/mol, suggesting good affinity between the liriodenine and the target macromolecules.

Informational analysis for compressive sampling in radar imaging.

PubMed

Zhang, Jingxiong; Yang, Ke

2015-03-24

Compressive sampling or compressed sensing (CS) works on the assumption of the sparsity or compressibility of the underlying signal, relies on the trans-informational capability of the measurement matrix employed and the resultant measurements, operates with optimization-based algorithms for signal reconstruction and is thus able to complete data compression, while acquiring data, leading to sub-Nyquist sampling strategies that promote efficiency in data acquisition, while ensuring certain accuracy criteria. Information theory provides a framework complementary to classic CS theory for analyzing information mechanisms and for determining the necessary number of measurements in a CS environment, such as CS-radar, a radar sensor conceptualized or designed with CS principles and techniques. Despite increasing awareness of information-theoretic perspectives on CS-radar, reported research has been rare. This paper seeks to bridge the gap in the interdisciplinary area of CS, radar and information theory by analyzing information flows in CS-radar from sparse scenes to measurements and determining sub-Nyquist sampling rates necessary for scene reconstruction within certain distortion thresholds, given differing scene sparsity and average per-sample signal-to-noise ratios (SNRs). Simulated studies were performed to complement and validate the information-theoretic analysis. The combined strategy proposed in this paper is valuable for information-theoretic orientated CS-radar system analysis and performance evaluation.

Experimental and Numerical Study of Spacecraft Contamination Problems Associated With Gas and Gas-Droplet Thruster Plume Flows

DTIC Science & Technology

2006-04-17

of the droplet phase are then used for validation of theoretical models of the gas-droplet plume flow. Based on experimental and numerical results...with the continuous model adequately reproduces the Arrhenius rate at high temperatures but significantly underpredicts the theoretical rate at low...continuous model and discrete model of real gas effects, and the results on the shock -wave stand-off distance were compared with the experimental data of

Theoretical Model of Electrode Polarization and AC Electroosmotic Fluid Flow in Planar Electrode Arrays.

PubMed

Scott, Matthew; Kaler, Karan V. I. S.; Paul, Reginald

2001-06-15

Strong frequency-dependent fluid flow has been observed near the surface of microelectrode arrays. Modeling this phenomenon has proven to be difficult, with existing theories unable to account for the qualitative trend observed in the frequency spectra of this flow. Using recent electrode polarization results, a more comprehensive model of the double layer on the electrode surface is used to obtain good theoretical agreement with experimental data. Copyright 2001 Academic Press.

Theoretical nozzle performance of a microwave electrothermal thruster using experimental data

NASA Technical Reports Server (NTRS)

Haraburda, Scott S.; Hawley, Martin C.

1992-01-01

Research aimed at developing a fundamental understanding of the plasma processes as applied to spacecraft propulsion is presented. Calorimetric, photographic, and spectrophotometric measurements based on the TM011 and TM012 modes in the resonance cavity have been performed. The efficiency of a thruster has been calculated using a theoretical model for predicting temperature, velocity, and species density within the propellant. It is concluded that the microwave electrothermal thruster is a viable alternative to electrode thrusters.

Theoretical investigation of aberrations upon ametropic human eyes

NASA Astrophysics Data System (ADS)

Tan, Bo; Chen, Ying-Ling; Lewis, J. W. L.; Baker, Kevin

2003-11-01

The human eye aberrations are important for visual acuity and ophthalmic diagnostics and surgical procedures. Reported monochromatic aberration data of the normal 20/20 human eyes are scarce. There exist even fewer reports of the relation between ametropic conditions and aberrations. We theoretically investigate the monochromatic and chromatic aberrations of human eyes for refractive errors of -10 to +10 diopters. Schematic human eye models are employed using optical design software for axial, index, and refractive types of ametropia.

Flow process in combustors

NASA Technical Reports Server (NTRS)

Gouldin, F. C.

1982-01-01

Fluid mechanical effects on combustion processes in steady flow combustors, especially gas turbine combustors were investigated. Flow features of most interest were vorticity, especially swirl, and turbulence. Theoretical analyses, numerical calculations, and experiments were performed. The theoretical and numerical work focused on noncombusting flows, while the experimental work consisted of both reacting and nonreacting flow studies. An experimental data set, e.g., velocity, temperature and composition, was developed for a swirl flow combustor for use by combustion modelers for development and validation work.

Classical and quantum magnetism in giant Keplerate magnetic molecules.

PubMed

Müller, A; Luban, M; Schröder, C; Modler, R; Kögerler, P; Axenovich, M; Schnack, J; Canfield, P; Bud'ko, S; Harrison, N

2001-09-17

Complementary theoretical modeling methods are presented for the classical and quantum Heisenberg model to explain the magnetic properties of nanometer-sized magnetic molecules. Excellent quantitative agreement is achieved between our experimental data down to 0.1 K and for fields up to 60 Tesla and our theoretical results for the giant Keplerate species {Mo72Fe30}, by far the largest paramagnetic molecule synthesized to date. © 2001 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Analytical and scale model research aimed at improved hangglider design

NASA Technical Reports Server (NTRS)

Kroo, I.; Chang, L. S.

1979-01-01

Research consisted of a theoretical analysis which attempts to predict aerodynamic characteristics using lifting surface theory and finite-element structural analysis as well as an experimental investigation using 1/5 scale elastically similar models in the NASA Ames 2m x 3m (7' x 10') wind tunnel. Experimental data were compared with theoretical results in the development of a computer program which may be used in the design and evaluation of ultralight gliders.

Probabilistic, Decision-theoretic Disease Surveillance and Control

PubMed Central

Wagner, Michael; Tsui, Fuchiang; Cooper, Gregory; Espino, Jeremy U.; Harkema, Hendrik; Levander, John; Villamarin, Ricardo; Voorhees, Ronald; Millett, Nicholas; Keane, Christopher; Dey, Anind; Razdan, Manik; Hu, Yang; Tsai, Ming; Brown, Shawn; Lee, Bruce Y.; Gallagher, Anthony; Potter, Margaret

2011-01-01

The Pittsburgh Center of Excellence in Public Health Informatics has developed a probabilistic, decision-theoretic system for disease surveillance and control for use in Allegheny County, PA and later in Tarrant County, TX. This paper describes the software components of the system and its knowledge bases. The paper uses influenza surveillance to illustrate how the software components transform data collected by the healthcare system into population level analyses and decision analyses of potential outbreak-control measures. PMID:23569617

Psychometric properties and Confirmatory structure of the Strengths and difficulties questionnaire in a sample of adolescents in Nigeria.

PubMed

Akpa, Onoja M; Afolabi, Rotimi F; Fowobaje, Kayode R

Though the SDQ has been used in selected studies in Nigeria, its theoretical structure has not been fully and appropriately investigated in the setting. The present study employs Exploratory Factor Analysis (EFA) and Confirmatory Factor Analysis (CFA) to investigate the theoretical structure of the self-reported version of the SDQ in a sample of adolescents in Benue state, Nigeria. A total of 1,244 adolescents from different categories of secondary schools in Makurdi and Vandekya Local government areas of Benue state participated in the study. Preliminary data analyses were performed using descriptive statistics while the theoretical structure of the SDQ was assessed using EFA and CFA. Model fits were assessed using Chi-square test and other fit indices at 5% significance level. Participants were 14.19±2.45 (Vandekya) and 14.19±2.45 (Makurdi) years old. Results of the EFA and CFA revealed a 3-factor oblique model as the best model for the sample of adolescents studied ( χ 2 / df =2.20, p<0.001) with all fit indices yielding better results. A correlated 3-factor model fits the present data better than the 5-factor theoretical model of the SDQ. The use of the original 5-factor model of the SDQ in the present setting should be interpreted with caution.

Development of a TDLAS sensor for temperature and concentration of H2 O in high speed and high temperature flows

NASA Astrophysics Data System (ADS)

Sheehe, Suzanne; O'Byrne, Sean

2017-06-01

The development of a sensor for simultaneous temperature concentration of H2 O and temperature in high speed flows is presented. H2 O is a desirable target sensing species because it is a primary product in combustion systems; both temperature and concentration profiles can be used to assess both the extent of the combustion and the flow field characteristics. Accurate measurements are therefore highly desirable. The sensor uses a vertical-cavity surface emitting laser (VCSEL) scanned at 50 kHz from 7172 to 7186 cm-1. Temperatures and concentrations are extracted from the spectra by fitting theoretical spectra to the experimental data. The theoretical spectra are generated using GENSPECT in conjunction with line parameters from the HITRAN 2012 database. To validate the theoretical spectra, experimental spectra of H2 O were obtained at known temperatures (290-550 K) and pressures (30 torr) in a heated static gas cell. The results show that some theoretical lines deviate from the experimental lines. New line-strengths are calculated assuming that the line assignments and broadening parameters in HITRAN are correct. This data is essential for accurate H2 O concentration and temperature measurements at low pressure and high temperature conditions. US Air Force Asian Office of Aerospace Research and Development Grant FA2386-16-1-4092.

Theoretical analysis of the distribution of isolated particles in totally asymmetric exclusion processes: Application to mRNA translation rate estimation

NASA Astrophysics Data System (ADS)

Dao Duc, Khanh; Saleem, Zain H.; Song, Yun S.

2018-01-01

The Totally Asymmetric Exclusion Process (TASEP) is a classical stochastic model for describing the transport of interacting particles, such as ribosomes moving along the messenger ribonucleic acid (mRNA) during translation. Although this model has been widely studied in the past, the extent of collision between particles and the average distance between a particle to its nearest neighbor have not been quantified explicitly. We provide here a theoretical analysis of such quantities via the distribution of isolated particles. In the classical form of the model in which each particle occupies only a single site, we obtain an exact analytic solution using the matrix ansatz. We then employ a refined mean-field approach to extend the analysis to a generalized TASEP with particles of an arbitrary size. Our theoretical study has direct applications in mRNA translation and the interpretation of experimental ribosome profiling data. In particular, our analysis of data from Saccharomyces cerevisiae suggests a potential bias against the detection of nearby ribosomes with a gap distance of less than approximately three codons, which leads to some ambiguity in estimating the initiation rate and protein production flux for a substantial fraction of genes. Despite such ambiguity, however, we demonstrate theoretically that the interference rate associated with collisions can be robustly estimated and show that approximately 1% of the translating ribosomes get obstructed.

A Theoretical and Empirical Integrated Method to Select the Optimal Combined Signals for Geometry-Free and Geometry-Based Three-Carrier Ambiguity Resolution.

PubMed

Zhao, Dongsheng; Roberts, Gethin Wyn; Lau, Lawrence; Hancock, Craig M; Bai, Ruibin

2016-11-16

Twelve GPS Block IIF satellites, out of the current constellation, can transmit on three-frequency signals (L1, L2, L5). Taking advantages of these signals, Three-Carrier Ambiguity Resolution (TCAR) is expected to bring much benefit for ambiguity resolution. One of the research areas is to find the optimal combined signals for a better ambiguity resolution in geometry-free (GF) and geometry-based (GB) mode. However, the existing researches select the signals through either pure theoretical analysis or testing with simulated data, which might be biased as the real observation condition could be different from theoretical prediction or simulation. In this paper, we propose a theoretical and empirical integrated method, which first selects the possible optimal combined signals in theory and then refines these signals with real triple-frequency GPS data, observed at eleven baselines of different lengths. An interpolation technique is also adopted in order to show changes of the AR performance with the increase in baseline length. The results show that the AR success rate can be improved by 3% in GF mode and 8% in GB mode at certain intervals of the baseline length. Therefore, the TCAR can perform better by adopting the combined signals proposed in this paper when the baseline meets the length condition.

A Theoretical and Empirical Integrated Method to Select the Optimal Combined Signals for Geometry-Free and Geometry-Based Three-Carrier Ambiguity Resolution

PubMed Central

Zhao, Dongsheng; Roberts, Gethin Wyn; Lau, Lawrence; Hancock, Craig M.; Bai, Ruibin

2016-01-01

Twelve GPS Block IIF satellites, out of the current constellation, can transmit on three-frequency signals (L1, L2, L5). Taking advantages of these signals, Three-Carrier Ambiguity Resolution (TCAR) is expected to bring much benefit for ambiguity resolution. One of the research areas is to find the optimal combined signals for a better ambiguity resolution in geometry-free (GF) and geometry-based (GB) mode. However, the existing researches select the signals through either pure theoretical analysis or testing with simulated data, which might be biased as the real observation condition could be different from theoretical prediction or simulation. In this paper, we propose a theoretical and empirical integrated method, which first selects the possible optimal combined signals in theory and then refines these signals with real triple-frequency GPS data, observed at eleven baselines of different lengths. An interpolation technique is also adopted in order to show changes of the AR performance with the increase in baseline length. The results show that the AR success rate can be improved by 3% in GF mode and 8% in GB mode at certain intervals of the baseline length. Therefore, the TCAR can perform better by adopting the combined signals proposed in this paper when the baseline meets the length condition. PMID:27854324

Aerodynamic data banks for Clark-Y, NACA 4-digit and NACA 16-series airfoil families

NASA Technical Reports Server (NTRS)

Korkan, K. D.; Camba, J., III; Morris, P. M.

1986-01-01

With the renewed interest in propellers as means of obtaining thrust and fuel efficiency in addition to the increased utilization of the computer, a significant amount of progress was made in the development of theoretical models to predict the performance of propeller systems. Inherent in the majority of the theoretical performance models to date is the need for airfoil data banks which provide lift, drag, and moment coefficient values as a function of Mach number, angle-of-attack, maximum thickness to chord ratio, and Reynolds number. Realizing the need for such data, a study was initiated to provide airfoil data banks for three commonly used airfoil families in propeller design and analysis. The families chosen consisted of the Clark-Y, NACA 16 series, and NACA 4 digit series airfoils. The various component of each computer code, the source of the data used to create the airfoil data bank, the limitations of each data bank, program listing, and a sample case with its associated input-output are described. Each airfoil data bank computer code was written to be used on the Amdahl Computer system, which is IBM compatible and uses Fortran.

Database and Related Activities in Japan

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

Murakami, Izumi; Kato, Daiji; Kato, Masatoshi

2011-05-11

We have constructed and made available atomic and molecular (AM) numerical databases on collision processes such as electron-impact excitation and ionization, recombination and charge transfer of atoms and molecules relevant for plasma physics, fusion research, astrophysics, applied-science plasma, and other related areas. The retrievable data is freely accessible via the internet. We also work on atomic data evaluation and constructing collisional-radiative models for spectroscopic plasma diagnostics. Recently we have worked on Fe ions and W ions theoretically and experimentally. The atomic data and collisional-radiative models for these ions are examined and applied to laboratory plasmas. A visible M1 transition ofmore » W{sup 26+} ion is identified at 389.41 nm by EBIT experiments and theoretical calculations. We have small non-retrievable databases in addition to our main database. Recently we evaluated photo-absorption cross sections for 9 atoms and 23 molecules and we present them as a new database. We established a new association ''Forum of Atomic and Molecular Data and Their Applications'' to exchange information among AM data producers, data providers and data users in Japan and we hope this will help to encourage AM data activities in Japan.« less

Data Curation and Visualization for MuSIASEM Analysis of the Nexus

NASA Astrophysics Data System (ADS)

Renner, Ansel

2017-04-01

A novel software-based approach to relational analysis applying recent theoretical advancements of the Multi-Scale Integrated Analysis of Societal and Ecosystem Metabolism (MuSIASEM) accounting framework is presented. This research explores and explains underutilized ways software can assist complex system analysis across the stages of data collection, exploration, analysis and dissemination and in a transparent and collaborative manner. This work is being conducted as part of, and in support of, the four-year European Commission H2020 project: Moving Towards Adaptive Governance in Complexity: Informing Nexus Security (MAGIC). In MAGIC, theoretical advancements to MuSIASEM propose a powerful new approach to spatial-temporal WEFC relational analysis in accordance with a structural-functional scaling mechanism appropriate for biophysically relevant complex system analyses. Software is designed primarily with JavaScript using the Angular2 model-view-controller framework and the Data-Driven Documents (D3) library. These design choices clarify and modularize data flow, simplify research practitioner's work, allow for and assist stakeholder involvement and advance collaboration at all stages. Data requirements and scalable, robust yet light-weight structuring will first be explained. Following, algorithms to process this data will be explored. Data interfaces and data visualization approaches will lastly be presented and described.

Database and Related Activities in Japan

NASA Astrophysics Data System (ADS)

Murakami, Izumi; Kato, Daiji; Kato, Masatoshi; Sakaue, Hiroyuki A.; Kato, Takako; Ding, Xiaobin; Morita, Shigeru; Kitajima, Masashi; Koike, Fumihiro; Nakamura, Nobuyuki; Sakamoto, Naoki; Sasaki, Akira; Skobelev, Igor; Tsuchida, Hidetsugu; Ulantsev, Artemiy; Watanabe, Tetsuya; Yamamoto, Norimasa

2011-05-01

We have constructed and made available atomic and molecular (AM) numerical databases on collision processes such as electron-impact excitation and ionization, recombination and charge transfer of atoms and molecules relevant for plasma physics, fusion research, astrophysics, applied-science plasma, and other related areas. The retrievable data is freely accessible via the internet. We also work on atomic data evaluation and constructing collisional-radiative models for spectroscopic plasma diagnostics. Recently we have worked on Fe ions and W ions theoretically and experimentally. The atomic data and collisional-radiative models for these ions are examined and applied to laboratory plasmas. A visible M1 transition of W26+ ion is identified at 389.41 nm by EBIT experiments and theoretical calculations. We have small non-retrievable databases in addition to our main database. Recently we evaluated photo-absorption cross sections for 9 atoms and 23 molecules and we present them as a new database. We established a new association "Forum of Atomic and Molecular Data and Their Applications" to exchange information among AM data producers, data providers and data users in Japan and we hope this will help to encourage AM data activities in Japan.

Process Design Manual for Nitrogen Control.

ERIC Educational Resources Information Center

Parker, Denny S.; And Others

This manual presents theoretical and process design criteria for the implementation of nitrogen control technology in municipal wastewater treatment facilities. Design concepts are emphasized through examination of data from full-scale and pilot installations. Design data are included on biological nitrification and denitrification, breakpoint…

Student Engagement through Digital Data

ERIC Educational Resources Information Center

Gross, Liz; Meriwether, Jason L.

2016-01-01

This chapter suggests strategies and tools for student affairs professionals to leverage digital data to measure student engagement and learning outcomes, and refine programs that enhance institutional reputation and improve student persistence. The construct of student engagement is traced from its theoretical origins to recent research…

Modelling excitonic-energy transfer in light-harvesting complexes

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

Kramer, Tobias; Kreisbeck, Christoph

The theoretical and experimental study of energy transfer in photosynthesis has revealed an interesting transport regime, which lies at the borderline between classical transport dynamics and quantum-mechanical interference effects. Dissipation is caused by the coupling of electronic degrees of freedom to vibrational modes and leads to a directional energy transfer from the antenna complex to the target reaction-center. The dissipative driving is robust and does not rely on fine-tuning of specific vibrational modes. For the parameter regime encountered in the biological systems new theoretical tools are required to directly compare theoretical results with experimental spectroscopy data. The calculations require tomore » utilize massively parallel graphics processor units (GPUs) for efficient and exact computations.« less

Sol-gel derived antireflective structures for applications in silicon solar cells

NASA Astrophysics Data System (ADS)

Karasiński, Paweł; Skolik, Marcin

2016-12-01

This work presents theoretical and experimental results of antireflective coatings (ARCs) obtained for applications in silicon solar cells. ARCs were derived from sol-gel process and dip-coated using silica (SiO2) and titania (TiO2). Theoretical results were obtained using 2×2 transfer matrix calculation method. Technological process of SiO2 and TiO2 thin film fabrication as well as measurement techniques are described in this paper. Strong correlation between theoretical and experimental data is demonstrated. It is shown, that weighted average reflection from a substrate can be reduced ten times with the use of SiO2/TiO2/Si double layer ARCs, when compared to a bare silica substrate.

Vector wind profile gust model

NASA Technical Reports Server (NTRS)

Adelfang, S. I.

1979-01-01

Work towards establishing a vector wind profile gust model for the Space Transportation System flight operations and trade studies is reported. To date, all the statistical and computational techniques required were established and partially implemented. An analysis of wind profile gust at Cape Kennedy within the theoretical framework is presented. The variability of theoretical and observed gust magnitude with filter type, altitude, and season is described. Various examples are presented which illustrate agreement between theoretical and observed gust percentiles. The preliminary analysis of the gust data indicates a strong variability with altitude, season, and wavelength regime. An extension of the analyses to include conditional distributions of gust magnitude given gust length, distributions of gust modulus, and phase differences between gust components has begun.

Energetic Neutral Atom Emissions From Venus: VEX Observations and Theoretical Modeling

NASA Technical Reports Server (NTRS)

Fok, M.-C.; Galli, A.; Tanaka, T.; Moore, T. E.; Wurz, P.; Holmstrom, M.

2007-01-01

Venus has almost no intrinsic magnetic field to shield itself from its surrounding environment. The solar wind thus directly interacts with the planetary ionosphere and atmosphere. One of the by-products of this close encounter is the production of energetic neutral atom (ENA) emissions. Theoretical studies have shown that significant amount of ENAs are emanated from the planet. The launch of the Venus Express (VEX) in 2005 provided the first light ever of the Venus ENA emissions. The observed ENA flux level and structure are in pretty good agreement with the theoretical studies. In this paper, we present VEX ENA data and the comparison with numerical simulations. We seek to understand the solar wind interaction with the planet and the impacts on its atmospheres.

The hydrodynamic description of pseudorapidity distributions at lower energies at BNL-RHIC

NASA Astrophysics Data System (ADS)

Jiang, Zhi-Jin; Huang, Yan; Zhang, Hai-Li; Zhang, Yu

2017-04-01

The hot and dense matter produced in nucleus-nucleus collisions is supposed to expand according to unified hydrodynamics, one of the few theoretical models that can be worked out exactly. The solution is then used to formulate the rapidity distribution of charged particles frozen out from the fluid on the space-like hypersurface with a fixed temperature, T FO. A comparison is made between the theoretical predictions and the experimental measurements carried out by PHOBOS Collaboration in the Relativistic Heavy Ion Collider (RHIC) at the Brookhaven National Laboratory (BNL) in different centrality Au-Au and Cu-Cu collisions at √ {s_{ {NN}}} = 19.6 and 22.4 GeV, respectively. The theoretical results are in good accordance with experimental data.

Joint research effort on vibrations of twisted plates, phase 1: Final results

NASA Technical Reports Server (NTRS)

Kielb, R. E.; Leissa, A. W.; Macbain, J. C.; Carney, K. S.

1985-01-01

The complete theoretical and experimental results of the first phase of a joint government/industry/university research study on the vibration characteristics of twisted cantilever plates are given. The study is conducted to generate an experimental data base and to compare many different theoretical methods with each other and with the experimental results. Plates with aspect ratios, thickness ratios, and twist angles representative of current gas turbine engine blading are investigated. The theoretical results are generated by numerous finite element, shell, and beam analysis methods. The experimental results are obtained by precision matching a set of twisted plates and testing them at two laboratories. The second and final phase of the study will concern the effects of rotation.

Theoretical and Experimental Studies of the Transonic Flow Field and Associated Boundary Conditions near a Longitudinally-Slotted Wind-Tunnel Wall. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Everhart, Joel Lee

1988-01-01

A theoretical examination of the slotted-wall flow field is conducted to determine the appropriate wall pressure drop (or boundary condition) equation. This analysis improves the understanding of the fluid physics of these types of flow fields and helps in evaluating the uncertainties and limitations existing in previous mathematical developments. It is shown that the resulting slotted-wall boundary condition contains contributions from the airfoil-induced streamline curvature and the non-linear, quadratic, slot crossflow in addition to an often neglected linear term which results from viscous shearing in the slot. Existing and newly acquired experimental data are examined in the light of this formulation and theoretical developments.

Covariance approximation for fast and accurate computation of channelized Hotelling observer statistics

NASA Astrophysics Data System (ADS)

Bonetto, P.; Qi, Jinyi; Leahy, R. M.

2000-08-01

Describes a method for computing linear observer statistics for maximum a posteriori (MAP) reconstructions of PET images. The method is based on a theoretical approximation for the mean and covariance of MAP reconstructions. In particular, the authors derive here a closed form for the channelized Hotelling observer (CHO) statistic applied to 2D MAP images. The theoretical analysis models both the Poission statistics of PET data and the inhomogeneity of tracer uptake. The authors show reasonably good correspondence between these theoretical results and Monte Carlo studies. The accuracy and low computational cost of the approximation allow the authors to analyze the observer performance over a wide range of operating conditions and parameter settings for the MAP reconstruction algorithm.

A Theoretical Study of 8-Chloro-9-Hydroxy-Aflatoxin B₁, the Conversion Product of Aflatoxin B₁ by Neutral Electrolyzed Water.

PubMed

Escobedo-González, René; Méndez-Albores, Abraham; Villarreal-Barajas, Tania; Aceves-Hernández, Juan Manuel; Miranda-Ruvalcaba, René; Nicolás-Vázquez, Inés

2016-07-21

Theoretical studies of 8-chloro-9-hydroxy-aflatoxin B₁ (2) were carried out by Density Functional Theory (DFT). This molecule is the reaction product of the treatment of aflatoxin B₁ (1) with hypochlorous acid, from neutral electrolyzed water. Determination of the structural, electronic and spectroscopic properties of the reaction product allowed its theoretical characterization. In order to elucidate the formation process of 2, two reaction pathways were evaluated-the first one considering only ionic species (Cl⁺ and OH(-)) and the second one taking into account the entire hypochlorous acid molecule (HOCl). Both pathways were studied theoretically in gas and solution phases. In the first suggested pathway, the reaction involves the addition of chlorenium ion to 1 forming a non-classic carbocation assisted by anchimeric effect of the nearest aromatic system, and then a nucleophilic attack to the intermediate by the hydroxide ion. In the second studied pathway, as a first step, the attack of the double bond from the furanic moiety of 1 to the hypochlorous acid is considered, accomplishing the same non-classical carbocation, and again in the second step, a nucleophilic attack by the hydroxide ion. In order to validate both reaction pathways, the atomic charges, the highest occupied molecular orbital and the lowest unoccupied molecular orbital were obtained for both substrate and product. The corresponding data imply that the C₉ atom is the more suitable site of the substrate to interact with the hydroxide ion. It was demonstrated by theoretical calculations that a vicinal and anti chlorohydrin is produced in the terminal furan ring. Data of the studied compound indicate an important reduction in the cytotoxic and genotoxic potential of the target molecule, as demonstrated previously by our research group using different in vitro assays.

Theoretical Loss and Gambling Intensity (Revisited): A Response to Braverman et al. (2013).

PubMed

Auer, Michael; Griffiths, Mark D

2015-09-01

In this paper, we provide a brief response to Braverman et al. (J Gambl Stud. doi: 10.1007/s10899-013-9428-z , 2013b) critique of our 'Theoretical Loss' metric as a measure of monetary gambling intensity (Auer and Griffiths in J Gambl Stud. doi: 10.1007/s10899-013-9376-7 , 2013a; Auer et al. in Gaming Law Rev Econ 16:269-273, 2012). We argue that 'gambling intensity' and 'gambling involvement' are essentially the same construct as descriptors of monetary gambling activity. Additionally, we acknowledge that playing duration (i.e., the amount of time—as opposed to money—actually spent gambling) is clearly another important indicator of gambling involvement-something that we have consistently noted in our previous studies including our empirical studies on gambling using behavioural tracking data. Braverman and colleagues claim that the concept of Theoretical Loss is nullified when statistical analysis focuses solely on one game type as the house edge is constant across all games. In fact, they state, the correlation between total amount wagered and Theoretical Loss is perfect. Unfortunately, this is incorrect. To disprove the claim made, we demonstrate that in sports betting (i.e., a single game type), the amount wagered does not reflect monetary gambling involvement using actual payout percentage data (based on 52,500 independent bets provided to us by an online European bookmaker). After reviewing the arguments presented by Braverman and colleagues, we are still of the view that when it comes to purely monetary measures of 'gambling intensity', the Theoretical Loss metric is a more robust and accurate measure than other financial proxy measures such as 'amount wagered' (i.e., bet size) as a measure of what players are prepared to financially risk while gambling.

a Theoretical and Experimental Investigation of 1/F Noise in the Alpha Decay Rates of AMERICIUM-241.

NASA Astrophysics Data System (ADS)

Pepper, Gary T.

New experimental methods and data analysis techniques were used to investigate the hypothesis of the existence of 1/f noise in a alpha particle emission rates for ^{241}Am. Experimental estimates of the flicker floor were found to be almost two orders of magnitude less than Handel's theoretical prediction and previous measurements. The existence of a flicker floor for ^{57}Co decay, a process for which no charged particles are emitted, indicate that instrumental instability is likely responsible for the values of the flicker floor obtained. The experimental results and the theoretical arguments presented indicate that a re-examination of Handel's theory of 1/f noise is appropriate. Methods of numerical simulation of noise processes with a 1/f^{rm n} power spectral density were developed. These were used to investigate various statistical aspects of 1/f ^{rm n} noise. The probability density function for the Allan variance was investigated in order to establish confidence limits for the observations made. The effect of using grouped (correlated) data, for evaluating the Allan variance, was also investigated.

[Learning strategies of autonomous medical students].

PubMed

Márquez U, Carolina; Fasce H, Eduardo; Ortega B, Javiera; Bustamante D, Carolina; Pérez V, Cristhian; Ibáñez G, Pilar; Ortiz M, Liliana; Espinoza P, Camila; Bastías V, Nancy

2015-12-01

Understanding how autonomous students are capable of regulating their own learning process is essential to develop self-directed teaching methods. To understand how self-directed medical students approach learning in medical schools at University of Concepción, Chile. A qualitative and descriptive study, performed according to Grounded Theory guidelines, following Strauss & Corbin was performed. Twenty medical students were selected by the maximum variation sampling method. The data collection technique was carried out by a semi-structured thematic interview. Students were interviewed by researchers after an informed consent procedure. Data were analyzed by the open coding method using Atlas-ti 7.5.2 software. Self-directed learners were characterized by being good planners and managing their time correctly. Students performed a diligent selection of contents to study based on reliable literature sources, theoretical relevance and type of evaluation. They also emphasized the discussion of clinical cases, where theoretical contents can be applied. This modality allows them to gain a global view of theoretical contents, to verbalize knowledge and to obtain a learning feedback. The learning process of autonomous students is intentional and planned.

An assessment of silver copper sulfides for photovoltaic applications: theoretical and experimental insights† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6ta03376h Click here for additional data file. Click here for additional data file.

PubMed Central

Savory, Christopher N.; Ganose, Alex M.; Travis, Will; Atri, Ria S.; Palgrave, Robert G.

2016-01-01

As the worldwide demand for energy increases, low-cost solar cells are being looked to as a solution for the future. To attain this, non-toxic earth-abundant materials are crucial, however cell efficiencies for current materials are limited in many cases. In this article, we examine the two silver copper sulfides AgCuS and Ag3CuS2 as possible solar absorbers using hybrid density functional theory, diffuse reflectance spectroscopy, XPS and Hall effect measurements. We show that both compounds demonstrate promising electronic structures and band gaps for high theoretical efficiency solar cells, based on Shockley–Queisser limits. Detailed analysis of their optical properties, however, indicates that only AgCuS should be of interest for PV applications, with a high theoretical efficiency. From this, we also calculate the band alignment of AgCuS against various buffer layers to aid in future device construction. PMID:27774149

True Density Prediction of Garlic Slices Dehydrated by Convection.

PubMed

López-Ortiz, Anabel; Rodríguez-Ramírez, Juan; Méndez-Lagunas, Lilia

2016-01-01

Physiochemical parameters with constant values are employed for the mass-heat transfer modeling of the air drying process. However, structural properties are not constant under drying conditions. Empirical, semi-theoretical, and theoretical models have been proposed to describe true density (ρp). These models only consider the ideal behavior and assume a linear relationship between ρp and moisture content (X); nevertheless, some materials exhibit a nonlinear behavior of ρp as a function of X with a tendency toward being concave-down. This comportment, which can be observed in garlic and carrots, has been difficult to model mathematically. This work proposes a semi-theoretical model for predicting ρp values, taking into account the concave-down comportment that occurs at the end of the drying process. The model includes the ρs dependency on external conditions (air drying temperature (Ta)), the inside temperature of the garlic slices (Ti ), and the moisture content (X) obtained from experimental data on the drying process. Calculations show that the dry solid density (ρs ) is not a linear function of Ta, X, and Ti . An empirical correlation for ρs is proposed as a function of Ti and X. The adjustment equation for Ti is proposed as a function of Ta and X. The proposed model for ρp was validated using experimental data on the sliced garlic and was compared with theoretical and empirical models that are available in the scientific literature. Deviation between the experimental and predicted data was determined. An explanation of the nonlinear behavior of ρs and ρp in the function of X, taking into account second-order phase changes, are then presented. © 2015 Institute of Food Technologists®

a Protocol for High-Accuracy Theoretical Thermochemistry

NASA Astrophysics Data System (ADS)

Welch, Bradley; Dawes, Richard

2017-06-01

Theoretical studies of spectroscopy and reaction dynamics including the necessary development of potential energy surfaces rely on accurate thermochemical information. The Active Thermochemical Tables (ATcT) approach by Ruscic^{1} incorporates data for a large number of chemical species from a variety of sources (both experimental and theoretical) and derives a self-consistent network capable of making extremely accurate estimates of quantities such as temperature dependent enthalpies of formation. The network provides rigorous uncertainties, and since the values don't rely on a single measurement or calculation, the provenance of each quantity is also obtained. To expand and improve the network it is desirable to have a reliable protocol such as the HEAT approach^{2} for calculating accurate theoretical data. Here we present and benchmark an approach based on explicitly-correlated coupled-cluster theory and vibrational perturbation theory (VPT2). Methyldioxy and Methyl Hydroperoxide are important and well-characterized species in combustion processes and begin the family of (ethyl-, propyl-based, etc) similar compounds (much less is known about the larger members). Accurate anharmonic frequencies are essential to accurately describe even the 0 K enthalpies of formation, but are especially important for finite temperature studies. Here we benchmark the spectroscopic and thermochemical accuracy of the approach, comparing with available data for the smallest systems, and comment on the outlook for larger systems that are less well-known and characterized. ^{1}B. Ruscic, Active Thermochemical Tables (ATcT) values based on ver. 1.118 of the Thermochemical Network (2015); available at ATcT.anl.gov ^{2}A. Tajti, P. G. Szalay, A. G. Császár, M. Kállay, J. Gauss, E. F. Valeev, B. A. Flowers, J. Vázquez, and J. F. Stanton. JCP 121, (2004): 11599.

Property Values as a Measure of Neighborhoods: An Application of Hedonic Price Theory.

PubMed

Leonard, Tammy; Powell-Wiley, Tiffany M; Ayers, Colby; Murdoch, James C; Yin, Wenyuan; Pruitt, Sandi L

2016-07-01

Researchers measuring relationships between neighborhoods and health have begun using property appraisal data as a source of information about neighborhoods. Economists have developed a rich tool kit to understand how neighborhood characteristics are quantified in appraisal values. This tool kit principally relies on hedonic (implicit) price models and has much to offer regarding the interpretation and operationalization of property appraisal data-derived neighborhood measures, which goes beyond the use of appraisal data as a measure of neighborhood socioeconomic status. We develop a theoretically informed hedonic-based neighborhood measure using residuals of a hedonic price regression applied to appraisal data in a single metropolitan area. We describe its characteristics, reliability in different types of neighborhoods, and correlation with other neighborhood measures (i.e., raw neighborhood appraisal values, census block group poverty, and observed property characteristics). We examine the association between all neighborhood measures and body mass index. The hedonic-based neighborhood measure was correlated in the expected direction with block group poverty rate and observed property characteristics. The neighborhood measure and average raw neighborhood appraisal value, but not census block group poverty, were associated with individual body mass index. We draw theoretically consistent methodology from the economics literature on hedonic price models to demonstrate how to leverage the implicit valuation of neighborhoods contained in publicly available appraisal data. Consistent measurement and application of the hedonic-based neighborhood measures in epidemiology will improve understanding of the relationships between neighborhoods and health. Researchers should proceed with a careful use of appraisal values utilizing theoretically informed methods such as this one.

Refinement of a Conceptual Model for Adolescent Readiness to Engage in End-of-Life Discussions.

PubMed

Bell, Cynthia J; Zimet, Gregory D; Hinds, Pamela S; Broome, Marion E; McDaniel, Anna M; Mays, Rose M; Champion, Victoria L

Adolescents living with incurable cancer require ongoing support to process grief, emotions, and information as disease progresses including treatment options (phase 1 clinical trials and/or hospice/palliative care). Little is known about how adolescents become ready for such discussions. The purpose of this study was to explore the process of adolescent readiness for end-of-life preparedness discussions, generating a theoretical understanding for guiding clinical conversations when curative options are limited. We explored 2 in-depth cases across time using case-study methodology. An à priori conceptual model based on current end-of-life research guided data collection and analysis. Multiple sources including in-depth adolescent interviews generated data collection on model constructs. Analysis followed a logical sequence establishing a chain of evidence linking raw data to study conclusions. Synthesis and data triangulation across cases and time led to theoretical generalizations. Initially, we proposed a linear process of readiness with 3 domains: a cognitive domain (awareness), an emotional domain (acceptance), and a behavioral domain (willingness), which preceded preparedness. Findings led to conceptual model refinement showing readiness is a dynamic internal process that interacts with preparedness. Current awareness context facilitates the type of preparedness discussions (cognitive or emotional). Furthermore, social constraint inhibits discussions. Data support theoretical understanding of the dynamism of readiness. Future research that validates adolescent conceptualization will ensure age-appropriate readiness representation. Understanding the dynamic process of readiness for engaging in end-of-life preparedness provides clinician insight for guiding discussions that facilitate shared decision making and promote quality of life for adolescents and their families.

Design and Development of a Model to Simulate 0-G Treadmill Running Using the European Space Agency's Subject Loading System

NASA Technical Reports Server (NTRS)

Caldwell, E. C.; Cowley, M. S.; Scott-Pandorf, M. M.

2010-01-01

Develop a model that simulates a human running in 0 G using the European Space Agency s (ESA) Subject Loading System (SLS). The model provides ground reaction forces (GRF) based on speed and pull-down forces (PDF). DESIGN The theoretical basis for the Running Model was based on a simple spring-mass model. The dynamic properties of the spring-mass model express theoretical vertical GRF (GRFv) and shear GRF in the posterior-anterior direction (GRFsh) during running gait. ADAMs VIEW software was used to build the model, which has a pelvis, thigh segment, shank segment, and a spring foot (see Figure 1).the model s movement simulates the joint kinematics of a human running at Earth gravity with the aim of generating GRF data. DEVELOPMENT & VERIFICATION ESA provided parabolic flight data of subjects running while using the SLS, for further characterization of the model s GRF. Peak GRF data were fit to a linear regression line dependent on PDF and speed. Interpolation and extrapolation of the regression equation provided a theoretical data matrix, which is used to drive the model s motion equations. Verification of the model was conducted by running the model at 4 different speeds, with each speed accounting for 3 different PDF. The model s GRF data fell within a 1-standard-deviation boundary derived from the empirical ESA data. CONCLUSION The Running Model aids in conducting various simulations (potential scenarios include a fatigued runner or a powerful runner generating high loads at a fast cadence) to determine limitations for the T2 vibration isolation system (VIS) aboard the International Space Station. This model can predict how running with the ESA SLS affects the T2 VIS and may be used for other exercise analyses in the future.

Detection of free nickel monocarbonyl, NiCO: rotational spectrum and structure.

PubMed

Yamazaki, Emi; Okabayashi, Toshiaki; Tanimoto, Mitsutoshi

2004-02-04

Unsaturated transition metal carbonyls are important in processes such as organometallic synthesis, homogeneous catalysis, and photochemical decomposition of organometallics. In particular, a metal monocarbonyl offers a zeroth-order model for interpreting the chemisorption of a CO molecule on a metal surface in catalytic activation processes. Quite large numbers of theoretical papers have appeared which predict spectroscopic and structural properties of transition metal carbonyls. The nickel monocarbonyl NiCO has been one of the metal carbonyls most extensively studied by the theoretical calculations. At least 50 theoretical studies have been published on this simplest transition metal carbonyl up to the present time. However, experimental evidence of NiCO is much more sparse than theoretical predictions, and the actual structure of NiCO has never been determined by any experimental methods. This Communication reports the first preparation of free nickel monocarbonyl and observation of its rotational transitions. The NiCO molecule was generated by the sputtering reaction of a Ni cathode in the presence of CO. The accurate bond lengths of Ni-C and C-O were experimentally determined from isotopic data and were compared with the theoretical predictions for the first time.

Graph Matching: Relax at Your Own Risk.

PubMed

Lyzinski, Vince; Fishkind, Donniell E; Fiori, Marcelo; Vogelstein, Joshua T; Priebe, Carey E; Sapiro, Guillermo

2016-01-01

Graph matching-aligning a pair of graphs to minimize their edge disagreements-has received wide-spread attention from both theoretical and applied communities over the past several decades, including combinatorics, computer vision, and connectomics. Its attention can be partially attributed to its computational difficulty. Although many heuristics have previously been proposed in the literature to approximately solve graph matching, very few have any theoretical support for their performance. A common technique is to relax the discrete problem to a continuous problem, therefore enabling practitioners to bring gradient-descent-type algorithms to bear. We prove that an indefinite relaxation (when solved exactly) almost always discovers the optimal permutation, while a common convex relaxation almost always fails to discover the optimal permutation. These theoretical results suggest that initializing the indefinite algorithm with the convex optimum might yield improved practical performance. Indeed, experimental results illuminate and corroborate these theoretical findings, demonstrating that excellent results are achieved in both benchmark and real data problems by amalgamating the two approaches.

Will Allis Prize Talk: Electron Collisions - Experiment, Theory and Applications

NASA Astrophysics Data System (ADS)

Bartschat, Klaus

2016-05-01

Electron collisions with atoms, ions, and molecules represent one of the very early topics of quantum mechanics. In spite of the field's maturity, a number of recent developments in detector technology (e.g., the ``reaction microscope'' or the ``magnetic-angle changer'') and the rapid increase in computational resources have resulted in significant progress in the measurement, understanding, and theoretical/computational description of few-body Coulomb problems. Close collaborations between experimentalists and theorists worldwide continue to produce high-quality benchmark data, which allow for thoroughly testing and further developing a variety of theoretical approaches. As a result, it has now become possible to reliably calculate the vast amount of atomic data needed for detailed modelling of the physics and chemistry of planetary atmospheres, the interpretation of astrophysical data, optimizing the energy transport in reactive plasmas, and many other topics - including light-driven processes, in which electrons are produced by continuous or short-pulse ultra-intense electromagnetic radiation. In this talk, I will highlight some of the recent developments that have had a major impact on the field. This will be followed by showcasing examples, in which accurate electron collision data enabled applications in fields beyond traditional AMO physics. Finally, open problems and challenges for the future will be outlined. I am very grateful for fruitful scientific collaborations with many colleagues, and the long-term financial support by the NSF through the Theoretical AMO and Computational Physics programs, as well as supercomputer resources through TeraGrid and XSEDE.

Will Allis Prize for the Study of Ionized Gases: Electron Collisions - Experiment, Theory, and Applications

NASA Astrophysics Data System (ADS)

Bartschat, Klaus

2016-09-01

Electron collisions with atoms, ions, and molecules represent one of the very early topics of quantum mechanics. In spite of the field's maturity, a number of recent developments in detector technology (e.g., the ``reaction microscope'' or the ``magnetic-angle changer'') and the rapid increase in computational resources have resulted in significant progress in the measurement, understanding, and theoretical/computational description of few-body Coulomb problems. Close collaborations between experimentalists and theorists worldwide continue to produce high-quality benchmark data, which allow for thoroughly testing and further developing a variety of theoretical approaches. As a result, it has now become possible to reliably calculate the vast amount of atomic data needed for detailed modelling of the physics and chemistry of planetary atmospheres, the interpretation of astrophysical data, optimizing the energy transport in reactive plasmas, and many other topics - including light-driven processes, in which electrons are produced by continuous or short-pulse ultra-intense electromagnetic radiation. I will highlight some of the recent developments that have had a major impact on the field. This will be followed by showcasing examples, in which accurate electron collision data enabled applications in fields beyond traditional AMO physics. Finally, open problems and challenges for the future will be outlined. I am very grateful for fruitful scientific collaborations with many colleagues, and the long-term financial support by the NSF through the Theoretical AMO and Computational Physics programs, as well as supercomputer resources through TeraGrid and XSEDE.

A theoretical signal processing framework for linear diffusion MRI: Implications for parameter estimation and experiment design.

PubMed

Varadarajan, Divya; Haldar, Justin P

2017-11-01

The data measured in diffusion MRI can be modeled as the Fourier transform of the Ensemble Average Propagator (EAP), a probability distribution that summarizes the molecular diffusion behavior of the spins within each voxel. This Fourier relationship is potentially advantageous because of the extensive theory that has been developed to characterize the sampling requirements, accuracy, and stability of linear Fourier reconstruction methods. However, existing diffusion MRI data sampling and signal estimation methods have largely been developed and tuned without the benefit of such theory, instead relying on approximations, intuition, and extensive empirical evaluation. This paper aims to address this discrepancy by introducing a novel theoretical signal processing framework for diffusion MRI. The new framework can be used to characterize arbitrary linear diffusion estimation methods with arbitrary q-space sampling, and can be used to theoretically evaluate and compare the accuracy, resolution, and noise-resilience of different data acquisition and parameter estimation techniques. The framework is based on the EAP, and makes very limited modeling assumptions. As a result, the approach can even provide new insight into the behavior of model-based linear diffusion estimation methods in contexts where the modeling assumptions are inaccurate. The practical usefulness of the proposed framework is illustrated using both simulated and real diffusion MRI data in applications such as choosing between different parameter estimation methods and choosing between different q-space sampling schemes. Copyright © 2017 Elsevier Inc. All rights reserved.

Comparing geophysical measurements to theoretical estimates for soil mixtures at low pressures

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

Wildenschild, D; Berge, P A; Berryman, K G

1999-01-15

The authors obtained good estimates of measured velocities of sand-peat samples at low pressures by using a theoretical method, the self-consistent theory of Berryman (1980), using sand and porous peat to represent the microstructure of the mixture. They were unable to obtain useful estimates with several other theoretical approaches, because the properties of the quartz, air and peat components of the samples vary over several orders of magnitude. Methods that are useful for consolidated rock cannot be applied directly to unconsolidated materials. Instead, careful consideration of microstructure is necessary to adapt the methods successfully. Future work includes comparison of themore » measured velocity values to additional theoretical estimates, investigation of Vp/Vs ratios and wave amplitudes, as well as modeling of dry and saturated sand-clay mixtures (e.g., Bonner et al., 1997, 1998). The results suggest that field data can be interpreted by comparing laboratory measurements of soil velocities to theoretical estimates of velocities in order to establish a systematic method for predicting velocities for a full range of sand-organic material mixtures at various pressures. Once the theoretical relationship is obtained, it can be used to estimate the soil composition at various depths from field measurements of seismic velocities. Additional refining of the method for relating velocities to soil characteristics is useful for development inversion algorithms.« less

Exploring Environmental Factors in Nursing Workplaces That Promote Psychological Resilience: Constructing a Unified Theoretical Model

PubMed Central

Cusack, Lynette; Smith, Morgan; Hegney, Desley; Rees, Clare S.; Breen, Lauren J.; Witt, Regina R.; Rogers, Cath; Williams, Allison; Cross, Wendy; Cheung, Kin

2016-01-01

Building nurses' resilience to complex and stressful practice environments is necessary to keep skilled nurses in the workplace and ensuring safe patient care. A unified theoretical framework titled Health Services Workplace Environmental Resilience Model (HSWERM), is presented to explain the environmental factors in the workplace that promote nurses' resilience. The framework builds on a previously-published theoretical model of individual resilience, which identified the key constructs of psychological resilience as self-efficacy, coping and mindfulness, but did not examine environmental factors in the workplace that promote nurses' resilience. This unified theoretical framework was developed using a literary synthesis drawing on data from international studies and literature reviews on the nursing workforce in hospitals. The most frequent workplace environmental factors were identified, extracted and clustered in alignment with key constructs for psychological resilience. Six major organizational concepts emerged that related to a positive resilience-building workplace and formed the foundation of the theoretical model. Three concepts related to nursing staff support (professional, practice, personal) and three related to nursing staff development (professional, practice, personal) within the workplace environment. The unified theoretical model incorporates these concepts within the workplace context, linking to the nurse, and then impacting on personal resilience and workplace outcomes, and its use has the potential to increase staff retention and quality of patient care. PMID:27242567

Sampling Assumptions in Inductive Generalization

ERIC Educational Resources Information Center

Navarro, Daniel J.; Dry, Matthew J.; Lee, Michael D.

2012-01-01

Inductive generalization, where people go beyond the data provided, is a basic cognitive capability, and it underpins theoretical accounts of learning, categorization, and decision making. To complete the inductive leap needed for generalization, people must make a key "sampling" assumption about how the available data were generated.…

Data-Driven Approaches to Empirical Discovery

DTIC Science & Technology

1988-10-31

if nece ry and identify by block number) empirical discovery history of science data-driven heuristics numeric laws theoretical terms scope of laws...to the normative side. Machine Discovery and the History of Science The history of science studies the actual path followed by scientists over the

Natural Codeswitching Knocks on the Laboratory Door

ERIC Educational Resources Information Center

Myers-Scotton, Carol

2006-01-01

This contribution discusses findings and hypotheses from empirical data of naturally-occurring codeswitching. The discussion is framed by some comparisons of the approaches of contact linguists and psycholinguists to bilingual production data. However, it emphasizes the relevance of naturally-occurring codeswitching to the theoretical questions…

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

PubMed

Midgley, Nicholas

2006-01-01

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

Measurements of rain effects on an 18-GHz dual-polarized propagation link

NASA Technical Reports Server (NTRS)

Bostian, C. W.; Stutzman, W. L.; Wiley, P. H.; Marshall, R. E.

1976-01-01

The paper presents highlights of rain attenuation and depolarization data collected between August 1972 and March 1974 in an experimental setup consisting of a 1.43-km line-of-sight path with 1.22-m diam dual-polarized parabolic reflector antennas at each end. The antennas used question-mark mounted scalar feeds oriented to transmit or receive linearly polarized 17.65-GHz signals having electric field vectors at +45 deg and -45 deg from the vertical. Rain data were collected and analyzed for 24 individual storms in which the rain rate exceeded 10 mm/hr. Received signal levels were sampled once each second and stored by a small digital computer which controlled the experiment and performed preliminary data processing. The results are compared with a theoretical model presented by Wiley et al. (1974). Experimental cross-polarization isolation data are found to agree well with theoretical values, especially at high rain rates where the antenna effects are the least significant.

Multiscale Shannon's Entropy Modeling of Orientation and Distance in Steel Fiber Micro-Tomography Data.

PubMed

Chiverton, John P; Ige, Olubisi; Barnett, Stephanie J; Parry, Tony

2017-11-01

This paper is concerned with the modeling and analysis of the orientation and distance between steel fibers in X-ray micro-tomography data. The advantage of combining both orientation and separation in a model is that it helps provide a detailed understanding of how the steel fibers are arranged, which is easy to compare. The developed models are designed to summarize the randomness of the orientation distribution of the steel fibers both locally and across an entire volume based on multiscale entropy. Theoretical modeling, simulation, and application to real imaging data are shown here. The theoretical modeling of multiscale entropy for orientation includes a proof showing the final form of the multiscale taken over a linear range of scales. A series of image processing operations are also included to overcome interslice connectivity issues to help derive the statistical descriptions of the orientation distributions of the steel fibers. The results demonstrate that multiscale entropy provides unique insights into both simulated and real imaging data of steel fiber reinforced concrete.

Skylab S-193 radar altimeter experiment analyses and results

NASA Technical Reports Server (NTRS)

Brown, G. S. (Editor)

1977-01-01

The design of optimum filtering procedures for geoid recovery is discussed. Statistical error bounds are obtained for pointing angle estimates using average waveform data. A correlation of tracking loop bandwidth with magnitude of pointing error is established. The impact of ocean currents and precipitation on the received power are shown to be measurable effects. For large sea state conditions, measurements of sigma 0 deg indicate a distinct saturation level of about 8 dB. Near-nadir less than 15 deg values of sigma 0 deg are also presented and compared with theoretical models. Examination of Great Salt Lake Desert scattering data leads to rejection of a previously hypothesized specularly reflecting surface. Pulse-to-pulse correlation results are in agreement with quasi-monochromatic optics theoretical predictions and indicate a means for estimating direction of pointing error. Pulse compression techniques for and results of estimating significant waveheight from waveform data are presented and are also shown to be in good agreement with surface truth data. A number of results pertaining to system performance are presented.

Proton Magnetic Form Factor from Existing Elastic e-p Cross Section Data

NASA Astrophysics Data System (ADS)

Ou, Longwu; Christy, Eric; Gilad, Shalev; Keppel, Cynthia; Schmookler, Barak; Wojtsekhowski, Bogdan

2015-04-01

The proton magnetic form factor GMp, in addition to being an important benchmark for all cross section measurements in hadron physics, provides critical information on proton structure. Extraction of GMp from e-p cross section data is complicated by two-photon exchange (TPE) effects, where available calculations still have large theoretical uncertainties. Studies of TPE contributions to e-p scattering have observed no nonlinear effects in Rosenbluth separations. Recent theoretical investigations show that the TPE correction goes to 0 when ɛ approaches 1, where ɛ is the virtual photon polarization parameter. In this talk, existing e-p elastic cross section data are reanalyzed by extrapolating the reduced cross section for ɛ approaching 1. Existing polarization transfer data, which is supposed to be relatively immune to TPE effects, are used to produce a ratio of electric and magnetic form factors. The extrapolated reduced cross section and polarization transfer ratio are then used to calculate GEp and GMp at different Q2 values.

Single cell proteomics in biomedicine: High-dimensional data acquisition, visualization, and analysis.

PubMed

Su, Yapeng; Shi, Qihui; Wei, Wei

2017-02-01

New insights on cellular heterogeneity in the last decade provoke the development of a variety of single cell omics tools at a lightning pace. The resultant high-dimensional single cell data generated by these tools require new theoretical approaches and analytical algorithms for effective visualization and interpretation. In this review, we briefly survey the state-of-the-art single cell proteomic tools with a particular focus on data acquisition and quantification, followed by an elaboration of a number of statistical and computational approaches developed to date for dissecting the high-dimensional single cell data. The underlying assumptions, unique features, and limitations of the analytical methods with the designated biological questions they seek to answer will be discussed. Particular attention will be given to those information theoretical approaches that are anchored in a set of first principles of physics and can yield detailed (and often surprising) predictions. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Early Warning Signals of Ecological Transitions: Methods for Spatial Patterns

PubMed Central

Brock, William A.; Carpenter, Stephen R.; Ellison, Aaron M.; Livina, Valerie N.; Seekell, David A.; Scheffer, Marten; van Nes, Egbert H.; Dakos, Vasilis

2014-01-01

A number of ecosystems can exhibit abrupt shifts between alternative stable states. Because of their important ecological and economic consequences, recent research has focused on devising early warning signals for anticipating such abrupt ecological transitions. In particular, theoretical studies show that changes in spatial characteristics of the system could provide early warnings of approaching transitions. However, the empirical validation of these indicators lag behind their theoretical developments. Here, we summarize a range of currently available spatial early warning signals, suggest potential null models to interpret their trends, and apply them to three simulated spatial data sets of systems undergoing an abrupt transition. In addition to providing a step-by-step methodology for applying these signals to spatial data sets, we propose a statistical toolbox that may be used to help detect approaching transitions in a wide range of spatial data. We hope that our methodology together with the computer codes will stimulate the application and testing of spatial early warning signals on real spatial data. PMID:24658137

Optical Activity of Benzil Crystal

NASA Astrophysics Data System (ADS)

Říha, Jan; Vyšín, Ivo

2003-09-01

Optical activity of benzil as an example of optically active matter in the crystalline state only, not in solution, is studied for the wavelengths ranging from 0.320 m to 0.585 m. Previously measured experimental data are approximated by the theoretical set of formulas, which were derived by the use of the three coupled oscillators model. The earlier published formula consisting of six terms differed from the experimental data particularly in the wavelength region (0.380-0.510) m. This formula is replaced by the twelve-term formula which was computed by our specially worked computer program for the interpretation of the experimental data of optical activity based on the Marquardt-Levenberg method of the sum of least squares minimization. The possibility of molecular contribution to the resulting optical activity of benzil is mentioned. The use of Kramers-Kronig transforms for the determination of the circular dichroism curve based on the optical rotatory dispersion result is shown. The theoretically computed circular dichroism is compared with the available experimental data.

Neutron die-away experiment for remote analysis of the surface of the moon and the planets, phase 3

NASA Technical Reports Server (NTRS)

Mills, W. R.; Allen, L. S.

1972-01-01

Continuing work on the two die-away measurements proposed to be made in the combined pulsed neutron experiment (CPNE) for analysis of lunar and planetary surfaces is described. This report documents research done during Phase 3. A general exposition of data analysis by the least-squares method and the related problem of the prediction of variance is given. A data analysis procedure for epithermal die-away data has been formulated. In order to facilitate the analysis, the number of independent material variables has been reduced to two: the hydrogen density and an effective oxygen density, the latter being determined uniquely from the nonhydrogeneous elemental composition. Justification for this reduction in the number of variables is based on a set of 27 new theoretical calculations. Work is described related to experimental calibration of the epithermal die-away measurement. An interim data analysis technique based solely on theoretical calculations seems to be adequate and will be used for future CPNE field tests.

Nonparametric analysis of Minnesota spruce and aspen tree data and LANDSAT data

NASA Technical Reports Server (NTRS)

Scott, D. W.; Jee, R.

1984-01-01

The application of nonparametric methods in data-intensive problems faced by NASA is described. The theoretical development of efficient multivariate density estimators and the novel use of color graphics workstations are reviewed. The use of nonparametric density estimates for data representation and for Bayesian classification are described and illustrated. Progress in building a data analysis system in a workstation environment is reviewed and preliminary runs presented.

A Neural-Network Clustering-Based Algorithm for Privacy Preserving Data Mining

NASA Astrophysics Data System (ADS)

Tsiafoulis, S.; Zorkadis, V. C.; Karras, D. A.

The increasing use of fast and efficient data mining algorithms in huge collections of personal data, facilitated through the exponential growth of technology, in particular in the field of electronic data storage media and processing power, has raised serious ethical, philosophical and legal issues related to privacy protection. To cope with these concerns, several privacy preserving methodologies have been proposed, classified in two categories, methodologies that aim at protecting the sensitive data and those that aim at protecting the mining results. In our work, we focus on sensitive data protection and compare existing techniques according to their anonymity degree achieved, the information loss suffered and their performance characteristics. The ℓ-diversity principle is combined with k-anonymity concepts, so that background information can not be exploited to successfully attack the privacy of data subjects data refer to. Based on Kohonen Self Organizing Feature Maps (SOMs), we firstly organize data sets in subspaces according to their information theoretical distance to each other, then create the most relevant classes paying special attention to rare sensitive attribute values, and finally generalize attribute values to the minimum extend required so that both the data disclosure probability and the information loss are possibly kept negligible. Furthermore, we propose information theoretical measures for assessing the anonymity degree achieved and empirical tests to demonstrate it.

Electron-impact excitation of He: Dependence of electron-photon coherence parameters on the principal quantum number

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

Hammond, P.; Khakoo, M.A.; McConkey, J.W.

1987-12-01

Measurements are presented representing a complete set of electron-photon polarization correlation parameters for the excitation of n /sup 1/P states of He at an incident energy of 80 eV and an electron scattering angle of 20/sup 0/. The data support the predictions of a recent theoretical paper that these parameters should exhibit little variation with n. However, disagreement in absolute values between experiment and theory indicates the need for additional theoretical input into the problem.

NASA's space physics theory program - An opportunity for collaboration

NASA Technical Reports Server (NTRS)

Vinas, Adolfo F.

1990-01-01

The field of theoretical space physics offers a unique opportunity to Latin American scientists for collaborative participation in NASA programs where the greatly increased complexity of both experimental observations and theoretical simulations requires in-depth comparisons between theory and observational data. The key problem areas identified by NASA for aggressive work in the decade of the 1990s are the nature of flows and turbulence, acceleration and transport of particles, the coupling of microphysics and macrophysics, the coupling of local and global dynamics, and nonclassical plasmas.

Flight Measurements of Helicopter Blade Motion with a Comparison between Theoretical and Experimental Results

DTIC Science & Technology

1947-04-01

EXPERS5EHTAL RESULTS By G-arry C. Myers, Jr. STHMÄRY Hi order to provide " basic data on helicopter rotor-"blade motion, photographic .records of...ABOUT 2HE AXIS OF NO FEATHERING Reason for conversion.- At the time that the " basic theoretical treatments, such as that of reference 1, were made...of the machanical means used for achieving it. This fact may be confirmed by inspection but has also been demonstrated mathematically in reference

Theoretical and Experimental Investigation of Random Gust Loads Part I : Aerodynamic Transfer Function of a Simple Wing Configuration in Incompressible Flow

NASA Technical Reports Server (NTRS)

Hakkinen, Raimo J; Richardson, A S , Jr

1957-01-01

Sinusoidally oscillating downwash and lift produced on a simple rigid airfoil were measured and compared with calculated values. Statistically stationary random downwash and the corresponding lift on a simple rigid airfoil were also measured and the transfer functions between their power spectra determined. The random experimental values are compared with theoretically approximated values. Limitations of the experimental technique and the need for more extensive experimental data are discussed.

Nonseparable Werner states in spontaneous parametric down-conversion

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

Caminati, Marco; De Martini, Francesco; Perris, Riccardo

2006-03-15

The multiphoton states generated by high-gain spontaneous parametric down-conversion (SPDC) in the presence of large losses are investigated theoretically and experimentally. The explicit form for the two-photon output state has been found to exhibit a Werner structure very resilient to losses for any value of the nonlinear gain parameter g. The theoretical results are found to be in agreement with experimental data obtained by 'entanglement witness' methods and by the quantum tomography of the state generated by a high-g SPDC.

Differential Cross Sections for Proton-Proton Elastic Scattering

NASA Technical Reports Server (NTRS)

Norman, Ryan B.; Dick, Frank; Norbury, John W.; Blattnig, Steve R.

2009-01-01

Proton-proton elastic scattering is investigated within the framework of the one pion exchange model in an attempt to model nucleon-nucleon interactions spanning the large range of energies important to cosmic ray shielding. A quantum field theoretic calculation is used to compute both differential and total cross sections. A scalar theory is then presented and compared to the one pion exchange model. The theoretical cross sections are compared to proton-proton scattering data to determine the validity of the models.

Origin of traps and charge transport mechanism in hafnia

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

Islamov, D. R., E-mail: damir@isp.nsc.ru; Gritsenko, V. A., E-mail: grits@isp.nsc.ru; Novosibirsk State University, Novosibirsk 630090

2014-12-01

In this study, we demonstrated experimentally and theoretically that oxygen vacancies are responsible for the charge transport in HfO{sub 2}. Basing on the model of phonon-assisted tunneling between traps, and assuming that the electron traps are oxygen vacancies, good quantitative agreement between the experimental and theoretical data of current-voltage characteristics was achieved. The thermal trap energy of 1.25 eV in HfO{sub 2} was determined based on the charge transport experiments.

Modeling the History of Astronomy: Ptolemy, Copernicus, and Tycho

NASA Astrophysics Data System (ADS)

Timberlake, Todd K.

This paper describes a series of activities in which students investigate and use the Ptolemaic, Copernican, and Tychonic models of planetary motion. The activities guide students through using open source software to discover important observational facts, learn the necessary vocabulary, understand the fundamental properties of different theoretical models, and relate the theoretical models to observational data. After completing these activities students can make observations of a fictitious solar system and use those observations to construct models for that system.

Measurement of strains at high temperatures by means of electro-optics holography

NASA Astrophysics Data System (ADS)

Sciammarella, Cesar A.; Bhat, G.; Vaitekunas, Jeffrey

Electro-optics holographic-moire interferometry is used to measure strains at temperatures up to 1000 C. A description of the instrumentation developed to carry out the measurements is given. The data processing technique is also explained. Main problems encountered in recording patterns at high temperatures are analyzed and possible solutions are outlined. Optical results are compared with strain gage values obtained with instrumented specimens and with theoretical results. Very good agreement is found between optical, strain gage and theoretical results.

Measurement of strains at high temperatures by means of electro-optics holography

NASA Technical Reports Server (NTRS)

Sciammarella, Cesar A.; Bhat, G.; Vaitekunas, Jeffrey

1991-01-01

Electro-optics holographic-moire interferometry is used to measure strains at temperatures up to 1000 C. A description of the instrumentation developed to carry out the measurements is given. The data processing technique is also explained. Main problems encountered in recording patterns at high temperatures are analyzed and possible solutions are outlined. Optical results are compared with strain gage values obtained with instrumented specimens and with theoretical results. Very good agreement is found between optical, strain gage and theoretical results.

Assessing the formability of metallic sheets by means of localized and diffuse necking models

NASA Astrophysics Data System (ADS)

Comşa, Dan-Sorin; Lǎzǎrescu, Lucian; Banabic, Dorel

2016-10-01

The main objective of the paper consists in elaborating a unified framework that allows the theoretical assessment of sheet metal formability. Hill's localized necking model and the Extended Maximum Force Criterion proposed by Mattiasson, Sigvant, and Larsson have been selected for this purpose. Both models are thoroughly described together with their solution procedures. A comparison of the theoretical predictions with experimental data referring to the formability of a DP600 steel sheet is also presented by the authors.

ERRATUM: High-resolution electron spectroscopy of the 1s23lnl' Be-like series in oxygen and neon. Test of theoretical data: I. Experimental method and theoretical background

NASA Astrophysics Data System (ADS)

Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Bordenave-Montesquieu, D.

2003-02-01

The J. Phys. B publishing team would like to apologize to the authors of the above paper. In this paper, references [42] and [43] were printed incorrectly. The correct references are: [42] Bordenave-Montesquieu A, Gleizes A and Benoit-Cattin P 1982 Phys. Rev. A 25 245-67 [43] Bordenave-Montesquieu A et al 1987 J. Phys. B: At. Mol. Phys. 20 L695-703.

Analysis of multimode fiber bundles for endoscopic spectral-domain optical coherence tomography

PubMed Central

Risi, Matthew D.; Makhlouf, Houssine; Rouse, Andrew R.; Gmitro, Arthur F.

2016-01-01

A theoretical analysis of the use of a fiber bundle in spectral-domain optical coherence tomography (OCT) systems is presented. The fiber bundle enables a flexible endoscopic design and provides fast, parallelized acquisition of the OCT data. However, the multimode characteristic of the fibers in the fiber bundle affects the depth sensitivity of the imaging system. A description of light interference in a multimode fiber is presented along with numerical simulations and experimental studies to illustrate the theoretical analysis. PMID:25967012

Towards systemic theories in biological psychiatry.

PubMed

Bender, W; Albus, M; Möller, H-J; Tretter, F

2006-02-01

Although still rather controversial, empirical data on the neurobiology of schizophrenia have reached a degree of complexity that makes it hard to obtain a coherent picture of the malfunctions of the brain in schizophrenia. Theoretical neuropsychiatry should therefore use the tools of theoretical sciences like cybernetics, informatics, computational neuroscience or systems science. The methodology of systems science permits the modeling of complex dynamic nonlinear systems. Such procedures might help us to understand brain functions and the disorders and actions of psychiatric drugs better.

Security-aware Virtual Machine Allocation in the Cloud: A Game Theoretic Approach

DTIC Science & Technology

2015-01-13

predecessor, however, this paper used empirical evidence and actual data from running experiments on the Amazon EC2 cloud . They began by running all 5...is through effective VM allocation management of the cloud provider to ensure delivery of maximum security for all cloud users. The negative... Cloud : A Game Theoretic Approach 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f

Interprocess Communication in Highly Distributed Systems - A Workshop Report - 20 to 22, November 1978.

DTIC Science & Technology

1979-12-01

Links between processes can be aLlocated strictLy to controL functions. In fact, the degree of separation of control and data is an important research is...delays or Loss of control messages. Cognoscienti agree that message-passing IPC schemes are equivalent in "power" to schemes which employ shared...THEORETICAL WORK Page 55 SECTION 6 THEORETICAL WORK 6.1 WORKING GRUP JIM REP.OR STRUCTURE of Discussion: Distributed system without central (or any) control

Stresses around large cut-outs in torsion boxes

NASA Technical Reports Server (NTRS)

Kuhn, Paul; Moggio, Edwin M

1946-01-01

The problem treated here is that of the stresses in a torsion box with a large rectangular cut-out. The theoretical treatment is confined to stresses termed the 'primary stresses.' Comparison of the theoretical results with strain gage data for a series of cut-outs indicates that the primary stresses are probably adequate for designing the major part of the structure, the only important exception being in the design of the cover sheet in the full section adjacent to the cut-out.

Uncertainties on exclusive diffractive Higgs boson and jet production at the LHC

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

Dechambre, A.; CEA/IRFU/Service de physique des particules, CEA/Saclay; Kepka, O.

2011-03-01

Two theoretical descriptions of exclusive diffractive jets and Higgs production at the LHC were implemented into the FPMC generator: the Khoze, Martin, Ryskin model and the Cudell, Hernandez, Ivanov, Dechambre exclusive model. We then study the uncertainties. We compare their predictions to the CDF measurement and discuss the possibility of constraining the exclusive Higgs production at the LHC with early measurements of exclusive jets. We show that the present theoretical uncertainties can be reduced with such data by a factor of 5.

Gravitational Waves from Coalescing Binary Black Holes: Theoretical and Experimental Challenges

ScienceCinema

Damour, Thibault

2018-05-22

A network of ground-based interferometric gravitational wave detectors (LIGO/VIRGO/GEO/...) is currently taking data near its planned sensitivity. Coalescing black hole binaries are among the most promising, and most exciting, gravitational wave sources for these detectors. The talk will review the theoretical and experimental challenges that must be met in order to successfully detect gravitational waves from coalescing black hole binaries, and to be able to reliably measure the physical parameters of the source (masses, spins, ...).

The Electronic Spectra of Phthalocyanine Radical Anions and Cations.

DTIC Science & Technology

1985-03-01

415. (10) McHugh , A.J., Gouterman, M., Weiss, J., Theoret. Chim. Acta, 1972, 24, 346. (11) Henriksson, A. and Sundbom, M., Theoret. Chim. Acta, 1972, 27...oxidisable. The spectra for the nickel (II) Pc species exactly parallel the main group data since no change in oxidation state of the nickel ion is expect- ed18...and no charge transfer is expected in the region under study. 6 In summary, the main group complexes, nickel and cobalt species all have parallel

Experimental Cross Sections of Fission Fragments of Thorium-232 Irradiated with Medium-Energy Protons

NASA Astrophysics Data System (ADS)

Libanova, O. N.; Golubeva, E. S.; Ermolaev, S. V.; Matushko, V. L.; Botvina, A. S.

2018-05-01

This paper is focused on fission of Th-232 nuclei induced by protons with energies ranging from 20 to 140 MeV. This energy range is the most informative for studying the competition between asymmetric and symmetric fission modes. Experimental cross sections of production of radionuclides in thorium targets have been determined a year after irradiation. The corresponding theoretical values are calculated using the cascade-evaporation-fission model. The theoretical and experimental cross sections (literature data included) are compared.

Systematics of intermediate-energy single-nucleon removal cross sections

NASA Astrophysics Data System (ADS)

Tostevin, J. A.; Gade, A.

2014-11-01

There is now a large and increasing body of experimental data and theoretical analyses for reactions that remove a single nucleon from an intermediate-energy beam of neutron- or proton-rich nuclei. In each such measurement, one obtains the inclusive cross section for the population of all bound final states of the mass A -1 reaction residue. These data, from different regions of the nuclear chart, and that involve weakly and strongly bound nucleons, are compared with theoretical expectations. These calculations include an approximate treatment of the reaction dynamics and shell-model descriptions of the projectile initial state, the bound final states of the residues, and the single-particle strengths computed from their overlap functions. The results are discussed in the light of recent data, more exclusive tests of the eikonal dynamical description, and calculations that take input from more microscopic nuclear structure models.

Bridging experiment and theory: A template for unifying NMR data and electronic structure calculations

DOE PAGES

Brown, David M. L.; Cho, Herman; de Jong, Wibe A.

2016-02-09

Here, the testing of theoretical models with experimental data is an integral part of the scientific method, and a logical place to search for new ways of stimulating scientific productivity. Often experiment/theory comparisons may be viewed as a workflow comprised of well-defined, rote operations distributed over several distinct computers, as exemplified by the way in which predictions from electronic structure theories are evaluated with results from spectroscopic experiments. For workflows such as this, which may be laborious and time consuming to perform manually, software that could orchestrate the operations and transfer results between computers in a seamless and automated fashionmore » would offer major efficiency gains. Such tools also promise to alter how researchers interact with data outside their field of specialization by, e.g., making raw experimental results more accessible to theorists, and the outputs of theoretical calculations more readily comprehended by experimentalists.« less

Vector and Tensor Analyzing Powers in Deuteron-Proton Breakup

NASA Astrophysics Data System (ADS)

Stephan, E.; Kistryn, St.; Kalantar-Nayestanaki, N.; Biegun, A.; Bodek, K.; Ciepał, I.; Deltuva, A.; Eslami-Kalantari, M.; Fonseca, A. C.; Gasparić, I.; Golak, J.; Jamróz, B.; Joulaeizadeh, L.; Kamada, H.; Kiš, M.; Kłos, B.; Kozela, A.; Mahjour-Shafiei, M.; Mardanpour, H.; Messchendorp, J.; Micherdzińska, A.; Moeini, H.; Nogga, A.; Ramazani-Moghaddam-Arani, A.; Skibiński, R.; Sworst, R.; Witała, H.; Zejma, J.

2011-05-01

High precision data for vector and tensor analyzing powers of the {^1{H}({d},{{pp}}){n}} breakup reaction at 130 and 100 MeV deuteron beam energies have been measured in a large fraction of the phase space. They are compared to the theoretical predictions based on various approaches to describe the three nucleon (3N) system dynamics. Theoretical predictions describe very well the vector analyzing power data, with no need to include any three-nucleon force effects for these observables. Tensor analyzing powers can be also very well reproduced by calculations in most of the studied region, but locally certain discrepancies are observed. At 130 MeV for A xy such discrepancies usually appear, or are enhanced, when model 3N forces are included. Predicted effects of 3NFs are much lower at 100 MeV and at this energy equally good consistency between the data and the calculations is obtained with or without 3NFs.

Bridging experiment and theory: A template for unifying NMR data and electronic structure calculations

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

Brown, David M. L.; Cho, Herman; de Jong, Wibe A.

Here, the testing of theoretical models with experimental data is an integral part of the scientific method, and a logical place to search for new ways of stimulating scientific productivity. Often experiment/theory comparisons may be viewed as a workflow comprised of well-defined, rote operations distributed over several distinct computers, as exemplified by the way in which predictions from electronic structure theories are evaluated with results from spectroscopic experiments. For workflows such as this, which may be laborious and time consuming to perform manually, software that could orchestrate the operations and transfer results between computers in a seamless and automated fashionmore » would offer major efficiency gains. Such tools also promise to alter how researchers interact with data outside their field of specialization by, e.g., making raw experimental results more accessible to theorists, and the outputs of theoretical calculations more readily comprehended by experimentalists.« less

How Physicists Made Stable Lévy Processes Physically Plausible

NASA Astrophysics Data System (ADS)

Schinckus, Christophe

2013-08-01

Stable Lévy processes have very interesting properties for describing the complex behaviour of non-equilibrium dissipative systems such as turbulence, anomalous diffusion or financial markets. However, although these processes better fit the empirical data, some of their statistical properties can raise several theoretical problems in empirical applications because they generate infinite variables. Econophysicists have developed statistical solutions to make these processes physically plausible. This paper presents a review of these analytical solutions (truncations) for stable Lévy processes and how econophysicists transformed them into data-driven processes. The evolution of these analytical solutions is presented as a progressive research programme provided by (econo)physicists for theoretical problems encountered in financial economics in the 1960s and the 1970s.

Experimental and theoretical study of the operation of longitudinal sidewalls in reinforced concrete superstructures

NASA Astrophysics Data System (ADS)

Bokarev, Sergey; Efimov, Stefan

2017-11-01

In the present article, we report results of a laboratory experimental study of reinforced-concrete superstructure fragments with extended longitudinal boxing sidewalls. The study included laboratory tests and numerical experiments performed using a finite element model of fragments generated in specialized simulation software. The distribution of horizontal pressures over the height of longitudinal boxing sidewalls, the dependence of the bending moment in the root section of the sidewalls on the ballast-bed thickness under sleepers, and some other characteristics were examined. The results of the experimental and theoretical study have shown a good convergence of obtained data to each other and to the data obtained by an improved engineering calculation procedure proposed by the present authors.

Probability density function learning by unsupervised neurons.

PubMed

Fiori, S

2001-10-01

In a recent work, we introduced the concept of pseudo-polynomial adaptive activation function neuron (FAN) and presented an unsupervised information-theoretic learning theory for such structure. The learning model is based on entropy optimization and provides a way of learning probability distributions from incomplete data. The aim of the present paper is to illustrate some theoretical features of the FAN neuron, to extend its learning theory to asymmetrical density function approximation, and to provide an analytical and numerical comparison with other known density function estimation methods, with special emphasis to the universal approximation ability. The paper also provides a survey of PDF learning from incomplete data, as well as results of several experiments performed on real-world problems and signals.

Theoretical Performance of Liquid Hydrogen with Liquid Oxygen as a Rocket Propellant

NASA Technical Reports Server (NTRS)

Gordon, Sanford; McBride, Bonnie J.

1959-01-01

Theoretical rocket performance for both equilibrium and frozen composition during expansion was calculated for the propellant combination liquid hydrogen and liquid oxygen at four chamber pressures (60, 150, 300, and 600 lb/sq in. abs) and a wide range of pressure ratios (1 to 4000) and oxidant-fuel ratios (1.190 to 39.683). Data are given to estimate performance parameters at chamber pressures other than those for which data are tabulated. The parameters included are specific impulse, specific impulse in vacuum, combustion-chamber temperature, nozzle-exit temperature, molecular weight, molecular-weight derivatives, characteristic velocity, coefficient of thrust, ratio of nozzle-exit area to throat area, specific heat at constant pressure, isentropic exponent, viscosity, thermal conductivity, Mach number, and equilibrium gas compositions.

Electron impact ionization of metastable 2P-state hydrogen atoms in the coplanar geometry

NASA Astrophysics Data System (ADS)

Dhar, S.; Nahar, N.

Triple differential cross sections (TDCS) for the ionization of metastable 2P-state hydrogen atoms by electrons are calculated for various kinematic conditions in the asymmetric coplanar geometry. In this calculation, the final state is described by a multiple-scattering theory for ionization of hydrogen atoms by electrons. Results show qualitative agreement with the available experimental data and those of other theoretical computational results for ionization of hydrogen atoms from ground state, and our first Born results. There is no available other theoretical results and experimental data for ionization of hydrogen atoms from the 2P state. The present study offers a wide scope for the experimental study for ionization of hydrogen atoms from the metastable 2P state.

Long-term radiation effects on GaAs solar cell characteristics

NASA Technical Reports Server (NTRS)

Heinbockel, J. H.; Doviak, M. J.

1978-01-01

This report investigates preliminary design considerations which should be considered for a space experiment involving Gallium Arsenide (GaAs) solar cells. The electron radiation effects on GaAs solar cells were conducted in a laboratory environment, and a statistical analysis of the data is presented. In order to augment the limited laboratory data, a theoretical investigation of the effect of radiation on GaAs solar cells is also developed. The results of this study are empirical prediction equations which can be used to estimate the actual damage of electrical characteristics in a space environment. The experimental and theoretical studies also indicate how GaAs solar cell parameters should be designed in order to withstand the effects of electron radiation damage.

On the stellar rotation-activity connection

NASA Technical Reports Server (NTRS)

Rosner, R.

1983-01-01

The relationship between rotation rates and surface activity in late-type dwarf stars is explored in a survey of recent theoretical and observational studies. Current theoretical models of stellar-magnetic-field production and coronal activity are examined, including linear kinematic dynamo theory, nonlinear dynamos using approximations, and full numerical simulations of the MHD equations; and some typical results are presented graphically. The limitations of the modeling procedures and the constraints imposed by the physics are indicated. The statistical techniques used in establishing correlations between various observational parameters are analyzed critically, and the methods developed for quasar luminosity functions by Avni et al. (1980) are used to evaluate the effects of upper detection bounds, incomplete samples, and missing data for the case of rotation and X-ray flux data.

The response function of modulated grid Faraday cup plasma instruments

NASA Technical Reports Server (NTRS)

Barnett, A.; Olbert, S.

1986-01-01

Modulated grid Faraday cup plasma analyzers are a very useful tool for making in situ measurements of space plasmas. One of their great attributes is that their simplicity permits their angular response function to be calculated theoretically. An expression is derived for this response function by computing the trajectories of the charged particles inside the cup. The Voyager Plasma Science (PLS) experiment is used as a specific example. Two approximations to the rigorous response function useful for data analysis are discussed. The theoretical formulas were tested by multi-sensor analysis of solar wind data. The tests indicate that the formulas represent the true cup response function for all angles of incidence with a maximum error of only a few percent.

Joint production and substitution in timber supply: a panel data analysis

Treesearch

Torjus F Bolkesjo; Joseph Buongiorno; Birger Solberg

2010-01-01

Supply equations for sawlog and pulpwood were developed with a panel of data from 102 Norwegian municipalities, observed from 1980 to 2000. Static and dynamic models were estimated by cross-section, time-series andpanel data methods. A static model estimated by first differencing gavethe best overall results in terms of theoretical expectations, pattern ofresiduals,...

Point source detection in infrared astronomical surveys

NASA Technical Reports Server (NTRS)

Pelzmann, R. F., Jr.

1977-01-01

Data processing techniques useful for infrared astronomy data analysis systems are reported. This investigation is restricted to consideration of data from space-based telescope systems operating as survey instruments. In this report the theoretical background for specific point-source detection schemes is completed, and the development of specific algorithms and software for the broad range of requirements is begun.

A microcomputer program for analysis of nucleic acid hybridization data

PubMed Central

Green, S.; Field, J.K.; Green, C.D.; Beynon, R.J.

1982-01-01

The study of nucleic acid hybridization is facilitated by computer mediated fitting of theoretical models to experimental data. This paper describes a non-linear curve fitting program, using the `Patternsearch' algorithm, written in BASIC for the Apple II microcomputer. The advantages and disadvantages of using a microcomputer for local data processing are discussed. Images PMID:7071017

Unbreakable distributed storage with quantum key distribution network and password-authenticated secret sharing

PubMed Central

Fujiwara, M.; Waseda, A.; Nojima, R.; Moriai, S.; Ogata, W.; Sasaki, M.

2016-01-01

Distributed storage plays an essential role in realizing robust and secure data storage in a network over long periods of time. A distributed storage system consists of a data owner machine, multiple storage servers and channels to link them. In such a system, secret sharing scheme is widely adopted, in which secret data are split into multiple pieces and stored in each server. To reconstruct them, the data owner should gather plural pieces. Shamir’s (k, n)-threshold scheme, in which the data are split into n pieces (shares) for storage and at least k pieces of them must be gathered for reconstruction, furnishes information theoretic security, that is, even if attackers could collect shares of less than the threshold k, they cannot get any information about the data, even with unlimited computing power. Behind this scenario, however, assumed is that data transmission and authentication must be perfectly secure, which is not trivial in practice. Here we propose a totally information theoretically secure distributed storage system based on a user-friendly single-password-authenticated secret sharing scheme and secure transmission using quantum key distribution, and demonstrate it in the Tokyo metropolitan area (≤90 km). PMID:27363566

Unbreakable distributed storage with quantum key distribution network and password-authenticated secret sharing.

PubMed

Fujiwara, M; Waseda, A; Nojima, R; Moriai, S; Ogata, W; Sasaki, M

2016-07-01

Distributed storage plays an essential role in realizing robust and secure data storage in a network over long periods of time. A distributed storage system consists of a data owner machine, multiple storage servers and channels to link them. In such a system, secret sharing scheme is widely adopted, in which secret data are split into multiple pieces and stored in each server. To reconstruct them, the data owner should gather plural pieces. Shamir's (k, n)-threshold scheme, in which the data are split into n pieces (shares) for storage and at least k pieces of them must be gathered for reconstruction, furnishes information theoretic security, that is, even if attackers could collect shares of less than the threshold k, they cannot get any information about the data, even with unlimited computing power. Behind this scenario, however, assumed is that data transmission and authentication must be perfectly secure, which is not trivial in practice. Here we propose a totally information theoretically secure distributed storage system based on a user-friendly single-password-authenticated secret sharing scheme and secure transmission using quantum key distribution, and demonstrate it in the Tokyo metropolitan area (≤90 km).