Historical gaseous and primary aerosol emissions in the United States from 1990-2010

EPA Science Inventory

An accurate description of emissions is crucial for model simulations to reproduce and interpret observed phenomena over extended time periods. In this study, we used an approach based on activity data to develop a consistent series of spatially resolved emissions in the United S...

High Accuracy Transistor Compact Model Calibrations

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

Hembree, Charles E.; Mar, Alan; Robertson, Perry J.

2015-09-01

Typically, transistors are modeled by the application of calibrated nominal and range models. These models consists of differing parameter values that describe the location and the upper and lower limits of a distribution of some transistor characteristic such as current capacity. Correspond- ingly, when using this approach, high degrees of accuracy of the transistor models are not expected since the set of models is a surrogate for a statistical description of the devices. The use of these types of models describes expected performances considering the extremes of process or transistor deviations. In contrast, circuits that have very stringent accuracy requirementsmore » require modeling techniques with higher accuracy. Since these accurate models have low error in transistor descriptions, these models can be used to describe part to part variations as well as an accurate description of a single circuit instance. Thus, models that meet these stipulations also enable the calculation of quantifi- cation of margins with respect to a functional threshold and uncertainties in these margins. Given this need, new model high accuracy calibration techniques for bipolar junction transis- tors have been developed and are described in this report.« less

Technical description of endoscopic ultrasonography with fine-needle aspiration for the staging of lung cancer.

PubMed

Kramer, Henk; van Putten, John W G; Douma, W Rob; Smidt, Alie A; van Dullemen, Hendrik M; Groen, Harry J M

2005-02-01

Endoscopic ultrasonography (EUS) is a novel method for staging of the mediastinum in lung cancer patients. The recent development of linear scanners enables safe and accurate fine-needle aspiration (FNA) of mediastinal and upper abdominal structures under real-time ultrasound guidance. However, various methods and equipment for mediastinal EUS-FNA are being used throughout the world, and a detailed description of the procedures is lacking. A thorough description of linear EUS-FNA is needed. A step-by-step description of the linear EUS-FNA procedure as performed in our hospital will be provided. Ultrasonographic landmarks will be shown on images. The procedure will be related to published literature, with a systematic literature search. EUS-FNA is an outpatient procedure under conscious sedation. The typical linear EUS-FNA procedure starts with examination of the retroperitoneal area. After this, systematic scanning of the mediastinum is performed at intervals of 1-2cm. Abnormalities are noted, and FNA of the abnormalities can be performed. Specimens are assessed for cellularity on-site. The entire procedure takes 45-60 min. EUS-FNA is minimally invasive, accurate, and fast. Anatomical areas can be reached that are inaccessible for cervical mediastinoscopy. EUS-FNA is useful for the staging of lung cancer or the assessment and diagnosis of abnormalities in the posterior mediastinum.

Development of a computer code for calculating the steady super/hypersonic inviscid flow around real configurations. Volume 2: Code description

NASA Technical Reports Server (NTRS)

Marconi, F.; Yaeger, L.

1976-01-01

A numerical procedure was developed to compute the inviscid super/hypersonic flow field about complex vehicle geometries accurately and efficiently. A second-order accurate finite difference scheme is used to integrate the three-dimensional Euler equations in regions of continuous flow, while all shock waves are computed as discontinuities via the Rankine-Hugoniot jump conditions. Conformal mappings are used to develop a computational grid. The effects of blunt nose entropy layers are computed in detail. Real gas effects for equilibrium air are included using curve fits of Mollier charts. Typical calculated results for shuttle orbiter, hypersonic transport, and supersonic aircraft configurations are included to demonstrate the usefulness of this tool.

Dielectric Screening Meets Optimally Tuned Density Functionals.

PubMed

Kronik, Leeor; Kümmel, Stephan

2018-04-17

A short overview of recent attempts at merging two independently developed methods is presented. These are the optimal tuning of a range-separated hybrid (OT-RSH) functional, developed to provide an accurate first-principles description of the electronic structure and optical properties of gas-phase molecules, and the polarizable continuum model (PCM), developed to provide an approximate but computationally tractable description of a solvent in terms of an effective dielectric medium. After a brief overview of the OT-RSH approach, its combination with the PCM as a potentially accurate yet low-cost approach to the study of molecular assemblies and solids, particularly in the context of photocatalysis and photovoltaics, is discussed. First, solvated molecules are considered, with an emphasis on the challenge of balancing eigenvalue and total energy trends. Then, it is shown that the same merging of methods can also be used to study the electronic and optical properties of molecular solids, with a similar discussion of the pros and cons. Tuning of the effective scalar dielectric constant as one recent approach that mitigates some of the difficulties in merging the two approaches is considered. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

How directions of route descriptions influence orientation specificity: the contribution of spatial abilities.

PubMed

Meneghetti, Chiara; Muffato, Veronica; Varotto, Diego; De Beni, Rossana

2017-03-01

Previous studies found mental representations of route descriptions north-up oriented when egocentric experience (given by the protagonist's initial view) was congruent with the global reference system. This study examines: (a) the development and maintenance of representations derived from descriptions when the egocentric and global reference systems are congruent or incongruent; and (b) how spatial abilities modulate these representations. Sixty participants (in two groups of 30) heard route descriptions of a protagonist's moves starting from the bottom of a layout and headed mainly northwards (SN description) in one group, and headed south from the top (NS description, the egocentric view facing in the opposite direction to the canonical north) in the other. Description recall was tested with map drawing (after hearing the description a first and second time; i.e. Time 1 and 2) and South-North (SN) or North-South (NS) pointing tasks; and spatial objective tasks were administered. The results showed that: (a) the drawings were more rotated in NS than in SN descriptions, and performed better at Time 2 than at Time 1 for both types of description; SN pointing was more accurate than NS pointing for the SN description, while SN and NS pointing accuracy did not differ for the NS description; (b) spatial (rotation) abilities were related to recall accuracy for both types of description, but were more so for the NS ones. Overall, our results showed that the way in which spatial information is conveyed (with/without congruence between the egocentric and global reference systems) and spatial abilities influence the development and maintenance of mental representations.

Sequentially Simulated Outcomes: Kind Experience versus Nontransparent Description

ERIC Educational Resources Information Center

Hogarth, Robin M.; Soyer, Emre

2011-01-01

Recently, researchers have investigated differences in decision making based on description and experience. We address the issue of when experience-based judgments of probability are more accurate than are those based on description. If description is well understood ("transparent") and experience is misleading ("wicked"), it…

Meta-Analysis of the Effects of Early Education Interventions on Cognitive and Social Development

ERIC Educational Resources Information Center

Camilli, Gregory; Vargas, Sadako; Ryan, Sharon; Barnett, W. Steven

2010-01-01

Background/Context: There is much current interest in the impact of early childhood education programs on preschoolers and, in particular, on the magnitude of cognitive and affective gains. Purpose/Objective/Research Question/Focus of Study: Because this new segment of public education requires significant funding, accurate descriptions are…

Testing DRAINMOD-FOREST for predicting evapotranspiration in a mid-rotation pine plantation

Treesearch

Shiying Tian; Mohamed A. Youssef; Ge Sun; George M. Chescheir; Asko Noormets; Devendra M. Amatya; R. Wayne Skaggs; John S. King; Steve McNulty; Michael Gavazzi; Guofang Miao; Jean-Christophe Domec

2015-01-01

Evapotranspiration (ET) is a key component of the hydrologic cycle in terrestrial ecosystems and accurate description of ET processes is essential for developing reliable ecohydrological models. This study investigated the accuracy of ET prediction by the DRAINMOD-FOREST after its calibration/validation for predicting commonly measured hydrological variables. The model...

The first accurate description of an aurora

NASA Astrophysics Data System (ADS)

Schröder, Wilfried

2006-12-01

As technology has advanced, the scientific study of auroral phenomena has increased by leaps and bounds. A look back at the earliest descriptions of aurorae offers an interesting look into how medieval scholars viewed the subjects that we study.Although there are earlier fragmentary references in the literature, the first accurate description of the aurora borealis appears to be that published by the German Catholic scholar Konrad von Megenberg (1309-1374) in his book Das Buch der Natur (The Book of Nature). The book was written between 1349 and 1350.

The application of ANN for zone identification in a complex reservoir

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

White, A.C.; Molnar, D.; Aminian, K.

1995-12-31

Reservoir characterization plays a critical role in appraising the economic success of reservoir management and development methods. Nearly all reservoirs show some degree of heterogeneity, which invariably impacts production. As a result, the production performance of a complex reservoir cannot be realistically predicted without accurate reservoir description. Characterization of a heterogeneous reservoir is a complex problem. The difficulty stems from the fact that sufficient data to accurately predict the distribution of the formation attributes are not usually available. Generally the geophysical logs are available from a considerable number of wells in the reservoir. Therefore, a methodology for reservoir description andmore » characterization utilizing only well logs data represents a significant technical as well as economic advantage. One of the key issues in the description and characterization of heterogeneous formations is the distribution of various zones and their properties. In this study, several artificial neural networks (ANN) were successfully designed and developed for zone identification in a heterogeneous formation from geophysical well logs. Granny Creek Field in West Virginia has been selected as the study area in this paper. This field has produced oil from Big Injun Formation since the early 1900`s. The water flooding operations were initiated in the 1970`s and are currently still in progress. Well log data on a substantial number of wells in this reservoir were available and were collected. Core analysis results were also available from a few wells. The log data from 3 wells along with the various zone definitions were utilized to train the networks for zone recognition. The data from 2 other wells with previously determined zones, based on the core and log data, were then utilized to verify the developed networks predictions. The results indicated that ANN can be a useful tool for accurately identifying the zones in complex reservoirs.« less

Comparative Analysis of the Relative Validity for Subjective Time Rating Scales. Final Report.

ERIC Educational Resources Information Center

Carpenter, James B.; And Others

Since the accuracy and validity of occupational data may vary according to the rating scale format employed, the first phase of the research described in the report employed hypothetical job descriptions from which accurate criterion data could be generated. The second phase of the research required developing an occupational survey instrument…

Computing arrival times of firefighting resources for initial attack

Treesearch

Romain M. Mees

1978-01-01

Dispatching of firefighting resources requires instantaneous or precalculated decisions. A FORTRAN computer program has been developed that can provide a list of resources in order of computed arrival time for initial attack on a fire. The program requires an accurate description of the existing road system and a list of all resources available on a planning unit....

Accuracy of quadrat sampling in studying forest reproduction on cut-over areas

Treesearch

I. T. Haig

1929-01-01

The quadrat method, first introduced into ecological studies by Pound and Clements in i898, has been adopted by both foresters and ecologists as one of the most accurate means of studying the occurrence, distribution, and development of vegetation (Clements, '05; Weaver, '18). This method is unquestionably more precise than the descriptive method which it...

Reporting guidelines for primary research: Saying what you did.

PubMed

O'Connor, Annette

2010-12-01

Reporting guidelines aim to facilitate publication of a full and accurate description of research conducted. The motivations for a full and accurate description of research is to enable reproduction of the study, assessment of bias, extraction of data from the study, and to fulfill an ethical obligation to maximize the utility of research findings. Many reporting guidelines exist and most are based on a specific study design such as randomized controlled trials (CONSORT statement) and observational studies (STROBE statement). The REFLECT statement focuses on randomized control trials in livestock and food safety studies. The REFLECT statement has increased emphasis on conveying information about animal housing, group level allocation and challenge studies. Guidelines can be used by authors, reviewers and editors to provide readers with a full and accurate description of the work conducted. Copyright © 2010 Elsevier B.V. All rights reserved.

Total Protein Content Determination of Microalgal Biomass by Elemental Nitrogen Analysis and a Dedicated Nitrogen-to-Protein Conversion Factor

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

Laurens, Lieve M; Olstad-Thompson, Jessica L; Templeton, David W

Accurately determining protein content is important in the valorization of algal biomass in food, feed, and fuel markets, where these values are used for component balance calculations. Conversion of elemental nitrogen to protein is a well-accepted and widely practiced method, but depends on developing an applicable nitrogen-to-protein conversion factor. The methodology reported here covers the quantitative assessment of the total nitrogen content of algal biomass and a description of the methodology that underpins the accurate de novo calculation of a dedicated nitrogen-to-protein conversion factor.

Soft Biometrics; Human Identification Using Comparative Descriptions.

PubMed

Reid, Daniel A; Nixon, Mark S; Stevenage, Sarah V

2014-06-01

Soft biometrics are a new form of biometric identification which use physical or behavioral traits that can be naturally described by humans. Unlike other biometric approaches, this allows identification based solely on verbal descriptions, bridging the semantic gap between biometrics and human description. To permit soft biometric identification the description must be accurate, yet conventional human descriptions comprising of absolute labels and estimations are often unreliable. A novel method of obtaining human descriptions will be introduced which utilizes comparative categorical labels to describe differences between subjects. This innovative approach has been shown to address many problems associated with absolute categorical labels-most critically, the descriptions contain more objective information and have increased discriminatory capabilities. Relative measurements of the subjects' traits can be inferred from comparative human descriptions using the Elo rating system. The resulting soft biometric signatures have been demonstrated to be robust and allow accurate recognition of subjects. Relative measurements can also be obtained from other forms of human representation. This is demonstrated using a support vector machine to determine relative measurements from gait biometric signatures-allowing retrieval of subjects from video footage by using human comparisons, bridging the semantic gap.

Scalable and Accurate SMT-based Model Checking of Data Flow Systems

DTIC Science & Technology

2013-10-30

guided by the semantics of the description language . In this project we developed instead a complementary and novel approach based on a somewhat brute...believe that our approach could help considerably in expanding the reach of abstract interpretation techniques to a variety of tar- get languages , as...project. We worked on developing a framework for compositional verification that capitalizes on the fact that data-flow languages , such as Lustre, have

The A in SAFT: developing the contribution of association to the Helmholtz free energy within a Wertheim TPT1 treatment of generic Mie fluids

NASA Astrophysics Data System (ADS)

Dufal, Simon; Lafitte, Thomas; Haslam, Andrew J.; Galindo, Amparo; Clark, Gary N. I.; Vega, Carlos; Jackson, George

2015-05-01

An accurate representation of molecular association is a vital ingredient of advanced equations of state (EOSs), providing a description of thermodynamic properties of complex fluids where hydrogen bonding plays an important role. The combination of the first-order thermodynamic perturbation theory (TPT1) of Wertheim for associating systems with an accurate description of the structural and thermodynamic properties of the monomer fluid forms the basis of the statistical associating fluid theory (SAFT) family of EOSs. The contribution of association to the free energy in SAFT and related EOSs is very sensitive to the nature of intermolecular potential used to describe the monomers and, crucially, to the accuracy of the representation of the thermodynamic and structural properties. Here we develop an accurate description of the association contribution for use within the recently developed SAFT-VR Mie framework for chain molecules formed from segments interacting through a Mie potential [T. Lafitte, A. Apostolakou, C. Avendaño, A, Galindo, C. S. Adjiman, E. A. Müller, and G. Jackson, J. Chem. Phys. 139, 154504 (2013)]. As the Mie interaction represents a soft-core potential model, a method similar to that adopted for the Lennard-Jones potential [E. A. Müller and K. E. Gubbins, Ind. Eng. Chem. Res. 34, 3662 (1995)] is employed to describe the association contribution to the Helmholtz free energy. The radial distribution function (RDF) of the Mie fluid (which is required for the evaluation of the integral at the heart of the association term) is determined for a broad range of thermodynamic conditions (temperatures and densities) using the reference hyper-netted chain (RHNC) integral-equation theory. The numerical data for the association kernel of Mie fluids with different association geometries are then correlated for a range of thermodynamic states to obtain a general expression for the association contribution which can be applied for varying values of the Mie repulsive exponent. The resulting SAFT-VR Mie EOS allows for a much improved description of the vapour-liquid equilibria and single-phase properties of associating fluids such as water, methanol, ammonia, hydrogen sulphide, and their mixtures. A comparison is also made between the theoretical predictions of the degree of association for water and the extent of hydrogen bonding obtained from molecular simulations of the SPC/E and TIP4P/2005 atomistic models.

Compact and Hybrid Feature Description for Building Extraction

NASA Astrophysics Data System (ADS)

Li, Z.; Liu, Y.; Hu, Y.; Li, P.; Ding, Y.

2017-05-01

Building extraction in aerial orthophotos is crucial for various applications. Currently, deep learning has been shown to be successful in addressing building extraction with high accuracy and high robustness. However, quite a large number of samples is required in training a classifier when using deep learning model. In order to realize accurate and semi-interactive labelling, the performance of feature description is crucial, as it has significant effect on the accuracy of classification. In this paper, we bring forward a compact and hybrid feature description method, in order to guarantees desirable classification accuracy of the corners on the building roof contours. The proposed descriptor is a hybrid description of an image patch constructed from 4 sets of binary intensity tests. Experiments show that benefiting from binary description and making full use of color channels, this descriptor is not only computationally frugal, but also accurate than SURF for building extraction.

A semi-analytical bearing model considering outer race flexibility for model based bearing load monitoring

NASA Astrophysics Data System (ADS)

Kerst, Stijn; Shyrokau, Barys; Holweg, Edward

2018-05-01

This paper proposes a novel semi-analytical bearing model addressing flexibility of the bearing outer race structure. It furthermore presents the application of this model in a bearing load condition monitoring approach. The bearing model is developed as current computational low cost bearing models fail to provide an accurate description of the more and more common flexible size and weight optimized bearing designs due to their assumptions of rigidity. In the proposed bearing model raceway flexibility is described by the use of static deformation shapes. The excitation of the deformation shapes is calculated based on the modelled rolling element loads and a Fourier series based compliance approximation. The resulting model is computational low cost and provides an accurate description of the rolling element loads for flexible outer raceway structures. The latter is validated by a simulation-based comparison study with a well-established bearing simulation software tool. An experimental study finally shows the potential of the proposed model in a bearing load monitoring approach.

Compact, accurate description of diagnostic neutral beam propagation and attenuation in a high temperature plasma for charge exchange recombination spectroscopy analysis.

PubMed

Bespamyatnov, Igor O; Rowan, William L; Granetz, Robert S

2008-10-01

Charge exchange recombination spectroscopy on Alcator C-Mod relies on the use of the diagnostic neutral beam injector as a source of neutral particles which penetrate deep into the plasma. It employs the emission resulting from the interaction of the beam atoms with fully ionized impurity ions. To interpret the emission from a given point in the plasma as the density of emitting impurity ions, the density of beam atoms must be known. Here, an analysis of beam propagation is described which yields the beam density profile throughout the beam trajectory from the neutral beam injector to the core of the plasma. The analysis includes the effects of beam formation, attenuation in the neutral gas surrounding the plasma, and attenuation in the plasma. In the course of this work, a numerical simulation and an analytical approximation for beam divergence are developed. The description is made sufficiently compact to yield accurate results in a time consistent with between-shot analysis.

Basic research and data analysis for the earth and ocean physics applications program and for the National Geodetic Satellite Program

NASA Technical Reports Server (NTRS)

1976-01-01

Data analysis and supporting research in connection with the following objectives are discussed: (1) provide a precise and accurate geometric description of the earth's surface, (2) provide a precise and accurate mathematical description of the earth's gravitational field, and (3) determine time variations of the geometry of the ocean surface, the solid earth, the gravity field and other geophysical parameters.

Terminal Area Productivity Airport Wind Analysis and Chicago O'Hare Model Description

NASA Technical Reports Server (NTRS)

Hemm, Robert; Shapiro, Gerald

1998-01-01

This paper describes two results from a continuing effort to provide accurate cost-benefit analyses of the NASA Terminal Area Productivity (TAP) program technologies. Previous tasks have developed airport capacity and delay models and completed preliminary cost benefit estimates for TAP technologies at 10 U.S. airports. This task covers two improvements to the capacity and delay models. The first improvement is the completion of a detailed model set for the Chicago O'Hare (ORD) airport. Previous analyses used a more general model to estimate the benefits for ORD. This paper contains a description of the model details with results corresponding to current conditions. The second improvement is the development of specific wind speed and direction criteria for use in the delay models to predict when the Aircraft Vortex Spacing System (AVOSS) will allow use of reduced landing separations. This paper includes a description of the criteria and an estimate of AVOSS utility for 10 airports based on analysis of 35 years of weather data.

Features of πΔ photoproduction at high energies

DOE PAGES

Nys, Jannes; Mathieu, V.; Fernandez-Ramirez, C.; ...

2018-02-02

Hybrid/exotic meson spectroscopy searches at Jefferson Lab require the accurate theoretical description of the production mechanism in peripheral photoproduction. We develop a model for πΔ photoproduction at high energies (5 ≤ E lab ≤ 16 GeV) that incorporates both the absorbed pion and natural-parity cut contributions. We fit the available observables, providing a good description of the energy and angular dependencies of the experimental data. In conclusion, we also provide predictions for the photon beam asymmetry of charged pions at E lab = 9 GeV which is expected to be measured by GlueX and CLAS12 experiments in the near future.

Features of πΔ photoproduction at high energies

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

Nys, Jannes; Mathieu, V.; Fernandez-Ramirez, C.

Hybrid/exotic meson spectroscopy searches at Jefferson Lab require the accurate theoretical description of the production mechanism in peripheral photoproduction. We develop a model for πΔ photoproduction at high energies (5 ≤ E lab ≤ 16 GeV) that incorporates both the absorbed pion and natural-parity cut contributions. We fit the available observables, providing a good description of the energy and angular dependencies of the experimental data. In conclusion, we also provide predictions for the photon beam asymmetry of charged pions at E lab = 9 GeV which is expected to be measured by GlueX and CLAS12 experiments in the near future.

First Principles based methods and applications for realistic simulations on complex soft materials to develop new materials for energy, health, and environmental sustainability

NASA Astrophysics Data System (ADS)

Goddard, William

2013-03-01

For soft materials applications it is essential to obtain accurate descriptions of the weak (London dispersion, electrostatic) interactions between nonbond units, to include interactions with and stabilization by solvent, and to obtain accurate free energies and entropic changes during chemical, physical, and thermal processing. We will describe some of the advances being made in first principles based methods for treating soft materials with applications selected from new organic electrodes and electrolytes for batteries and fuel cells, forward osmosis for water cleanup, extended matter stable at ambient conditions, and drugs for modulating activation of GCPR membrane proteins,

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

NASA Astrophysics Data System (ADS)

Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel

2018-06-01

We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.

Experimental evidence for an optical interference model for vibrational sum frequency generation on multilayer organic thin film systems. I. Electric dipole approximation.

PubMed

O'Brien, Daniel B; Massari, Aaron M

2015-01-14

In the field of vibrational sum frequency generation spectroscopy (VSFG) applied to organic thin film systems, a significant challenge to data analysis is in the accurate description of optical interference effects. Herein, we provide experimental evidence that a model recently developed in our lab provides an accurate description of this phenomenon. We studied the organic small molecule N,N'-dioctyl-3,4,9,10-perylenedicarboximide vapor deposited as a thickness gradient on silicon wafer substrates with two oxide thicknesses and two surface preps. VSFG data were obtained using the ssp and the sps polarization combinations in the imide carbonyl stretching region as a function of organic thickness. In this first of two reports, the data are modeled and interpreted within the ubiquitous electric dipole approximation for VSFG. The intrinsic sample responses are parameterized during the fitting routines while optical interference effects are simply calculated from the model using known refractive indices, thin film thicknesses, and beam angles. The results indicate that the thin film model provides a good description of optical interferences, indicating that interfacial terms are significant. Inconsistencies between the fitting results within the bounds of the electric dipole response motivate deliberation for additional effects to be considered in the second report.

Accurate wavelengths for X-ray spectroscopy and the NIST hydrogen-like ion database

NASA Astrophysics Data System (ADS)

Kotochigova, S. A.; Kirby, K. P.; Brickhouse, N. S.; Mohr, P. J.; Tupitsyn, I. I.

2005-06-01

We have developed an ab initio multi-configuration Dirac-Fock-Sturm method for the precise calculation of X-ray emission spectra, including energies, transition wavelengths and transition probabilities. The calculations are based on non-orthogonal basis sets, generated by solving the Dirac-Fock and Dirac-Fock-Sturm equations. Inclusion of Sturm functions into the basis set provides an efficient description of correlation effects in highly charged ions and fast convergence of the configuration interaction procedure. A second part of our study is devoted to developing a theoretical procedure and creating an interactive database to generate energies and transition frequencies for hydrogen-like ions. This procedure is highly accurate and based on current knowledge of the relevant theory, which includes relativistic, quantum electrodynamic, recoil, and nuclear size effects.

Binary processing and display concepts for low-cost Omega receivers. [airborne systems simulation

NASA Technical Reports Server (NTRS)

Lilley, R. W.

1974-01-01

A description is given of concepts related to plans for developing a low-cost, all-digital Omega receiver capable of offering to the small-aircraft pilot a reliable and accurate navigation aid. The receiver base considered includes a receiver front-end module, a receiver control module, a memory-aided phase-locked loop module, a housekeeping timer module, and a synthesizer module.

Status Survey of Secondary School Home Economics Programs in the State of Wisconsin, 1972; Abstract of Status Survey.

ERIC Educational Resources Information Center

Monts, Elizabeth A.; And Others

A survey of the middle and senior high school home economics teachers and principals in Wisconsin was conducted to identify the present status of the home economics program which would serve as a basis for future program development and staff education. To obtain an accurate description of the home economics program, questionnaires were developed…

Exploration Technology Developments Program's Radiation Hardened Electronics for Space Environments (RHESE) Project Overview

NASA Technical Reports Server (NTRS)

Keys, Andrew S.; Adams, James H.; Darty, Ronald C.; Patrick, Marshall C.; Johnson, Michael A.; Cressler, John D.

2008-01-01

Primary Objective: 1) A computational tool to accurately predict electronics performance in the presence of space radiation in support of spacecraft design: a) Total dose; b) Single Event Effects; and c) Mean Time Between Failure. (Developed as successor to CR ME96.) Secondary Objectives: 2) To provide a detailed description of the natural radiation environment in support of radiation health and instrument design: a) In deep space; b) Inside the magnetosphere; and c) Behind shielding.

Modeling of Pedestrian Flows Using Hybrid Models of Euler Equations and Dynamical Systems

NASA Astrophysics Data System (ADS)

Bärwolff, Günter; Slawig, Thomas; Schwandt, Hartmut

2007-09-01

In the last years various systems have been developed for controlling, planning and predicting the traffic of persons and vehicles, in particular under security aspects. Going beyond pure counting and statistical models, approaches were found to be very adequate and accurate which are based on well-known concepts originally developed in very different research areas, namely continuum mechanics and computer science. In the present paper, we outline a continuum mechanical approach for the description of pedestrain flow.

[Development and validation of the Family Vulnerability Index to Disability and Dependence (FVI-DD)].

PubMed

Amendola, Fernanda; Alvarenga, Márcia Regina Martins; Latorre, Maria do Rosário Dias de Oliveira; Oliveira, Maria Amélia de Campos

2014-02-01

This exploratory, descriptive, cross-sectional, and quantitative study aimed to develop and validate an index of family vulnerability to disability and dependence (FVI-DD). This study was adapted from the Family Development Index, with the addition of social and health indicators of disability and dependence. The instrument was applied to 248 families in the city of Sao Paulo, followed by exploratory factor analysis. Factor validation was performed using the concurrent and discriminant validity of the Lawton scale and Katz Index. The descriptive level adopted for the study was p < 0.05. The final vulnerability index comprised 50 questions classified into seven factors contemplating social and health dimensions, and this index exhibited good internal consistency (Cronbach's alpha = 0.82). FVI-DD was validated using both the Lawton scale and Katz Index. We conclude that FVI-DD can accurately and reliably assess family vulnerability to disability and dependence.

Basic research and data analysis for the National Geodetic Satellite Program and for the Earth and Ocean Physics Application Program

NASA Technical Reports Server (NTRS)

1974-01-01

Accomplishments in the continuing programs are reported. The data were obtained in support of the following broad objectives: (1) to provide a precise and accurate geometric description of the earth's surface; (2) to provide a precise and accurate mathematical description of the earth's gravitational field; and (3) to determine time variations of the geometry of the ocean surface, the solid earth, the gravity field, and other geophysical parameters.

Can Raters with Reduced Job Descriptive Information Provide Accurate Position Analysis Questionnaire (PAQ) Ratings?

ERIC Educational Resources Information Center

Friedman, Lee; Harvey, Robert J.

1986-01-01

Job-naive raters provided with job descriptive information made Position Analysis Questionnaire (PAQ) ratings which were validated against ratings of job analysts who were also job content experts. None of the reduced job descriptive information conditions enabled job-naive raters to obtain either acceptable levels of convergent validity with…

Nursing Assessment Tool for People With Liver Cirrhosis

PubMed Central

Reis, Renata Karina; da Silva, Patrícia Costa dos Santos; Silva, Ana Elisa Bauer de Camargo; Atila, Elisabeth

2016-01-01

The aim of this study was to describe the process of developing a nursing assessment tool for hospitalized adult patients with liver cirrhosis. A descriptive study was carried out in three stages. First, we conducted a literature review to develop a data collection tool on the basis of the Conceptual Model of Wanda Horta. Second, the data collection tool was assessed through an expert panel. Third, we conducted the pilot testing in hospitalized patients. Most of the comments offered by the panel members were accepted to improve the tool. The final version was in the form of a questionnaire with open-closed questions. The panel members concluded that the tool was useful for accurate nursing diagnosis. Horta's Conceptual Model assisted with the development of this data collection tool to help nurses identify accurate nursing diagnosis in hospitalized patients with liver cirrhosis. We hope that the tool can be used by all nurses in clinical practice. PMID:26425862

Optimal dimensionality reduction of complex dynamics: the chess game as diffusion on a free-energy landscape.

PubMed

Krivov, Sergei V

2011-07-01

Dimensionality reduction is ubiquitous in the analysis of complex dynamics. The conventional dimensionality reduction techniques, however, focus on reproducing the underlying configuration space, rather than the dynamics itself. The constructed low-dimensional space does not provide a complete and accurate description of the dynamics. Here I describe how to perform dimensionality reduction while preserving the essential properties of the dynamics. The approach is illustrated by analyzing the chess game--the archetype of complex dynamics. A variable that provides complete and accurate description of chess dynamics is constructed. The winning probability is predicted by describing the game as a random walk on the free-energy landscape associated with the variable. The approach suggests a possible way of obtaining a simple yet accurate description of many important complex phenomena. The analysis of the chess game shows that the approach can quantitatively describe the dynamics of processes where human decision-making plays a central role, e.g., financial and social dynamics.

Accurate color synthesis of three-dimensional objects in an image

NASA Astrophysics Data System (ADS)

Xin, John H.; Shen, Hui-Liang

2004-05-01

Our study deals with color synthesis of a three-dimensional object in an image; i.e., given a single image, a target color can be accurately mapped onto the object such that the color appearance of the synthesized object closely resembles that of the actual one. As it is almost impossible to acquire the complete geometric description of the surfaces of an object in an image, this study attempted to recover the implicit description of geometry for the color synthesis. The description was obtained from either a series of spectral reflectances or the RGB signals at different surface positions on the basis of the dichromatic reflection model. The experimental results showed that this implicit image-based representation is related to the object geometry and is sufficient for accurate color synthesis of three-dimensional objects in an image. The method established is applicable to the color synthesis of both rigid and deformable objects and should contribute to color fidelity in virtual design, manufacturing, and retailing.

Optimal dimensionality reduction of complex dynamics: The chess game as diffusion on a free-energy landscape

NASA Astrophysics Data System (ADS)

Krivov, Sergei V.

2011-07-01

Dimensionality reduction is ubiquitous in the analysis of complex dynamics. The conventional dimensionality reduction techniques, however, focus on reproducing the underlying configuration space, rather than the dynamics itself. The constructed low-dimensional space does not provide a complete and accurate description of the dynamics. Here I describe how to perform dimensionality reduction while preserving the essential properties of the dynamics. The approach is illustrated by analyzing the chess game—the archetype of complex dynamics. A variable that provides complete and accurate description of chess dynamics is constructed. The winning probability is predicted by describing the game as a random walk on the free-energy landscape associated with the variable. The approach suggests a possible way of obtaining a simple yet accurate description of many important complex phenomena. The analysis of the chess game shows that the approach can quantitatively describe the dynamics of processes where human decision-making plays a central role, e.g., financial and social dynamics.

The use of cognitive task analysis to improve instructional descriptions of procedures.

PubMed

Clark, Richard E; Pugh, Carla M; Yates, Kenneth A; Inaba, Kenji; Green, Donald J; Sullivan, Maura E

2012-03-01

Surgical training relies heavily on the ability of expert surgeons to provide complete and accurate descriptions of a complex procedure. However, research from a variety of domains suggests that experts often omit critical information about the judgments, analysis, and decisions they make when solving a difficult problem or performing a complex task. In this study, we compared three methods for capturing surgeons' descriptions of how to perform the procedure for inserting a femoral artery shunt (unaided free-recall, unaided free-recall with simulation, and cognitive task analysis methods) to determine which method produced more accurate and complete results. Cognitive task analysis was approximately 70% more complete and accurate than free-recall and or free-recall during a simulation of the procedure. Ten expert trauma surgeons at a major urban trauma center were interviewed separately and asked to describe how to perform an emergency shunt procedure. Four surgeons provided an unaided free-recall description of the shunt procedure, five surgeons provided an unaided free-recall description of the procedure using visual aids and surgical instruments (simulation), and one (chosen randomly) was interviewed using cognitive task analysis (CTA) methods. An 11th vascular surgeon approved the final CTA protocol. The CTA interview with only one expert surgeon resulted in significantly greater accuracy and completeness of the descriptions compared with the unaided free-recall interviews with multiple expert surgeons. Surgeons in the unaided group omitted nearly 70% of necessary decision steps. In the free-recall group, heavy use of simulation improved surgeons' completeness when describing the steps of the procedure. CTA significantly increases the completeness and accuracy of surgeons' instructional descriptions of surgical procedures. In addition, simulation during unaided free-recall interviews may improve the completeness of interview data. Copyright © 2012 Elsevier Inc. All rights reserved.

Modeling Initiation in Exploding Bridgewire Detonators

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

Hrousis, C A

2005-05-18

One- and two-dimensional models of initiation in detonators are being developed for the purpose of evaluating the performance of aged and modified detonator designs. The models focus on accurate description of the initiator, whether it be an EBW (exploding bridgewire) that directly initiates a high explosive powder or an EBF (exploding bridgefoil) that sends an inert flyer into a dense HE pellet. The explosion of the initiator is simulated using detailed MHD equations of state as opposed to specific action-based phenomenological descriptions. The HE is modeled using the best available JWL equations of state. Results to date have been promising,more » however, work is still in progress.« less

Research Participants' Understanding of and Reactions to Certificates of Confidentiality.

PubMed

Beskow, Laura M; Check, Devon K; Ammarell, Natalie

2014-01-01

Certificates of Confidentiality are intended to facilitate participation in critical public health research by protecting against forced disclosure of identifying data in legal proceedings, but little is known about the effect of Certificate descriptions in consent forms. To gain preliminary insights, we conducted qualitative interviews with 50 HIV-positive individuals in Durham, North Carolina to explore their subjective understanding of Certificate descriptions and whether their reactions differed based on receiving a standard versus simplified description. Most interviewees were neither reassured nor alarmed by Certificate information, and most said it would not influence their willingness to participate or provide truthful information. However, compared with those receiving the simplified description, more who read the standard description said it raised new concerns, that their likelihood of participating would be lower, and that they might be less forthcoming. Most interviewees said they found the Certificate description clear, but standard-group participants often found particular words and phrases confusing, while simplified-group participants more often questioned the information's substance. Valid informed consent requires comprehension and voluntariness. Our findings highlight the importance of developing consent descriptions of Certificates and other confidentiality protections that are simple and accurate. These qualitative results provide rich detail to inform a larger, quantitative study that would permit further rigorous comparisons.

Research Participants’ Understanding of and Reactions to Certificates of Confidentiality

PubMed Central

Check, Devon K.; Ammarell, Natalie

2013-01-01

Background Certificates of Confidentiality are intended to facilitate participation in critical public health research by protecting against forced disclosure of identifying data in legal proceedings, but little is known about the effect of Certificate descriptions in consent forms. Methods To gain preliminary insights, we conducted qualitative interviews with 50 HIV-positive individuals in Durham, North Carolina to explore their subjective understanding of Certificate descriptions and whether their reactions differed based on receiving a standard versus simplified description. Results Most interviewees were neither reassured nor alarmed by Certificate information, and most said it would not influence their willingness to participate or provide truthful information. However, compared with those receiving the simplified description, more who read the standard description said it raised new concerns, that their likelihood of participating would be lower, and that they might be less forthcoming. Most interviewees said they found the Certificate description clear, but standard-group participants often found particular words and phrases confusing, while simplified-group participants more often questioned the information’s substance. Conclusions Valid informed consent requires comprehension and voluntariness. Our findings highlight the importance of developing consent descriptions of Certificates and other confidentiality protections that are simple and accurate. These qualitative results provide rich detail to inform a larger, quantitative study that would permit further rigorous comparisons. PMID:24563806

Application of TOPEX/Poseidon altimetry to ocean dynamics and geophysics

NASA Technical Reports Server (NTRS)

Douglas, Bruce; Cheney, R.; Miller, L.; Mcadoo, D.; Leetmaa, A.; Schopf, P.; Schwiderski, E. W.

1991-01-01

We will analyze the TOPEX/POSEIDON data using techniques developed for Geosat, although the more accurate TOPEX/POSEIDON data will enable a wider range of problems to be addressed. Our proposed investigations will have five distinct areas: (1) a description of global sea level variability; (2) tropical ocean dynamics; (3) coupled models for El Nino prediction; (4) structure of the lithosphere; and (5) global tide model improvement.

Evaluation of Spacecraft Shielding Effectiveness for Radiation Protection

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Wilson, John W.

1999-01-01

The potential for serious health risks from solar particle events (SPE) and galactic cosmic rays (GCR) is a critical issue in the NASA strategic plan for the Human Exploration and Development of Space (HEDS). The excess cost to protect against the GCR and SPE due to current uncertainties in radiation transmission properties and cancer biology could be exceedingly large based on the excess launch costs to shield against uncertainties. The development of advanced shielding concepts is an important risk mitigation area with the potential to significantly reduce risk below conventional mission designs. A key issue in spacecraft material selection is the understanding of nuclear reactions on the transmission properties of materials. High-energy nuclear particles undergo nuclear reactions in passing through materials and tissue altering their composition and producing new radiation types. Spacecraft and planetary habitat designers can utilize radiation transport codes to identify optimal materials for lowering exposures and to optimize spacecraft design to reduce astronaut exposures. To reach these objectives will require providing design engineers with accurate data bases and computationally efficient software for describing the transmission properties of space radiation in materials. Our program will reduce the uncertainty in the transmission properties of space radiation by improving the theoretical description of nuclear reactions and radiation transport, and provide accurate physical descriptions of the track structure of microscopic energy deposition.

Coupled-cluster based R-matrix codes (CCRM): Recent developments

NASA Astrophysics Data System (ADS)

Sur, Chiranjib; Pradhan, Anil K.

2008-05-01

We report the ongoing development of the new coupled-cluster R-matrix codes (CCRM) for treating electron-ion scattering and radiative processes within the framework of the relativistic coupled-cluster method (RCC), interfaced with the standard R-matrix methodology. The RCC method is size consistent and in principle equivalent to an all-order many-body perturbation theory. The RCC method is one of the most accurate many-body theories, and has been applied for several systems. This project should enable the study of electron-interactions with heavy atoms/ions, utilizing not only high speed computing platforms but also improved theoretical description of the relativistic and correlation effects for the target atoms/ions as treated extensively within the RCC method. Here we present a comprehensive outline of the newly developed theoretical method and a schematic representation of the new suite of CCRM codes. We begin with the flowchart and description of various stages involved in this development. We retain the notations and nomenclature of different stages as analogous to the standard R-matrix codes.

Derivation of the linear-logistic model and Cox's proportional hazard model from a canonical system description.

PubMed

Voit, E O; Knapp, R G

1997-08-15

The linear-logistic regression model and Cox's proportional hazard model are widely used in epidemiology. Their successful application leaves no doubt that they are accurate reflections of observed disease processes and their associated risks or incidence rates. In spite of their prominence, it is not a priori evident why these models work. This article presents a derivation of the two models from the framework of canonical modeling. It begins with a general description of the dynamics between risk sources and disease development, formulates this description in the canonical representation of an S-system, and shows how the linear-logistic model and Cox's proportional hazard model follow naturally from this representation. The article interprets the model parameters in terms of epidemiological concepts as well as in terms of general systems theory and explains the assumptions and limitations generally accepted in the application of these epidemiological models.

An extended Lagrangian method for subsonic flows

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Loh, Ching Y.

1992-01-01

It is well known that fluid motion can be specified by either the Eulerian of Lagrangian description. Most of Computational Fluid Dynamics (CFD) developments over the last three decades have been based on the Eulerian description and considerable progress has been made. In particular, the upwind methods, inspired and guided by the work of Gudonov, have met with many successes in dealing with complex flows, especially where discontinuities exist. However, this shock capturing property has proven to be accurate only when the discontinuity is aligned with one of the grid lines since most upwind methods are strictly formulated in 1-D framework and only formally extended to multi-dimensions. Consequently, the attractive property of crisp resolution of these discontinuities is lost and research on genuine multi-dimensional approach has just been undertaken by several leading researchers. Nevertheless they are still based on the Eulerian description.

Computable visually observed phenotype ontological framework for plants

PubMed Central

2011-01-01

Background The ability to search for and precisely compare similar phenotypic appearances within and across species has vast potential in plant science and genetic research. The difficulty in doing so lies in the fact that many visual phenotypic data, especially visually observed phenotypes that often times cannot be directly measured quantitatively, are in the form of text annotations, and these descriptions are plagued by semantic ambiguity, heterogeneity, and low granularity. Though several bio-ontologies have been developed to standardize phenotypic (and genotypic) information and permit comparisons across species, these semantic issues persist and prevent precise analysis and retrieval of information. A framework suitable for the modeling and analysis of precise computable representations of such phenotypic appearances is needed. Results We have developed a new framework called the Computable Visually Observed Phenotype Ontological Framework for plants. This work provides a novel quantitative view of descriptions of plant phenotypes that leverages existing bio-ontologies and utilizes a computational approach to capture and represent domain knowledge in a machine-interpretable form. This is accomplished by means of a robust and accurate semantic mapping module that automatically maps high-level semantics to low-level measurements computed from phenotype imagery. The framework was applied to two different plant species with semantic rules mined and an ontology constructed. Rule quality was evaluated and showed high quality rules for most semantics. This framework also facilitates automatic annotation of phenotype images and can be adopted by different plant communities to aid in their research. Conclusions The Computable Visually Observed Phenotype Ontological Framework for plants has been developed for more efficient and accurate management of visually observed phenotypes, which play a significant role in plant genomics research. The uniqueness of this framework is its ability to bridge the knowledge of informaticians and plant science researchers by translating descriptions of visually observed phenotypes into standardized, machine-understandable representations, thus enabling the development of advanced information retrieval and phenotype annotation analysis tools for the plant science community. PMID:21702966

Interfacial reflection enhanced optical extinction and thermal dynamics in polymer nanocomposite films

NASA Astrophysics Data System (ADS)

Dunklin, Jeremy R.; Forcherio, Gregory T.; Berry, Keith R.; Roper, D. Keith

2016-09-01

Polymer films containing plasmonic nanostructures are of increasing interest for development of responsive energy, sensing, and therapeutic systems. A series of novel gold nanoparticle (AuNP)-polydimethylsiloxane (PDMS) films were fabricated to elucidate enhanced optical extinction from diffractive and scattering induced internal reflection. AuNPs with dramatically different scattering-to-absorption ratios were compared at variable interparticle separations to differentiate light trapping from optical diffraction and Mie scattering. Description of interfacial optical and thermal effects due to these interrelated contributions has progressed beyond Mie theory, Beer's law, effective media, and conventional heat transfer descriptions. Thermal dissipation rates in AuNP-PDMS with this interfacial optical reflection was enhanced relative to films containing heterogeneous AuNPs and a developed thermal dissipation description. This heuristic, which accounts for contributions of both internal and external thermal dissipations, has been shown to accurately predict thermal dissipation rates from AuNP-containing insulating and conductive substrates in both two and three-dimensional systems. Enhanced thermal response rates could enable design and adaptive control of thermoplasmonic materials for a variety of implementations.

Registration of surface structures using airborne focused ultrasound.

PubMed

Sundström, N; Börjesson, P O; Holmer, N G; Olsson, L; Persson, H W

1991-01-01

A low-cost measuring system, based on a personal computer combined with standard equipment for complex measurements and signal processing, has been assembled. Such a system increases the possibilities for small hospitals and clinics to finance advanced measuring equipment. A description of equipment developed for airborne ultrasound together with a personal computer-based system for fast data acquisition and processing is given. Two air-adapted ultrasound transducers with high lateral resolution have been developed. Furthermore, a few results for fast and accurate estimation of signal arrival time are presented. The theoretical estimation models developed are applied to skin surface profile registrations.

Determination of tire cross-sectional geometric characteristics from a digitally scanned image

NASA Astrophysics Data System (ADS)

Danielson, Kent T.

1995-08-01

A semi-automated procedure is described for the accurate determination of geometrical characteristics using a scanned image of the tire cross-section. The procedure can be useful for cases when CAD drawings are not available or when a description of the actual cured tire is desired. Curves representing the perimeter of the tire cross-section are determined by an edge tracing scheme, and the plyline and cord-end positions are determined by locations of color intensities. The procedure provides an accurate description of the perimeter of the tire cross-section and the locations of plylines and cord-ends. The position, normals, and curvatures of the cross-sectional surface are included in this description. The locations of the plylines provide the necessary information for determining the ply thicknesses and relative position to a reference surface. Finally, the locations of the cord-ends provide a means to calculate the cord-ends per inch (epi). Menu driven software has been developed to facilitate the procedure using the commercial code, PV-Wave by Visual Numerics, Inc., to display the images. From a single user interface, separate modules are executed for image enhancement, curve fitting the edge trace of the cross-sectional perimeter, and determining the plyline and cord-end locations. The code can run on SUN or SGI workstations and requires the use of a mouse to specify options or identify items on the scanned image.

Determination of tire cross-sectional geometric characteristics from a digitally scanned image

NASA Technical Reports Server (NTRS)

Danielson, Kent T.

1995-01-01

A semi-automated procedure is described for the accurate determination of geometrical characteristics using a scanned image of the tire cross-section. The procedure can be useful for cases when CAD drawings are not available or when a description of the actual cured tire is desired. Curves representing the perimeter of the tire cross-section are determined by an edge tracing scheme, and the plyline and cord-end positions are determined by locations of color intensities. The procedure provides an accurate description of the perimeter of the tire cross-section and the locations of plylines and cord-ends. The position, normals, and curvatures of the cross-sectional surface are included in this description. The locations of the plylines provide the necessary information for determining the ply thicknesses and relative position to a reference surface. Finally, the locations of the cord-ends provide a means to calculate the cord-ends per inch (epi). Menu driven software has been developed to facilitate the procedure using the commercial code, PV-Wave by Visual Numerics, Inc., to display the images. From a single user interface, separate modules are executed for image enhancement, curve fitting the edge trace of the cross-sectional perimeter, and determining the plyline and cord-end locations. The code can run on SUN or SGI workstations and requires the use of a mouse to specify options or identify items on the scanned image.

Non-integer viscoelastic constitutive law to model soft biological tissues to in-vivo indentation.

PubMed

Demirci, Nagehan; Tönük, Ergin

2014-01-01

During the last decades, derivatives and integrals of non-integer orders are being more commonly used for the description of constitutive behavior of various viscoelastic materials including soft biological tissues. Compared to integer order constitutive relations, non-integer order viscoelastic material models of soft biological tissues are capable of capturing a wider range of viscoelastic behavior obtained from experiments. Although integer order models may yield comparably accurate results, non-integer order material models have less number of parameters to be identified in addition to description of an intermediate material that can monotonically and continuously be adjusted in between an ideal elastic solid and an ideal viscous fluid. In this work, starting with some preliminaries on non-integer (fractional) calculus, the "spring-pot", (intermediate mechanical element between a solid and a fluid), non-integer order three element (Zener) solid model, finally a user-defined large strain non-integer order viscoelastic constitutive model was constructed to be used in finite element simulations. Using the constitutive equation developed, by utilizing inverse finite element method and in vivo indentation experiments, soft tissue material identification was performed. The results indicate that material coefficients obtained from relaxation experiments, when optimized with creep experimental data could simulate relaxation, creep and cyclic loading and unloading experiments accurately. Non-integer calculus viscoelastic constitutive models, having physical interpretation and modeling experimental data accurately is a good alternative to classical phenomenological viscoelastic constitutive equations.

The Seasat scanning multichannel microwave radiometer /SMMR/: Antenna pattern corrections - Development and implementation

NASA Technical Reports Server (NTRS)

Njoku, E. G.; Christensen, E. J.; Cofield, R. E.

1980-01-01

The antenna temperatures measured by the Seasat scanning multichannel microwave radiometer (SMMR) differ from the true brightness temperatures of the observed scene due to antenna pattern effects, principally from antenna sidelobe contributions and cross-polarization coupling. To provide accurate brightness temperatures convenient for geophysical parameter retrievals the antenna temperatures are processed through a series of stages, collectively known as the antenna pattern correction (APC) algorithm. A description of the development and implementation of the APC algorithm is given, along with an error analysis of the resulting brightness temperatures.

Students' development of astronomy concepts across time

NASA Astrophysics Data System (ADS)

Plummer, Julia Diane

2006-02-01

The National Science Education Standards (NRC, 1996) recommend that students understand the apparent patterns of motion of the sun, moon and stars visible by the end of early elementary school. However, little information exists on students' knowledge of apparent celestial motion or instruction in this area. The goals of this dissertation were to describe children's knowledge of apparent celestial motion across elementary and middle school, explore early elementary students' ability to learn these topics through planetarium instruction, and begin the development of a learning progression for these concepts, First, third, and eighth grade students (N=60) were interviewed using a planetarium-like setting that allowed the students to demonstrate their ideas both verbally and with their own motions on an artificial sky. Analysis of these interviews suggests that students are not making the types of observations of the sky necessary to learn apparent celestial motion and any instruction they may have received has not helped them reach an accurate understanding of most topics. Most students at each grade level could not accurately describe the patterns of motion. Though the older students were more accurate in most of their descriptions than the younger students, in several areas the eighth grade students showed no improvement over the third grade students. The use of kinesthetic learning techniques in a planetarium program was also explored as a method to improve understanding of celestial motion. Pre- and post-interviews were conducted with participants from seven classes of first and second grade students (N=63). Students showed significant improvement in all areas of apparent celestial motion covered by the planetarium program and surpassed the middle school students' understanding of these concepts in most areas. This suggests that students in early elementary school are capable of learning the accurate description of apparent celestial motion. The results demonstrate the value of both kinesthetic learning techniques and the rich visual environment of the planetarium for improved understanding of celestial motion. Based on the results of these studies, I developed a learning progression describing how children may progress through successively more complex ways of understanding apparent celestial motion across elementary grades.

HGVS Recommendations for the Description of Sequence Variants: 2016 Update.

PubMed

den Dunnen, Johan T; Dalgleish, Raymond; Maglott, Donna R; Hart, Reece K; Greenblatt, Marc S; McGowan-Jordan, Jean; Roux, Anne-Francoise; Smith, Timothy; Antonarakis, Stylianos E; Taschner, Peter E M

2016-06-01

The consistent and unambiguous description of sequence variants is essential to report and exchange information on the analysis of a genome. In particular, DNA diagnostics critically depends on accurate and standardized description and sharing of the variants detected. The sequence variant nomenclature system proposed in 2000 by the Human Genome Variation Society has been widely adopted and has developed into an internationally accepted standard. The recommendations are currently commissioned through a Sequence Variant Description Working Group (SVD-WG) operating under the auspices of three international organizations: the Human Genome Variation Society (HGVS), the Human Variome Project (HVP), and the Human Genome Organization (HUGO). Requests for modifications and extensions go through the SVD-WG following a standard procedure including a community consultation step. Version numbers are assigned to the nomenclature system to allow users to specify the version used in their variant descriptions. Here, we present the current recommendations, HGVS version 15.11, and briefly summarize the changes that were made since the 2000 publication. Most focus has been on removing inconsistencies and tightening definitions allowing automatic data processing. An extensive version of the recommendations is available online, at http://www.HGVS.org/varnomen. © 2016 WILEY PERIODICALS, INC.

Toward structure prediction of cyclic peptides.

PubMed

Yu, Hongtao; Lin, Yu-Shan

2015-02-14

Cyclic peptides are a promising class of molecules that can be used to target specific protein-protein interactions. A computational method to accurately predict their structures would substantially advance the development of cyclic peptides as modulators of protein-protein interactions. Here, we develop a computational method that integrates bias-exchange metadynamics simulations, a Boltzmann reweighting scheme, dihedral principal component analysis and a modified density peak-based cluster analysis to provide a converged structural description for cyclic peptides. Using this method, we evaluate the performance of a number of popular protein force fields on a model cyclic peptide. All the tested force fields seem to over-stabilize the α-helix and PPII/β regions in the Ramachandran plot, commonly populated by linear peptides and proteins. Our findings suggest that re-parameterization of a force field that well describes the full Ramachandran plot is necessary to accurately model cyclic peptides.

Development and application of ab initio QM/MM methods for mechanistic simulation of reactions in solution and in enzymes

PubMed Central

Hu, Hao; Yang, Weitao

2013-01-01

Determining the free energies and mechanisms of chemical reactions in solution and enzymes is a major challenge. For such complex reaction processes, combined quantum mechanics/molecular mechanics (QM/MM) method is the most effective simulation method to provide an accurate and efficient theoretical description of the molecular system. The computational costs of ab initio QM methods, however, have limited the application of ab initio QM/MM methods. Recent advances in ab initio QM/MM methods allowed the accurate simulation of the free energies for reactions in solution and in enzymes and thus paved the way for broader application of the ab initio QM/MM methods. We review here the theoretical developments and applications of the ab initio QM/MM methods, focusing on the determination of reaction path and the free energies of the reaction processes in solution and enzymes. PMID:24146439

Office of Adolescent Health medical accuracy review process--helping ensure the medical accuracy of Teen Pregnancy Prevention Program materials.

PubMed

Jensen, Jo Anne G; Moreno, Elizabeth L; Rice, Tara M

2014-03-01

The Office of Adolescent Health (OAH) developed a systematic approach to review for medical accuracy the educational materials proposed for use in Teen Pregnancy Prevention (TPP) programs. This process is also used by the Administration on Children, Youth, and Families (ACYF) for review of materials used in the Personal Responsibility Education Innovative Strategies (PREIS) Program. This article describes the review process, explaining the methodology, the team implementing the reviews, and the process for distributing review findings and implementing changes. Provided also is the definition of "medically accurate and complete" as used in the programs, and a description of what constitutes "complete" information when discussing sexually transmitted infections and birth control methods. The article is of interest to program providers, curriculum developers and purveyors, and those who are interested in providing medically accurate and complete information to adolescents. Published by Elsevier Inc.

Getting the most from dermatopathology.

PubMed

Campbell, Gregory A; Sauber, Leslie

2007-03-01

Dermatohistopathology is one of the most powerful diagnostic tools in clinical dermatology. It is a process in which the veterinary clinician and the veterinary pathologist must consider themselves a team in patient care. The veterinary clinician must know when biopsies are indicated; be able to select lesions to biopsy that are likely to yield diagnostic results; skillfully procure the biopsy samples; and provide the pathologist with an accurate history, clinical description, and clinical differential diagnosis. The pathologist should have particular interest and expertise in dermatohistopathology, be readily accessible to the clinician, and be vigilant in the pursuit of an accurate histologic description and diagnosis.

Numerical Methodology for Coupled Time-Accurate Simulations of Primary and Secondary Flowpaths in Gas Turbines

NASA Technical Reports Server (NTRS)

Przekwas, A. J.; Athavale, M. M.; Hendricks, R. C.; Steinetz, B. M.

2006-01-01

Detailed information of the flow-fields in the secondary flowpaths and their interaction with the primary flows in gas turbine engines is necessary for successful designs with optimized secondary flow streams. Present work is focused on the development of a simulation methodology for coupled time-accurate solutions of the two flowpaths. The secondary flowstream is treated using SCISEAL, an unstructured adaptive Cartesian grid code developed for secondary flows and seals, while the mainpath flow is solved using TURBO, a density based code with capability of resolving rotor-stator interaction in multi-stage machines. An interface is being tested that links the two codes at the rim seal to allow data exchange between the two codes for parallel, coupled execution. A description of the coupling methodology and the current status of the interface development is presented. Representative steady-state solutions of the secondary flow in the UTRC HP Rig disc cavity are also presented.

Application of the Rangeland Hydrology and Erosion Model to Ecological Site Descriptions and Management

USDA-ARS?s Scientific Manuscript database

The utility of Ecological Site Descriptions (ESDs) and State-and-Transition Models (STMs) concepts in guiding rangeland management hinges on their ability to accurately describe and predict community dynamics and the associated consequences. For many rangeland ecosystems, plant community dynamics ar...

Mini-review: history of organized teratology information services in North America.

PubMed

Leen-Mitchell, M; Martinez, L; Gallegos, S; Robertson, J; Carey, J C

2000-04-01

A history of the Organization of Teratology Information Services (OTIS) is presented in context of the history of teratology information services. During the late 1970s, teratology information services grew out of the need for current and accurate information about fetal effects of environmental exposures in pregnancy. Over the next decade, teratology information services networked and collaborated, developing their own professional organization. A description of the activities of OTIS is described. Copyright 2000 Wiley-Liss, Inc.

Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations.

PubMed

Müller, Erich A; Jackson, George

2014-01-01

A description of fluid systems with molecular-based algebraic equations of state (EoSs) and by direct molecular simulation is common practice in chemical engineering and the physical sciences, but the two approaches are rarely closely coupled. The key for an integrated representation is through a well-defined force field and Hamiltonian at the molecular level. In developing coarse-grained intermolecular potential functions for the fluid state, one typically starts with a detailed, bottom-up quantum-mechanical or atomic-level description and then integrates out the unwanted degrees of freedom using a variety of techniques; an iterative heuristic simulation procedure is then used to refine the parameters of the model. By contrast, with a top-down technique, one can use an accurate EoS to link the macroscopic properties of the fluid and the force-field parameters. We discuss the latest developments in a top-down representation of fluids, with a particular focus on a group-contribution formulation of the statistical associating fluid theory (SAFT-γ). The accurate SAFT-γ EoS is used to estimate the parameters of the Mie force field, which can then be used with confidence in direct molecular simulations to obtain thermodynamic, structural, interfacial, and dynamical properties that are otherwise inaccessible from the EoS. This is exemplified for several prototypical fluids and mixtures, including carbon dioxide, hydrocarbons, perfluorohydrocarbons, and aqueous surfactants.

Langley Atmospheric Information Retrieval System (LAIRS): System description and user's guide

NASA Technical Reports Server (NTRS)

Boland, D. E., Jr.; Lee, T.

1982-01-01

This document presents the user's guide, system description, and mathematical specifications for the Langley Atmospheric Information Retrieval System (LAIRS). It also includes a description of an optimal procedure for operational use of LAIRS. The primary objective of the LAIRS Program is to make it possible to obtain accurate estimates of atmospheric pressure, density, temperature, and winds along Shuttle reentry trajectories for use in postflight data reduction.

Preliminary description of the area navigation software for a microcomputer-based Loran-C receiver

NASA Technical Reports Server (NTRS)

Oguri, F.

1983-01-01

The development of new software implementation of this software on a microcomputer (MOS 6502) to provide high quality navigation information is described. This software development provides Area/Route Navigation (RNAV) information from Time Differences (TDs) in raw form using an elliptical Earth model and a spherical model. The software is prepared for the microcomputer based Loran-C receiver. To compute navigation infomation, a (MOS 6502) microcomputer and a mathematical chip (AM 9511A) were combined with the Loran-C receiver. Final data reveals that this software does indeed provide accurate information with reasonable execution times.

Wound Documentation by Using 3G Mobile as Acquisition Terminal: An Appropriate Proposal for Community Wound Care.

PubMed

Ge, Kui; Wu, Minjie; Liu, Hu; Gong, Jiahong; Zhang, Yi; Hu, Qiang; Fang, Min; Tao, Yanping; Cai, Minqiang; Chen, Hua; Wang, Jianbo; Xie, Ting; Lu, Shuliang

2015-06-01

The increasing numbers of cases of wound disease are now posing a big challenge in China. For more convenience of wound patients, wound management in community health care centers under the supervision of a specialist at general hospitals is an ideal solution. To ensure an accurate diagnosis in community health clinics, it is important that "the same language" for wound description, which may be composed of unified format description, including wound image, must be achieved. We developed a wound information management system that was built up by acquisition terminal, wound description, data bank, and related software. In this system, a 3G mobile phone was applied as acquisition terminal, which could be used to access to the data bank. This documentation system was thought to be an appropriate proposal for community wound care because of its objectivity, uniformity, and facilitation. It also provides possibility for epidemiological study in the future. © The Author(s) 2014.

On the Helix Propensity in Generalized Born Solvent Descriptions of Modeling the Dark Proteome

DTIC Science & Technology

2017-01-10

benchmarks of conformational sampling methods and their all-atom force fields plus solvent descriptions to accurately model structural transitions on a...atom simulations of proteins is the replacement of explicit water interactions with a continuum description of treating implicitly the bulk physical... structure was reported by Amarasinghe and coworkers (Leung et al., 2015) of the Ebola nucleoprotein NP in complex with a 28-residue peptide extracted

Contact dynamics recording and analysis system using an optical fiber sensor approach

NASA Astrophysics Data System (ADS)

Anghel, F.; Pavelescu, D.; Grattan, K. T. V.; Palmer, A. W.

1997-09-01

A contact dynamics recording and analysis system configured using an optical fiber sensor has been developed having been designed with a particular application to the accurate and time-varying description of moving contact operating during electrical arc breaking, in an experimental platform simulating the operation of a vacuum circuit breaker. The system utilizes dynamic displacement measurement and data recording and a post-process data analysis to reveal the dynamic speed and acceleration data of the equipment.

Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method

NASA Astrophysics Data System (ADS)

Dutra, Matthew; Hinde, Robert

2018-04-01

In this paper, we present Monte Carlo simulations of helium droplet pick-up experiments with the intention of developing a robust and accurate theoretical approach for interpreting experimental helium droplet calorimetry data. Our approach is capable of capturing the evaporative behavior of helium droplets following dopant acquisition, allowing for a more realistic description of the pick-up process. Furthermore, we circumvent the traditional assumption of bulk helium behavior by utilizing density functional calculations of the size-dependent helium droplet chemical potential. The results of this new Monte Carlo technique are compared to commonly used Poisson pick-up statistics for simulations that reflect a broad range of experimental parameters. We conclude by offering an assessment of both of these theoretical approaches in the context of our observed results.

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional

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

Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo

2016-06-13

One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and vanmore » der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.« less

Monitoring of Batch Industrial Crystallization with Growth, Nucleation, and Agglomeration. Part 1: Modeling with Method of Characteristics.

PubMed

Porru, Marcella; Özkan, Leyla

2017-05-24

This paper develops a new simulation model for crystal size distribution dynamics in industrial batch crystallization. The work is motivated by the necessity of accurate prediction models for online monitoring purposes. The proposed numerical scheme is able to handle growth, nucleation, and agglomeration kinetics by means of the population balance equation and the method of characteristics. The former offers a detailed description of the solid phase evolution, while the latter provides an accurate and efficient numerical solution. In particular, the accuracy of the prediction of the agglomeration kinetics, which cannot be ignored in industrial crystallization, has been assessed by comparing it with solutions in the literature. The efficiency of the solution has been tested on a simulation of a seeded flash cooling batch process. Since the proposed numerical scheme can accurately simulate the system behavior more than hundred times faster than the batch duration, it is suitable for online applications such as process monitoring tools based on state estimators.

Monitoring of Batch Industrial Crystallization with Growth, Nucleation, and Agglomeration. Part 1: Modeling with Method of Characteristics

PubMed Central

2017-01-01

This paper develops a new simulation model for crystal size distribution dynamics in industrial batch crystallization. The work is motivated by the necessity of accurate prediction models for online monitoring purposes. The proposed numerical scheme is able to handle growth, nucleation, and agglomeration kinetics by means of the population balance equation and the method of characteristics. The former offers a detailed description of the solid phase evolution, while the latter provides an accurate and efficient numerical solution. In particular, the accuracy of the prediction of the agglomeration kinetics, which cannot be ignored in industrial crystallization, has been assessed by comparing it with solutions in the literature. The efficiency of the solution has been tested on a simulation of a seeded flash cooling batch process. Since the proposed numerical scheme can accurately simulate the system behavior more than hundred times faster than the batch duration, it is suitable for online applications such as process monitoring tools based on state estimators. PMID:28603342

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional.

PubMed

Sun, Jianwei; Remsing, Richard C; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L; Perdew, John P

2016-09-01

One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.

A new background subtraction method for Western blot densitometry band quantification through image analysis software.

PubMed

Gallo-Oller, Gabriel; Ordoñez, Raquel; Dotor, Javier

2018-06-01

Since its first description, Western blot has been widely used in molecular labs. It constitutes a multistep method that allows the detection and/or quantification of proteins from simple to complex protein mixtures. Western blot quantification method constitutes a critical step in order to obtain accurate and reproducible results. Due to the technical knowledge required for densitometry analysis together with the resources availability, standard office scanners are often used for the imaging acquisition of developed Western blot films. Furthermore, the use of semi-quantitative software as ImageJ (Java-based image-processing and analysis software) is clearly increasing in different scientific fields. In this work, we describe the use of office scanner coupled with the ImageJ software together with a new image background subtraction method for accurate Western blot quantification. The proposed method represents an affordable, accurate and reproducible approximation that could be used in the presence of limited resources availability. Copyright © 2018 Elsevier B.V. All rights reserved.

s -wave scattering length of a Gaussian potential

NASA Astrophysics Data System (ADS)

Jeszenszki, Peter; Cherny, Alexander Yu.; Brand, Joachim

2018-04-01

We provide accurate expressions for the s -wave scattering length for a Gaussian potential well in one, two, and three spatial dimensions. The Gaussian potential is widely used as a pseudopotential in the theoretical description of ultracold-atomic gases, where the s -wave scattering length is a physically relevant parameter. We first describe a numerical procedure to compute the value of the s -wave scattering length from the parameters of the Gaussian, but find that its accuracy is limited in the vicinity of singularities that result from the formation of new bound states. We then derive simple analytical expressions that capture the correct asymptotic behavior of the s -wave scattering length near the bound states. Expressions that are increasingly accurate in wide parameter regimes are found by a hierarchy of approximations that capture an increasing number of bound states. The small number of numerical coefficients that enter these expressions is determined from accurate numerical calculations. The approximate formulas combine the advantages of the numerical and approximate expressions, yielding an accurate and simple description from the weakly to the strongly interacting limit.

Three-dimensional visualization of the craniofacial patient: volume segmentation, data integration and animation.

PubMed

Enciso, R; Memon, A; Mah, J

2003-01-01

The research goal at the Craniofacial Virtual Reality Laboratory of the School of Dentistry in conjunction with the Integrated Media Systems Center, School of Engineering, University of Southern California, is to develop computer methods to accurately visualize patients in three dimensions using advanced imaging and data acquisition devices such as cone-beam computerized tomography (CT) and mandibular motion capture. Data from these devices were integrated for three-dimensional (3D) patient-specific visualization, modeling and animation. Generic methods are in development that can be used with common CT image format (DICOM), mesh format (STL) and motion data (3D position over time). This paper presents preliminary descriptive studies on: 1) segmentation of the lower and upper jaws with two types of CT data--(a) traditional whole head CT data and (b) the new dental Newtom CT; 2) manual integration of accurate 3D tooth crowns with the segmented lower jaw 3D model; 3) realistic patient-specific 3D animation of the lower jaw.

The solidification velocity of nickel and titanium alloys

NASA Astrophysics Data System (ADS)

Altgilbers, Alex Sho

2002-09-01

The solidification velocity of several Ni-Ti, Ni-Sn, Ni-Si, Ti-Al and Ti-Ni alloys were measured as a function of undercooling. From these results, a model for alloy solidification was developed that can be used to predict the solidification velocity as a function of undercooling more accurately. During this investigation a phenomenon was observed in the solidification velocity that is a direct result of the addition of the various alloying elements to nickel and titanium. The additions of the alloying elements resulted in an additional solidification velocity plateau at intermediate undercoolings. Past work has shown a solidification velocity plateau at high undercoolings can be attributed to residual oxygen. It is shown that a logistic growth model is a more accurate model for predicting the solidification of alloys. Additionally, a numerical model is developed from simple description of the effect of solute on the solidification velocity, which utilizes a Boltzmann logistic function to predict the plateaus that occur at intermediate undercoolings.

An open access thyroid ultrasound image database

NASA Astrophysics Data System (ADS)

Pedraza, Lina; Vargas, Carlos; Narváez, Fabián.; Durán, Oscar; Muñoz, Emma; Romero, Eduardo

2015-01-01

Computer aided diagnosis systems (CAD) have been developed to assist radiologists in the detection and diagnosis of abnormalities and a large number of pattern recognition techniques have been proposed to obtain a second opinion. Most of these strategies have been evaluated using different datasets making their performance incomparable. In this work, an open access database of thyroid ultrasound images is presented. The dataset consists of a set of B-mode Ultrasound images, including a complete annotation and diagnostic description of suspicious thyroid lesions by expert radiologists. Several types of lesions as thyroiditis, cystic nodules, adenomas and thyroid cancers were included while an accurate lesion delineation is provided in XML format. The diagnostic description of malignant lesions was confirmed by biopsy. The proposed new database is expected to be a resource for the community to assess different CAD systems.

NNLOPS accurate associated HW production

NASA Astrophysics Data System (ADS)

Astill, William; Bizon, Wojciech; Re, Emanuele; Zanderighi, Giulia

2016-06-01

We present a next-to-next-to-leading order accurate description of associated HW production consistently matched to a parton shower. The method is based on reweighting events obtained with the HW plus one jet NLO accurate calculation implemented in POWHEG, extended with the MiNLO procedure, to reproduce NNLO accurate Born distributions. Since the Born kinematics is more complex than the cases treated before, we use a parametrization of the Collins-Soper angles to reduce the number of variables required for the reweighting. We present phenomenological results at 13 TeV, with cuts suggested by the Higgs Cross section Working Group.

Water Lone Pair Delocalization in Classical and Quantum Descriptions of the Hydration of Model Ions

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

Remsing, Richard C.; Duignan, Timothy T.; Baer, Marcel D.

Understanding the nature of ionic hydration at a fundamental level has eluded scientists despite intense interest for nearly a century. In particular, the microscopic origins of the asymmetry of ion solvation thermodynamics with respect to the sign of the ionic charge remains a mystery. Here, we determine the response of accurate quantum mechanical water models to strong nanoscale solvation forces arising from excluded volumes and ionic electrostatic fields. This is compared to the predictions of two important limiting classes of classical models of water with fixed point changes, differing in their treatment of "lone-pair" electrons. Using the quantum water modelmore » as our standard of accuracy, we find that a single fixed classical treatment of lone pair electrons cannot accurately describe solvation of both apolar and cationic solutes, underlining the need for a more flexible description of local electronic effects in solvation processes. However, we explicitly show that all water models studied respond to weak long-ranged electrostatic perturbations in a manner that follows macroscopic dielectric continuum models, as would be expected. We emphasize the importance of these findings in the context of realistic ion models, using density functional theory and empirical models, and discuss the implications of our results for quantitatively accurate reduced descriptions of solvation in dielectric media.« less

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments.

PubMed

Papaioannou, Vasileios; Lafitte, Thomas; Avendaño, Carlos; Adjiman, Claire S; Jackson, George; Müller, Erich A; Galindo, Amparo

2014-02-07

A generalization of the recent version of the statistical associating fluid theory for variable range Mie potentials [Lafitte et al., J. Chem. Phys. 139, 154504 (2013)] is formulated within the framework of a group contribution approach (SAFT-γ Mie). Molecules are represented as comprising distinct functional (chemical) groups based on a fused heteronuclear molecular model, where the interactions between segments are described with the Mie (generalized Lennard-Jonesium) potential of variable attractive and repulsive range. A key feature of the new theory is the accurate description of the monomeric group-group interactions by application of a high-temperature perturbation expansion up to third order. The capabilities of the SAFT-γ Mie approach are exemplified by studying the thermodynamic properties of two chemical families, the n-alkanes and the n-alkyl esters, by developing parameters for the methyl, methylene, and carboxylate functional groups (CH3, CH2, and COO). The approach is shown to describe accurately the fluid-phase behavior of the compounds considered with absolute average deviations of 1.20% and 0.42% for the vapor pressure and saturated liquid density, respectively, which represents a clear improvement over other existing SAFT-based group contribution approaches. The use of Mie potentials to describe the group-group interaction is shown to allow accurate simultaneous descriptions of the fluid-phase behavior and second-order thermodynamic derivative properties of the pure fluids based on a single set of group parameters. Furthermore, the application of the perturbation expansion to third order for the description of the reference monomeric fluid improves the predictions of the theory for the fluid-phase behavior of pure components in the near-critical region. The predictive capabilities of the approach stem from its formulation within a group-contribution formalism: predictions of the fluid-phase behavior and thermodynamic derivative properties of compounds not included in the development of group parameters are demonstrated. The performance of the theory is also critically assessed with predictions of the fluid-phase behavior (vapor-liquid and liquid-liquid equilibria) and excess thermodynamic properties of a variety of binary mixtures, including polymer solutions, where very good agreement with the experimental data is seen, without the need for adjustable mixture parameters.

Feasibility study for image guided kidney surgery: assessment of required intraoperative surface for accurate image to physical space registrations

NASA Astrophysics Data System (ADS)

Benincasa, Anne B.; Clements, Logan W.; Herrell, S. Duke; Chang, Sam S.; Cookson, Michael S.; Galloway, Robert L.

2006-03-01

Currently, the removal of kidney tumor masses uses only direct or laparoscopic visualizations, resulting in prolonged procedure and recovery times and reduced clear margin. Applying current image guided surgery (IGS) techniques, as those used in liver cases, to kidney resections (nephrectomies) presents a number of complications. Most notably is the limited field of view of the intraoperative kidney surface, which constrains the ability to obtain a surface delineation that is geometrically descriptive enough to drive a surface-based registration. Two different phantom orientations were used to model the laparoscopic and traditional partial nephrectomy views. For the laparoscopic view, fiducial point sets were compiled from a CT image volume using anatomical features such as the renal artery and vein. For the traditional view, markers attached to the phantom set-up were used for fiducials and targets. The fiducial points were used to perform a point-based registration, which then served as a guide for the surface-based registration. Laser range scanner (LRS) obtained surfaces were registered to each phantom surface using a rigid iterative closest point algorithm. Subsets of each phantom's LRS surface were used in a robustness test to determine the predictability of their registrations to transform the entire surface. Results from both orientations suggest that about half of the kidney's surface needs to be obtained intraoperatively for accurate registrations between the image surface and the LRS surface, suggesting the obtained kidney surfaces were geometrically descriptive enough to perform accurate registrations. This preliminary work paves the way for further development of kidney IGS systems.

A Dynamic/Anisotropic Low Earth Orbit (LEO) Ionizing Radiation Model

NASA Technical Reports Server (NTRS)

Badavi, Francis F.; West, Katie J.; Nealy, John E.; Wilson, John W.; Abrahms, Briana L.; Luetke, Nathan J.

2006-01-01

The International Space Station (ISS) provides the proving ground for future long duration human activities in space. Ionizing radiation measurements in ISS form the ideal tool for the experimental validation of ionizing radiation environmental models, nuclear transport code algorithms, and nuclear reaction cross sections. Indeed, prior measurements on the Space Transportation System (STS; Shuttle) have provided vital information impacting both the environmental models and the nuclear transport code development by requiring dynamic models of the Low Earth Orbit (LEO) environment. Previous studies using Computer Aided Design (CAD) models of the evolving ISS configurations with Thermo Luminescent Detector (TLD) area monitors, demonstrated that computational dosimetry requires environmental models with accurate non-isotropic as well as dynamic behavior, detailed information on rack loading, and an accurate 6 degree of freedom (DOF) description of ISS trajectory and orientation.

Stochastic modelling of microstructure formation in solidification processes

NASA Astrophysics Data System (ADS)

Nastac, Laurentiu; Stefanescu, Doru M.

1997-07-01

To relax many of the assumptions used in continuum approaches, a general stochastic model has been developed. The stochastic model can be used not only for an accurate description of the fraction of solid evolution, and therefore accurate cooling curves, but also for simulation of microstructure formation in castings. The advantage of using the stochastic approach is to give a time- and space-dependent description of solidification processes. Time- and space-dependent processes can also be described by partial differential equations. Unlike a differential formulation which, in most cases, has to be transformed into a difference equation and solved numerically, the stochastic approach is essentially a direct numerical algorithm. The stochastic model is comprehensive, since the competition between various phases is considered. Furthermore, grain impingement is directly included through the structure of the model. In the present research, all grain morphologies are simulated with this procedure. The relevance of the stochastic approach is that the simulated microstructures can be directly compared with microstructures obtained from experiments. The computer becomes a `dynamic metallographic microscope'. A comparison between deterministic and stochastic approaches has been performed. An important objective of this research was to answer the following general questions: (1) `Would fully deterministic approaches continue to be useful in solidification modelling?' and (2) `Would stochastic algorithms be capable of entirely replacing purely deterministic models?'

Development and validation of a new soot formation model for gas turbine combustor simulations

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

Di Domenico, Massimiliano; Gerlinger, Peter; Aigner, Manfred

2010-02-15

In this paper a new soot formation model for gas turbine combustor simulations is presented. A sectional approach for the description of Polycyclic Aromatic Hydrocarbons (PAHs) and a two-equation model for soot particle dynamics are introduced. By including the PAH chemistry the formulation becomes more general in that the soot formation is neither directly linked to the fuel nor to C{sub 2}-like species, as it is the case in simpler soot models currently available for CFD applications. At the same time, the sectional approach for the PAHs keeps the required computational resources low if compared to models based on amore » detailed description of the PAH kinetics. These features of the new model allow an accurate yet affordable calculation of soot in complex gas turbine combustion chambers. A careful model validation will be presented for diffusion and partially premixed flames. Fuels ranging from methane to kerosene are investigated. Thus, flames with different sooting characteristics are covered. An excellent agreement with experimental data is achieved for all configurations investigated. A fundamental feature of the new model is that with a single set of constants it is able to accurately describe the soot dynamics of different fuels at different operating conditions. (author)« less

Benchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessments.

PubMed

Karaboga, Arnaud S; Petronin, Florent; Marchetti, Gino; Souchet, Michel; Maigret, Bernard

2013-04-01

Since 3D molecular shape is an important determinant of biological activity, designing accurate 3D molecular representations is still of high interest. Several chemoinformatic approaches have been developed to try to describe accurate molecular shapes. Here, we present a novel 3D molecular description, namely harmonic pharma chemistry coefficient (HPCC), combining a ligand-centric pharmacophoric description projected onto a spherical harmonic based shape of a ligand. The performance of HPCC was evaluated by comparison to the standard ROCS software in a ligand-based virtual screening (VS) approach using the publicly available directory of useful decoys (DUD) data set comprising over 100,000 compounds distributed across 40 protein targets. Our results were analyzed using commonly reported statistics such as the area under the curve (AUC) and normalized sum of logarithms of ranks (NSLR) metrics. Overall, our HPCC 3D method is globally as efficient as the state-of-the-art ROCS software in terms of enrichment and slightly better for more than half of the DUD targets. Since it is largely admitted that VS results depend strongly on the nature of the protein families, we believe that the present HPCC solution is of interest over the current ligand-based VS methods. Copyright © 2013 Elsevier Inc. All rights reserved.

Development of cost-effective surfactant flooding technology. First annual report for the period, September 30, 1992--September 29, 1993

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

Pope, G.A.; Sepehrnoori, K.

1994-08-01

This research consists of the parallel development of a new chemical flooding simulator and the application of existing UTCHEM simulation code to model surfactant flooding. The new code is based upon a completely new numerical method that combines for the first time higher order finite difference methods, flux limiters, and implicit algorithms. Early results indicate that this approach has significant advantages in some problems and will likely enable simulation of much larger and more realistic chemical floods once it is fully developed. Additional improvements have also been made to the UTCHEM code and it has been applied for the firstmore » time to the study of stochastic reservoirs with and without horizontal wells to evaluate methods to reduce the cost and risk of surfactant flooding. During the first year of this contract, significant progress has been made on both of these tasks. The authors have found that there are indeed significant differences between the performance predictions based upon the traditional layered reservoir description and the more realistic and flexible descriptions using geostatistics. These preliminary studies of surfactant flooding using horizontal wells shows that although they have significant potential to greatly reduce project life and thus improve the economics of the process, their use requires accurate reservoir descriptions and simulations to be effective. Much more needs to be done to fully understand and optimize their use and develop reliable design criteria.« less

Equations for description of nonlinear standing waves in constant-cross-sectioned resonators.

PubMed

Bednarik, Michal; Cervenka, Milan

2014-03-01

This work is focused on investigation of applicability of two widely used model equations for description of nonlinear standing waves in constant-cross-sectioned resonators. The investigation is based on the comparison of numerical solutions of these model equations with solutions of more accurate model equations whose validity has been verified experimentally in a number of published papers.

Voice Identification: Levels-of-Processing and the Relationship between Prior Description Accuracy and Recognition Accuracy.

ERIC Educational Resources Information Center

Walter, Todd J.

A study examined whether a person's ability to accurately identify a voice is influenced by factors similar to those proposed by the Supreme Court for eyewitness identification accuracy. In particular, the Supreme Court has suggested that a person's prior description accuracy of a suspect, degree of attention to a suspect, and confidence in…

The generalized Sellmeier equation for air

PubMed Central

Voronin, A. A.; Zheltikov, A. M.

2017-01-01

We present a compact, uniform generalized Sellmeier-equation (GSE) description of air refraction and its dispersion that remains highly accurate within an ultrabroad spectral range from the ultraviolet to the long-wavelength infrared. While the standard Sellmeier equation (SSE) for atmospheric air is not intended for the description of air refractivity in the mid-infrared and long-wavelength infrared, failing beyond, roughly 2.5 μm, our generalization of this equation is shown to agree remarkably well with full-scale air-refractivity calculations involving over half a million atmospheric absorption lines, providing a highly accurate description of air refractivity in the range of wavelengths from 0.3 to 13 μm. With its validity range being substantially broader than the applicability range of the SSE and its accuracy being at least an order of magnitude higher than the accuracy that the SSE can provide even within its validity range, the GSE-based approach offers a powerful analytical tool for the rapidly progressing mid- and long-wavelength-infrared optics of the atmosphere. PMID:28836624

How variations in distance affect eyewitness reports and identification accuracy.

PubMed

Lindsay, R C L; Semmler, Carolyn; Weber, Nathan; Brewer, Neil; Lindsay, Marilyn R

2008-12-01

Witnesses observe crimes at various distances and the courts have to interpret their testimony given the likely quality of witnesses' views of events. We examined how accurately witnesses judged the distance between themselves and a target person, and how distance affected description accuracy, choosing behavior, and identification test accuracy. Over 1,300 participants were approached during normal daily activities, and asked to observe a target person at one of a number of possible distances. Under a Perception, Immediate Memory, or Delayed Memory condition, witnesses provided a brief description of the target, estimated the distance to the target, and then examined a 6-person target-present or target-absent lineup to see if they could identify the target. Errors in distance judgments were often substantial. Description accuracy was mediocre and did not vary systematically with distance. Identification choosing rates were not affected by distance, but decision accuracy declined with distance. Contrary to previous research, a 15-m viewing distance was not critical for discriminating accurate from inaccurate decisions.

Adaptive simplification of complex multiscale systems.

PubMed

Chiavazzo, Eliodoro; Karlin, Ilya

2011-03-01

A fully adaptive methodology is developed for reducing the complexity of large dissipative systems. This represents a significant step toward extracting essential physical knowledge from complex systems, by addressing the challenging problem of a minimal number of variables needed to exactly capture the system dynamics. Accurate reduced description is achieved, by construction of a hierarchy of slow invariant manifolds, with an embarrassingly simple implementation in any dimension. The method is validated with the autoignition of the hydrogen-air mixture where a reduction to a cascade of slow invariant manifolds is observed.

The global topography mission gains momentum

USGS Publications Warehouse

Farr, Tom; Evans, Diane; Zebker, Howard; Harding, David; Bufton, Jack; Dixon, Timothy; Vetrella, S.; Gesch, Dean B.

1995-01-01

An accurate description of the surface elevation of the Earth is of fundamental importance to many branches of Earth science. Continental topographic data are required for studies of hydrology, ecology, glaciology, geomorphology, and atmospheric circulation. For example, in hydrologic and terrestrial ecosystem studies, topography exerts significant control on intercepted solar radiation, water runoff and subsurface water inventory, microclimate, vegetation type and distribution, and soil development. The topography of the polar ice caps and mountain glaciers directly reflects ice-flow dynamics and is closely linked to global climate and sea level change.

Thermogravimetric analysis for rapid assessment of moisture diffusivity in polydisperse powder and thin film matrices.

PubMed

Thirunathan, Praveena; Arnz, Patrik; Husny, Joeska; Gianfrancesco, Alessandro; Perdana, Jimmy

2018-03-01

Accurate description of moisture diffusivity is key to precisely understand and predict moisture transfer behaviour in a matrix. Unfortunately, measuring moisture diffusivity is not trivial, especially at low moisture values and/or elevated temperatures. This paper presents a novel experimental procedure to accurately measure moisture diffusivity based on thermogravimetric approach. The procedure is capable to measure diffusivity even at elevated temperatures (>70°C) and low moisture values (>1%). Diffusivity was extracted from experimental data based on "regular regime approach". The approach was tailored to determine diffusivity from thin film and from poly-dispersed powdered samples. Subsequently, measured diffusivity was validated by comparing to available literature data, showing good agreement. Ability of this approach to accurately measure diffusivity at a wider range of temperatures provides better insight on temperature dependency of diffusivity. Thus, this approach can be crucial to ensure good accuracy of moisture transfer description/prediction especially when involving elevated temperatures. Copyright © 2017 Elsevier Ltd. All rights reserved.

Connecting single cell to collective cell behavior in a unified theoretical framework

NASA Astrophysics Data System (ADS)

George, Mishel; Bullo, Francesco; Campàs, Otger

Collective cell behavior is an essential part of tissue and organ morphogenesis during embryonic development, as well as of various disease processes, such as cancer. In contrast to many in vitro studies of collective cell migration, most cases of in vivo collective cell migration involve rather small groups of cells, with large sheets of migrating cells being less common. The vast majority of theoretical descriptions of collective cell behavior focus on large numbers of cells, but fail to accurately capture the dynamics of small groups of cells. Here we introduce a low-dimensional theoretical description that successfully captures single cell migration, cell collisions, collective dynamics in small groups of cells, and force propagation during sheet expansion, all within a common theoretical framework. Our description is derived from first principles and also includes key phenomenological aspects of cell migration that control the dynamics of traction forces. Among other results, we explain the counter-intuitive observations that pairs of cells repel each other upon collision while they behave in a coordinated manner within larger clusters.

Operation and model description of a sequencing batch reactor treating reject water for biological nitrogen removal via nitrite.

PubMed

Dosta, J; Galí, A; Benabdallah El-Hadj, T; Macé, S; Mata-Alvarez, J

2007-08-01

The aim of this study was the operation and model description of a sequencing batch reactor (SBR) for biological nitrogen removal (BNR) from a reject water (800-900 mg NH(4)(+)-NL(-1)) from a municipal wastewater treatment plant (WWTP). The SBR was operated with three cycles per day, temperature 30 degrees C, SRT 11 days and HRT 1 day. During the operational cycle, three alternating oxic/anoxic periods were performed to avoid alkalinity restrictions. Oxygen supply and working pH range were controlled to achieve the BNR via nitrite, which makes the process more economical. Under steady state conditions, a total nitrogen removal of 0.87 kg N (m(3)day)(-1) was reached. A four-step nitrogen removal model was developed to describe the process. This model enlarges the IWA activated sludge models for a more detailed description of the nitrogen elimination processes and their inhibitions. A closed intermittent-flow respirometer was set up for the estimation of the most relevant model parameters. Once calibrated, model predictions reproduced experimental data accurately.

Doppler-broadened NICE-OHMS beyond the cavity-limited weak absorption condition - II: Experimental verification

NASA Astrophysics Data System (ADS)

Hausmaninger, Thomas; Silander, Isak; Ma, Weiguang; Axner, Ove

2016-01-01

Doppler-broadened (Db) noise-immune cavity-enhanced optical heterodyne molecular spectrometry (NICE-OHMS) is normally described by an expression, here termed the conventional (CONV) description, that is restricted to the conventional cavity-limited weak absorption condition (CCLWA), i.e. when the single pass absorbance is significantly smaller than the empty cavity losses, i.e. when α0 L < < π / F. To describe NICE-OHMS signals beyond this limit two simplified extended descriptions (termed the extended locking and extended transmission description, ELET, and the extended locking and full transmission description, ELFT), which are assumed to be valid under the relaxed cavity-limited weak absorption condition (RCLWA), i.e. when α0 L < π / F, and a full description (denoted FULL), presumed to be valid also when the α0 L < π / F condition does not hold, have recently been derived in an accompanying work (Ma W, et al. Doppler-broadened NICE-OHMS beyond the cavity-limited weak absorption condition - I. Theoretical Description. J Quant Spectrosc Radiat Transfer, 2015, http://dx.doi.org/10.1016/j.jqsrt.2015.09.007). The present work constitutes an experimental verification and assessment of the validity of these, performed in the Doppler limit for a set of Fα0 L / π values (up to 3.5); it is shown under which conditions the various descriptions are valid. It is concluded that for samples with Fα0 L / π up to 0.01, all descriptions replicate the data well. It is shown that the CONV description is adequate and provides accurate assessments of the signal strength (and thereby the analyte concentration) up to Fα0 L / π of around 0.1, while the ELET is accurate for Fα0 L / π up to around 0.3. The ELFT description mimics the Db NICE-OHMS signal well for Fα0 L / π up to around unity, while the FULL description is adequate for all Fα0 L / π values investigated. Access to these descriptions both increases considerably the dynamic range of the technique and facilitates calibration using certified reference gases, which thereby significantly broadens the applicability of the Db NICE-OHMS technique.

Numerical models of volcanic eruption plumes: inter-comparison and sensitivity

NASA Astrophysics Data System (ADS)

Costa, Antonio; Suzuki, Yujiro; Folch, Arnau; Cioni, Raffaello

2016-10-01

The accurate description of the dynamics of convective plumes developed during explosive volcanic eruptions represents one of the most crucial and intriguing challenges in volcanology. Eruptive plume dynamics are significantly affected by complex interactions with the surrounding atmosphere, in the case of both strong eruption columns, rising vertically above the tropopause, and weak volcanic plumes, developing within the troposphere and often following bended trajectories. The understanding of eruptive plume dynamics is pivotal for estimating mass flow rates of volcanic sources, a crucial aspect for tephra dispersion models used to assess aviation safety and tephra fallout hazard. For these reasons, several eruption column models have been developed in the past decades, including the more recent sophisticated computational fluid dynamic models.

Numerical simulation of magmatic hydrothermal systems

USGS Publications Warehouse

Ingebritsen, S.E.; Geiger, S.; Hurwitz, S.; Driesner, T.

2010-01-01

The dynamic behavior of magmatic hydrothermal systems entails coupled and nonlinear multiphase flow, heat and solute transport, and deformation in highly heterogeneous media. Thus, quantitative analysis of these systems depends mainly on numerical solution of coupled partial differential equations and complementary equations of state (EOS). The past 2 decades have seen steady growth of computational power and the development of numerical models that have eliminated or minimized the need for various simplifying assumptions. Considerable heuristic insight has been gained from process-oriented numerical modeling. Recent modeling efforts employing relatively complete EOS and accurate transport calculations have revealed dynamic behavior that was damped by linearized, less accurate models, including fluid property control of hydrothermal plume temperatures and three-dimensional geometries. Other recent modeling results have further elucidated the controlling role of permeability structure and revealed the potential for significant hydrothermally driven deformation. Key areas for future reSearch include incorporation of accurate EOS for the complete H2O-NaCl-CO2 system, more realistic treatment of material heterogeneity in space and time, realistic description of large-scale relative permeability behavior, and intercode benchmarking comparisons. Copyright 2010 by the American Geophysical Union.

Funnel metadynamics as accurate binding free-energy method

PubMed Central

Limongelli, Vittorio; Bonomi, Massimiliano; Parrinello, Michele

2013-01-01

A detailed description of the events ruling ligand/protein interaction and an accurate estimation of the drug affinity to its target is of great help in speeding drug discovery strategies. We have developed a metadynamics-based approach, named funnel metadynamics, that allows the ligand to enhance the sampling of the target binding sites and its solvated states. This method leads to an efficient characterization of the binding free-energy surface and an accurate calculation of the absolute protein–ligand binding free energy. We illustrate our protocol in two systems, benzamidine/trypsin and SC-558/cyclooxygenase 2. In both cases, the X-ray conformation has been found as the lowest free-energy pose, and the computed protein–ligand binding free energy in good agreement with experiments. Furthermore, funnel metadynamics unveils important information about the binding process, such as the presence of alternative binding modes and the role of waters. The results achieved at an affordable computational cost make funnel metadynamics a valuable method for drug discovery and for dealing with a variety of problems in chemistry, physics, and material science. PMID:23553839

Communication: Accurate higher-order van der Waals coefficients between molecules from a model dynamic multipole polarizability

DOE PAGES

Tao, Jianmin; Rappe, Andrew M.

2016-01-20

Due to the absence of the long-range van der Waals (vdW) interaction, conventional density functional theory (DFT) often fails in the description of molecular complexes and solids. In recent years, considerable progress has been made in the development of the vdW correction. However, the vdW correction based on the leading-order coefficient C 6 alone can only achieve limited accuracy, while accurate modeling of higher-order coefficients remains a formidable task, due to the strong non-additivity effect. Here, we apply a model dynamic multipole polarizability within a modified single-frequency approximation to calculate C 8 and C 10 between small molecules. We findmore » that the higher-order vdW coefficients from this model can achieve remarkable accuracy, with mean absolute relative deviations of 5% for C 8 and 7% for C 10. As a result, inclusion of accurate higher-order contributions in the vdW correction will effectively enhance the predictive power of DFT in condensed matter physics and quantum chemistry.« less

Focus group discussion in mathematical physics learning

NASA Astrophysics Data System (ADS)

Ellianawati; Rudiana, D.; Sabandar, J.; Subali, B.

2018-03-01

The Focus Group Discussion (FGD) activity in Mathematical Physics learning has helped students perform the stages of problem solving reflectively. The FGD implementation was conducted to explore the problems and find the right strategy to improve the students' ability to solve the problem accurately which is one of reflective thinking component that has been difficult to improve. The research method used is descriptive qualitative by using single subject response in Physics student. During the FGD process, one student was observed of her reflective thinking development in solving the physics problem. The strategy chosen in the discussion activity was the Cognitive Apprenticeship-Instruction (CA-I) syntax. Based on the results of this study, it is obtained the information that after going through a series of stages of discussion, the students' reflective thinking skills is increased significantly. The scaffolding stage in the CA-I model plays an important role in the process of solving physics problems accurately. Students are able to recognize and formulate problems by describing problem sketches, identifying the variables involved, applying mathematical equations that accord to physics concepts, executing accurately, and applying evaluation by explaining the solution to various contexts.

Communicating Experimental Findings in Single Case Design Research: How to Use Celeration Values and Celeration Multipliers to Measure Direction, Magnitude, and Change of Slope

ERIC Educational Resources Information Center

Datchuk, Shawn M.; Kubina, Richard M., Jr.

2011-01-01

The accumulation of scientific knowledge greatly depends upon the critical review of experimental findings by ones peers. In single case design research, experimenters present findings with graphical displays of data and narrative description of a visual analysis. To aid in efficient and accurate description of experimental findings, the research…

A Project Manager’s Personal Attributes as Predictors for Success

DTIC Science & Technology

2007-03-01

Northouse (2004) explains that leadership is highly a researched topic with much written. Yet, a definitive description of this phenomenon is difficult to...express because of its complexity. Even though leadership has varied descriptions and conceptualizations, Northouse states that the concept of...characteristic of leadership is not an accurate predictor of performance. Leadership is a complex, multi-faceted attribute ( Northouse , 2004) and specific

Reframing Serial Murder Within Empirical Research.

PubMed

Gurian, Elizabeth A

2017-04-01

Empirical research on serial murder is limited due to the lack of consensus on a definition, the continued use of primarily descriptive statistics, and linkage to popular culture depictions. These limitations also inhibit our understanding of these offenders and affect credibility in the field of research. Therefore, this comprehensive overview of a sample of 508 cases (738 total offenders, including partnered groups of two or more offenders) provides analyses of solo male, solo female, and partnered serial killers to elucidate statistical differences and similarities in offending and adjudication patterns among the three groups. This analysis of serial homicide offenders not only supports previous research on offending patterns present in the serial homicide literature but also reveals that empirically based analyses can enhance our understanding beyond traditional case studies and descriptive statistics. Further research based on these empirical analyses can aid in the development of more accurate classifications and definitions of serial murderers.

SKYMAP system description: Star catalog data base generation and utilization

NASA Technical Reports Server (NTRS)

Gottlieb, D. M.

1979-01-01

The specifications, design, software description, and use of the SKYMAP star catalog system are detailed. The SKYMAP system was developed to provide an accurate and complete catalog of all stars with blue or visual magnitudes brighter than 9.0 for use by attitude determination programs. Because of the large number of stars which are brighter than 9.0 magnitude, efficient techniques of manipulating and accessing the data were required. These techniques of staged distillation of data from a Master Catalog to a Core Catalog, and direct access of overlapping zone catalogs, form the basis of the SKYMAP system. The collection and tranformation of data required to produce the Master Catalog data base is described. The data flow through the main programs and levels of star catalogs is detailed. The mathematical and logical techniques for each program and the format of all catalogs are documented.

WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor Docking.

PubMed

Murphy, Robert B; Repasky, Matthew P; Greenwood, Jeremy R; Tubert-Brohman, Ivan; Jerome, Steven; Annabhimoju, Ramakrishna; Boyles, Nicholas A; Schmitz, Christopher D; Abel, Robert; Farid, Ramy; Friesner, Richard A

2016-05-12

We have developed a new methodology for protein-ligand docking and scoring, WScore, incorporating a flexible description of explicit water molecules. The locations and thermodynamics of the waters are derived from a WaterMap molecular dynamics simulation. The water structure is employed to provide an atomic level description of ligand and protein desolvation. WScore also contains a detailed model for localized ligand and protein strain energy and integrates an MM-GBSA scoring component with these terms to assess delocalized strain of the complex. Ensemble docking is used to take into account induced fit effects on the receptor conformation, and protein reorganization free energies are assigned via fitting to experimental data. The performance of the method is evaluated for pose prediction, rank ordering of self-docked complexes, and enrichment in virtual screening, using a large data set of PDB complexes and compared with the Glide SP and Glide XP models; significant improvements are obtained.

A Coarse-Grained Protein Model in a Water-like Solvent

NASA Astrophysics Data System (ADS)

Sharma, Sumit; Kumar, Sanat K.; Buldyrev, Sergey V.; Debenedetti, Pablo G.; Rossky, Peter J.; Stanley, H. Eugene

2013-05-01

Simulations employing an explicit atom description of proteins in solvent can be computationally expensive. On the other hand, coarse-grained protein models in implicit solvent miss essential features of the hydrophobic effect, especially its temperature dependence, and have limited ability to capture the kinetics of protein folding. We propose a free space two-letter protein (``H-P'') model in a simple, but qualitatively accurate description for water, the Jagla model, which coarse-grains water into an isotropically interacting sphere. Using Monte Carlo simulations, we design protein-like sequences that can undergo a collapse, exposing the ``Jagla-philic'' monomers to the solvent, while maintaining a ``hydrophobic'' core. This protein-like model manifests heat and cold denaturation in a manner that is reminiscent of proteins. While this protein-like model lacks the details that would introduce secondary structure formation, we believe that these ideas represent a first step in developing a useful, but computationally expedient, means of modeling proteins.

Belowground Carbon Cycling Processes at the Molecular Scale: An EMSL Science Theme Advisory Panel Workshop

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

Hess, Nancy J.; Brown, Gordon E.; Plata, Charity

2014-02-21

As part of the Belowground Carbon Cycling Processes at the Molecular Scale workshop, an EMSL Science Theme Advisory Panel meeting held in February 2013, attendees discussed critical biogeochemical processes that regulate carbon cycling in soil. The meeting attendees determined that as a national scientific user facility, EMSL can provide the tools and expertise needed to elucidate the molecular foundation that underlies mechanistic descriptions of biogeochemical processes that control carbon allocation and fluxes at the terrestrial/atmospheric interface in landscape and regional climate models. Consequently, the workshop's goal was to identify the science gaps that hinder either development of mechanistic description ofmore » critical processes or their accurate representation in climate models. In part, this report offers recommendations for future EMSL activities in this research area. The workshop was co-chaired by Dr. Nancy Hess (EMSL) and Dr. Gordon Brown (Stanford University).« less

Theoretical and Empirical Descriptions of Thermospheric Density

NASA Astrophysics Data System (ADS)

Solomon, S. C.; Qian, L.

2004-12-01

The longest-term and most accurate overall description the density of the upper thermosphere is provided by analysis of change in the ephemeris of Earth-orbiting satellites. Empirical models of the thermosphere developed in part from these measurements can do a reasonable job of describing thermospheric properties on a climatological basis, but the promise of first-principles global general circulation models of the coupled thermosphere/ionosphere system is that a true high-resolution, predictive capability may ultimately be developed for thermospheric density. However, several issues are encountered when attempting to tune such models so that they accurately represent absolute densities as a function of altitude, and their changes on solar-rotational and solar-cycle time scales. Among these are the crucial ones of getting the heating rates (from both solar and auroral sources) right, getting the cooling rates right, and establishing the appropriate boundary conditions. However, there are several ancillary issues as well, such as the problem of registering a pressure-coordinate model onto an altitude scale, and dealing with possible departures from hydrostatic equilibrium in empirical models. Thus, tuning a theoretical model to match empirical climatology may be difficult, even in the absence of high temporal or spatial variation of the energy sources. We will discuss some of the challenges involved, and show comparisons of simulations using the NCAR Thermosphere-Ionosphere-Electrodynamics General Circulation Model (TIE-GCM) to empirical model estimates of neutral thermosphere density and temperature. We will also show some recent simulations using measured solar irradiance from the TIMED/SEE instrument as input to the TIE-GCM.

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

Van Vleet, Mary J.; Misquitta, Alston J.; Stone, Anthony J.

Short-range repulsion within inter-molecular force fields is conventionally described by either Lennard-Jones or Born-Mayer forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of inter-molecular distances, thus creating challenges in the development of ab initio force fields and potentially leading to decreased accuracy and transferability. Herein, we derive a novel short-range functional form based on a simple Slater-like model of overlapping atomic densities and an iterated stockholder atom (ISA) partitioning of the molecular electron density. We demonstrate that this Slater-ISA methodology yields a more accurate, transferable, andmore » robust description of the short-range interactions at minimal additional computational cost compared to standard Lennard-Jones or Born-Mayer approaches. Lastly, we show how this methodology can be adapted to yield the standard Born-Mayer functional form while still retaining many of the advantages of the Slater-ISA approach.« less

IBS for non-gaussian distributions

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

Fedotov, A.; Sidorin, A.O.; Smirnov, A.V.

In many situations distribution can significantly deviate from Gaussian which requires accurate treatment of IBS. Our original interest in this problem was motivated by the need to have an accurate description of beam evolution due to IBS while distribution is strongly affected by the external electron cooling force. A variety of models with various degrees of approximation were developed and implemented in BETACOOL in the past to address this topic. A more complete treatment based on the friction coefficient and full 3-D diffusion tensor was introduced in BETACOOL at the end of 2007 under the name 'local IBS model'. Suchmore » a model allowed us calculation of IBS for an arbitrary beam distribution. The numerical benchmarking of this local IBS algorithm and its comparison with other models was reported before. In this paper, after briefly describing the model and its limitations, they present its comparison with available experimental data.« less

A useful approximation for the flat surface impulse response

NASA Technical Reports Server (NTRS)

Brown, Gary S.

1989-01-01

The flat surface impulse response (FSIR) is a very useful quantity in computing the mean return power for near-nadir-oriented short-pulse radar altimeters. However, for very small antenna beamwidths and relatively large pointing angles, previous analytical descriptions become very difficult to compute accurately. An asymptotic approximation is developed to overcome these computational problems. Since accuracy is of key importance, a condition is developed under which this solution is within 2 percent of the exact answer. The asymptotic solution is shown to be in functional agreement with a conventional clutter power result and gives a 1.25-dB correction to this formula to account properly for the antenna-pattern variation over the illuminated area.

Digital Mapping and Environmental Characterization of National Wild and Scenic River Systems

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

McManamay, Ryan A; Bosnall, Peter; Hetrick, Shelaine L

2013-09-01

Spatially accurate geospatial information is required to support decision-making regarding sustainable future hydropower development. Under a memorandum of understanding among several federal agencies, a pilot study was conducted to map a subset of National Wild and Scenic Rivers (WSRs) at a higher resolution and provide a consistent methodology for mapping WSRs across the United States and across agency jurisdictions. A subset of rivers (segments falling under the jurisdiction of the National Park Service) were mapped at a high resolution using the National Hydrography Dataset (NHD). The spatial extent and representation of river segments mapped at NHD scale were compared withmore » the prevailing geospatial coverage mapped at a coarser scale. Accurately digitized river segments were linked to environmental attribution datasets housed within the Oak Ridge National Laboratory s National Hydropower Asset Assessment Program database to characterize the environmental context of WSR segments. The results suggest that both the spatial scale of hydrography datasets and the adherence to written policy descriptions are critical to accurately mapping WSRs. The environmental characterization provided information to deduce generalized trends in either the uniqueness or the commonness of environmental variables associated with WSRs. Although WSRs occur in a wide range of human-modified landscapes, environmental data layers suggest that they provide habitats important to terrestrial and aquatic organisms and recreation important to humans. Ultimately, the research findings herein suggest that there is a need for accurate, consistent, mapping of the National WSRs across the agencies responsible for administering each river. Geospatial applications examining potential landscape and energy development require accurate sources of information, such as data layers that portray realistic spatial representations.« less

The history of facial palsy and spasm

PubMed Central

Sajadi, Mohamad-Reza M.; Tabatabaie, Seyed Mahmoud

2011-01-01

Although Sir Charles Bell was the first to provide the anatomic basis for the condition that bears his name, in recent years researchers have shown that other European physicians provided earlier clinical descriptions of peripheral cranial nerve 7 palsy. In this article, we describe the history of facial distortion by Greek, Roman, and Persian physicians, culminating in Razi's detailed description in al-Hawi. Razi distinguished facial muscle spasm from paralysis, distinguished central from peripheral lesions, gave the earliest description of loss of forehead wrinkling, and gave the earliest known description of bilateral facial palsy. In doing so, he accurately described the clinical hallmarks of a condition that we recognize as Bell palsy. PMID:21747074

40 CFR 35.6555 - Competition.

Code of Federal Regulations, 2011 CFR

2011-07-01

... specifications must include a clear and accurate description of the technical requirements and the qualitative... innovative technologies. (2) The recipient must avoid the use of detailed product specifications if at all...

WEST-3 wind turbine simulator development

NASA Technical Reports Server (NTRS)

Hoffman, J. A.; Sridhar, S.

1985-01-01

The software developed for WEST-3, a new, all digital, and fully programmable wind turbine simulator is given. The process of wind turbine simulation on WEST-3 is described in detail. The major steps are, the processing of the mathematical models, the preparation of the constant data, and the use of system software generated executable code for running on WEST-3. The mechanics of reformulation, normalization, and scaling of the mathematical models is discussed in detail, in particulr, the significance of reformulation which leads to accurate simulations. Descriptions for the preprocessor computer programs which are used to prepare the constant data needed in the simulation are given. These programs, in addition to scaling and normalizing all the constants, relieve the user from having to generate a large number of constants used in the simulation. Also given are brief descriptions of the components of the WEST-3 system software: Translator, Assembler, Linker, and Loader. Also included are: details of the aeroelastic rotor analysis, which is the center of a wind turbine simulation model, analysis of the gimbal subsystem; and listings of the variables, constants, and equations used in the simulation.

Reproducible computational biology experiments with SED-ML--the Simulation Experiment Description Markup Language.

PubMed

Waltemath, Dagmar; Adams, Richard; Bergmann, Frank T; Hucka, Michael; Kolpakov, Fedor; Miller, Andrew K; Moraru, Ion I; Nickerson, David; Sahle, Sven; Snoep, Jacky L; Le Novère, Nicolas

2011-12-15

The increasing use of computational simulation experiments to inform modern biological research creates new challenges to annotate, archive, share and reproduce such experiments. The recently published Minimum Information About a Simulation Experiment (MIASE) proposes a minimal set of information that should be provided to allow the reproduction of simulation experiments among users and software tools. In this article, we present the Simulation Experiment Description Markup Language (SED-ML). SED-ML encodes in a computer-readable exchange format the information required by MIASE to enable reproduction of simulation experiments. It has been developed as a community project and it is defined in a detailed technical specification and additionally provides an XML schema. The version of SED-ML described in this publication is Level 1 Version 1. It covers the description of the most frequent type of simulation experiments in the area, namely time course simulations. SED-ML documents specify which models to use in an experiment, modifications to apply on the models before using them, which simulation procedures to run on each model, what analysis results to output, and how the results should be presented. These descriptions are independent of the underlying model implementation. SED-ML is a software-independent format for encoding the description of simulation experiments; it is not specific to particular simulation tools. Here, we demonstrate that with the growing software support for SED-ML we can effectively exchange executable simulation descriptions. With SED-ML, software can exchange simulation experiment descriptions, enabling the validation and reuse of simulation experiments in different tools. Authors of papers reporting simulation experiments can make their simulation protocols available for other scientists to reproduce the results. Because SED-ML is agnostic about exact modeling language(s) used, experiments covering models from different fields of research can be accurately described and combined.

New Developments in Cathodoluminescence Spectroscopy for the Study of Luminescent Materials

PubMed Central

den Engelsen, Daniel; Fern, George R.; Harris, Paul G.; Ireland, Terry G.; Silver, Jack

2017-01-01

Herein, we describe three advanced techniques for cathodoluminescence (CL) spectroscopy that have recently been developed in our laboratories. The first is a new method to accurately determine the CL-efficiency of thin layers of phosphor powders. When a wide band phosphor with a band gap (Eg > 5 eV) is bombarded with electrons, charging of the phosphor particles will occur, which eventually leads to erroneous results in the determination of the luminous efficacy. To overcome this problem of charging, a comparison method has been developed, which enables accurate measurement of the current density of the electron beam. The study of CL from phosphor specimens in a scanning electron microscope (SEM) is the second subject to be treated. A detailed description of a measuring method to determine the overall decay time of single phosphor crystals in a SEM without beam blanking is presented. The third technique is based on the unique combination of microscopy and spectrometry in the transmission electron microscope (TEM) of Brunel University London (UK). This combination enables the recording of CL-spectra of nanometre-sized specimens and determining spatial variations in CL emission across individual particles by superimposing the scanning TEM and CL-images. PMID:28772671

Molecular hydrodynamics: Vortex formation and sound wave propagation

DOE PAGES

Han, Kyeong Hwan; Kim, Changho; Talkner, Peter; ...

2018-01-14

In the present study, quantitative feasibility tests of the hydrodynamic description of a two-dimensional fluid at the molecular level are performed, both with respect to length and time scales. Using high-resolution fluid velocity data obtained from extensive molecular dynamics simulations, we computed the transverse and longitudinal components of the velocity field by the Helmholtz decomposition and compared them with those obtained from the linearized Navier-Stokes (LNS) equations with time-dependent transport coefficients. By investigating the vortex dynamics and the sound wave propagation in terms of these field components, we confirm the validity of the LNS description for times comparable to ormore » larger than several mean collision times. The LNS description still reproduces the transverse velocity field accurately at smaller times, but it fails to predict characteristic patterns of molecular origin visible in the longitudinal velocity field. Based on these observations, we validate the main assumptions of the mode-coupling approach. The assumption that the velocity autocorrelation function can be expressed in terms of the fluid velocity field and the tagged particle distribution is found to be remarkably accurate even for times comparable to or smaller than the mean collision time. This suggests that the hydrodynamic-mode description remains valid down to the molecular scale.« less

High precision analytical description of the allowed β spectrum shape

NASA Astrophysics Data System (ADS)

Hayen, Leendert; Severijns, Nathal; Bodek, Kazimierz; Rozpedzik, Dagmara; Mougeot, Xavier

2018-01-01

A fully analytical description of the allowed β spectrum shape is given in view of ongoing and planned measurements. Its study forms an invaluable tool in the search for physics beyond the standard electroweak model and the weak magnetism recoil term. Contributions stemming from finite size corrections, mass effects, and radiative corrections are reviewed. Particular focus is placed on atomic and chemical effects, where the existing description is extended and analytically provided. The effects of QCD-induced recoil terms are discussed, and cross-checks were performed for different theoretical formalisms. Special attention was given to a comparison of the treatment of nuclear structure effects in different formalisms. Corrections were derived for both Fermi and Gamow-Teller transitions, and methods of analytical evaluation thoroughly discussed. In its integrated form, calculated f values were in agreement with the most precise numerical results within the aimed for precision. The need for an accurate evaluation of weak magnetism contributions was stressed, and the possible significance of the oft-neglected induced pseudoscalar interaction was noted. Together with improved atomic corrections, an analytical description was presented of the allowed β spectrum shape accurate to a few parts in 10-4 down to 1 keV for low to medium Z nuclei, thereby extending the work by previous authors by nearly an order of magnitude.

Molecular hydrodynamics: Vortex formation and sound wave propagation

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

Han, Kyeong Hwan; Kim, Changho; Talkner, Peter

In the present study, quantitative feasibility tests of the hydrodynamic description of a two-dimensional fluid at the molecular level are performed, both with respect to length and time scales. Using high-resolution fluid velocity data obtained from extensive molecular dynamics simulations, we computed the transverse and longitudinal components of the velocity field by the Helmholtz decomposition and compared them with those obtained from the linearized Navier-Stokes (LNS) equations with time-dependent transport coefficients. By investigating the vortex dynamics and the sound wave propagation in terms of these field components, we confirm the validity of the LNS description for times comparable to ormore » larger than several mean collision times. The LNS description still reproduces the transverse velocity field accurately at smaller times, but it fails to predict characteristic patterns of molecular origin visible in the longitudinal velocity field. Based on these observations, we validate the main assumptions of the mode-coupling approach. The assumption that the velocity autocorrelation function can be expressed in terms of the fluid velocity field and the tagged particle distribution is found to be remarkably accurate even for times comparable to or smaller than the mean collision time. This suggests that the hydrodynamic-mode description remains valid down to the molecular scale.« less

Linking Policy | Smokefree 60+

Cancer.gov

Links to individual pages within the Smokefree 60+ website are permissible, provided attribution is made to 60plus.smokefree.gov and any descriptive notes accurately reflect the content of the linked page(s).

An empirical description of the dispersion of 5th and 95th percentiles in worldwide anthropometric data applied to estimating accommodation with unknown correlation values.

PubMed

Albin, Thomas J; Vink, Peter

2015-01-01

Anthropometric data are assumed to have a Gaussian (Normal) distribution, but if non-Gaussian, accommodation estimates are affected. When data are limited, users may choose to combine anthropometric elements by Combining Percentiles (CP) (adding or subtracting), despite known adverse effects. This study examined whether global anthropometric data are Gaussian distributed. It compared the Median Correlation Method (MCM) of combining anthropometric elements with unknown correlations to CP to determine if MCM provides better estimates of percentile values and accommodation. Percentile values of 604 male and female anthropometric data drawn from seven countries worldwide were expressed as standard scores. The standard scores were tested to determine if they were consistent with a Gaussian distribution. Empirical multipliers for determining percentile values were developed.In a test case, five anthropometric elements descriptive of seating were combined in addition and subtraction models. Percentile values were estimated for each model by CP, MCM with Gaussian distributed data, or MCM with empirically distributed data. The 5th and 95th percentile values of a dataset of global anthropometric data are shown to be asymmetrically distributed. MCM with empirical multipliers gave more accurate estimates of 5th and 95th percentiles values. Anthropometric data are not Gaussian distributed. The MCM method is more accurate than adding or subtracting percentiles.

Segmental Analysis of Cardiac Short-Axis Views Using Lagrangian Radial and Circumferential Strain.

PubMed

Ma, Chi; Wang, Xiao; Varghese, Tomy

2016-11-01

Accurate description of myocardial deformation in the left ventricle is a three-dimensional problem, requiring three normal strain components along its natural axis, that is, longitudinal, radial, and circumferential strains. Although longitudinal strains are best estimated from long-axis views, radial and circumferential strains are best depicted in short-axis views. An algorithm that utilizes a polar grid for short-axis views previously developed in our laboratory for a Lagrangian description of tissue deformation is utilized for radial and circumferential displacement and strain estimation. Deformation of the myocardial wall, utilizing numerical simulations with ANSYS, and a finite-element analysis-based canine heart model were adapted as the input to a frequency-domain ultrasound simulation program to generate radiofrequency echo signals. Clinical in vivo data were also acquired from a healthy volunteer. Local displacements estimated along and perpendicular to the ultrasound beam propagation direction are then transformed into radial and circumferential displacements and strains using the polar grid based on a pre-determined centroid location. Lagrangian strain variations demonstrate good agreement with the ideal strain when compared with Eulerian results. Lagrangian radial and circumferential strain estimation results are also demonstrated for experimental data on a healthy volunteer. Lagrangian radial and circumferential strain tracking provide accurate results with the assistance of the polar grid, as demonstrated using both numerical simulations and in vivo study. © The Author(s) 2015.

Segmental Analysis of Cardiac Short-Axis Views Using Lagrangian Radial and Circumferential Strain

PubMed Central

Ma, Chi; Wang, Xiao; Varghese, Tomy

2016-01-01

Accurate description of myocardial deformation in the left ventricle is a three-dimensional problem, requiring three normal strain components along its natural axis, that is, longitudinal, radial, and circumferential strains. Although longitudinal strains are best estimated from long-axis views, radial and circumferential strains are best depicted in short-axis views. An algorithm that utilizes a polar grid for short-axis views previously developed in our laboratory for a Lagrangian description of tissue deformation is utilized for radial and circumferential displacement and strain estimation. Deformation of the myocardial wall, utilizing numerical simulations with ANSYS, and a finite-element analysis–based canine heart model were adapted as the input to a frequency-domain ultrasound simulation program to generate radiofrequency echo signals. Clinical in vivo data were also acquired from a healthy volunteer. Local displacements estimated along and perpendicular to the ultrasound beam propagation direction are then transformed into radial and circumferential displacements and strains using the polar grid based on a pre-determined centroid location. Lagrangian strain variations demonstrate good agreement with the ideal strain when compared with Eulerian results. Lagrangian radial and circumferential strain estimation results are also demonstrated for experimental data on a healthy volunteer. Lagrangian radial and circumferential strain tracking provide accurate results with the assistance of the polar grid, as demonstrated using both numerical simulations and in vivo study. PMID:26578642

On some approaches to model reversible magnetization processes

NASA Astrophysics Data System (ADS)

Chwastek, K.; Baghel, A. P. S.; Sai Ram, B.; Borowik, B.; Daniel, L.; Kulkarni, S. V.

2018-04-01

This paper focuses on the problem of how reversible magnetization processes are taken into account in contemporary descriptions of hysteresis curves. For comparison, three versions of the phenomenological T(x) model based on hyperbolic tangent mapping are considered. Two of them are based on summing the output of the hysteresis operator with a linear or nonlinear mapping. The third description is inspired by the concept of the product Preisach model. Total susceptibility is modulated with a magnetization-dependent function. The models are verified using measurement data for grain-oriented electrical steel. The proposed third description represents minor loops most accurately.

Oceanography from satellites

NASA Technical Reports Server (NTRS)

Wilson, W. S.

1981-01-01

It is pointed out that oceanographers have benefited from the space program mainly through the increased efficiency it has brought to ship operations. For example, the Transit navigation system has enabled oceanographers to compile detailed maps of sea-floor properties and to more accurately locate moored subsurface instrumentation. General descriptions are given of instruments used in satellite observations (altimeter, color scanner, infrared radiometer, microwave radiometer, scatterometer, synthetic aperture radar). It is pointed out that because of the large volume of data that satellite instruments generate, the development of algorithms for converting the data into a form expressed in geophysical units has become especially important.

Wurtzite Spin-Lasers

NASA Astrophysics Data System (ADS)

Xu, Gaofeng; Faria Junior, Paulo E.; Sipahi, Guilherme M.; Zutic, Igor

Lasers in which spin-polarized carriers are injected provide paths to different practical room temperature spintronic devices, not limited to magnetoresistive effects. While theoretical studies of such spin-lasers have focused on zinc-blende semiconductors as their active regions, the first electrically injected carriers at room temperature were recently demonstrated in GaN-based wurtzite semiconductors, recognized also for the key role as highly-efficient light emitting diodes. By focusing on a wurtzite quantum well-based spin-laser, we use accurate electronic structure calculations to develop a microscopic description for its lasing properties. We discuss important differences between wurtzite and zinc-blende spin-lasers.

Functional Sub-states by High-pressure Macromolecular Crystallography.

PubMed

Dhaussy, Anne-Claire; Girard, Eric

2015-01-01

At the molecular level, high-pressure perturbation is of particular interest for biological studies as it allows trapping conformational substates. Moreover, within the context of high-pressure adaptation of deep-sea organisms, it allows to decipher the molecular determinants of piezophily. To provide an accurate description of structural changes produced by pressure in a macromolecular system, developments have been made to adapt macromolecular crystallography to high-pressure studies. The present chapter is an overview of results obtained so far using high-pressure macromolecular techniques, from nucleic acids to virus capsid through monomeric as well as multimeric proteins.

Method for a quantitative investigation of the frozen flow hypothesis

PubMed

Schock; Spillar

2000-09-01

We present a technique to test the frozen flow hypothesis quantitatively, using data from wave-front sensors such as those found in adaptive optics systems. Detailed treatments of the theoretical background of the method and of the error analysis are presented. Analyzing data from the 1.5-m and 3.5-m telescopes at the Starfire Optical Range, we find that the frozen flow hypothesis is an accurate description of the temporal development of atmospheric turbulence on time scales of the order of 1-10 ms but that significant deviations from the frozen flow behavior are present for longer time scales.

Fast and accurate modeling of nonlinear pulse propagation in graded-index multimode fibers.

PubMed

Conforti, Matteo; Mas Arabi, Carlos; Mussot, Arnaud; Kudlinski, Alexandre

2017-10-01

We develop a model for the description of nonlinear pulse propagation in multimode optical fibers with a parabolic refractive index profile. It consists of a 1+1D generalized nonlinear Schrödinger equation with a periodic nonlinear coefficient, which can be solved in an extremely fast and efficient way. The model is able to quantitatively reproduce recently observed phenomena like geometric parametric instability and broadband dispersive wave emission. We envisage that our equation will represent a valuable tool for the study of spatiotemporal nonlinear dynamics in the growing field of multimode fiber optics.

Development of new techniques for the characterization of crystals and their growth solutions: Center director's discretionary fund

NASA Technical Reports Server (NTRS)

Kroes, Roger L.; Reiss, Donald A.

1989-01-01

The solubility measurement system and the laser scattering microscope system were designed, built, and utilized for the study of crystal growth solutions and crystal characterization measurements. Solubility measurements and crystal defect maps were made with this equipment for a number of new materials. In some cases, where there have been published solubility data (i.e., TGS), more accurate measurements were made and discrepancies in the published data were resolved. The design of these instruments is presented along with a description of their use and some typical data generated using them.

Spin relaxation in quantum dots due to electron exchange with leads.

PubMed

Vorontsov, A B; Vavilov, M G

2008-11-28

We calculate spin relaxation rates in lateral quantum dot systems due to electron exchange between dots and leads. Using rate equations, we develop a theoretical description of the experimentally observed electric current in the spin blockade regime of double quantum dots. A single expression fits the entire current profile and describes the structure of both the conduction peaks and the suppressed ("valley") region. Extrinsic rates calculated here have to be taken into account for accurate extraction of intrinsic relaxation rates due to the spin-orbit and hyperfine spin scattering mechanisms from spin blockade measurements.

Descriptive and numeric estimation of risk for psychotic disorders among affected individuals and relatives: Implications for clinical practice

PubMed Central

Austin, Jehannine C.; Hippman, Catriona; Honer, William G.

2013-01-01

Studies show that individuals with psychotic illnesses and their families want information about psychosis risks for other relatives. However, deriving accurate numeric probabilities for psychosis risk is challenging, and people have difficulty interpreting probabilistic information, thus some have suggested that clinicians should use risk descriptors, such as ‘moderate’ or ‘quite high’, rather than numbers. Little is known about how individuals with psychosis and their family members use quantitative and qualitative descriptors of risk in the specific context of chance for an individual to develop psychosis. We explored numeric and descriptive estimations of psychosis risk among individuals with psychotic disorders and unaffected first-degree relatives. In an online survey, respondents numerically and descriptively estimated risk for an individual to develop psychosis in scenarios where they had: A) no affected family members; and B) an affected sibling. 219 affected individuals and 211 first-degree relatives participated. Affected individuals estimated significantly higher risks than relatives. Participants attributed all descriptors between “very low” and “very high” to probabilities of 1%, 10%, 25% and 50%+. For a given numeric probability, different risk descriptors were attributed in different scenarios. Clinically, brief interventions around risk (using either probabilities or descriptors alone) are vulnerable to miscommunication and potentially profoundly negative consequences –interventions around risk are best suited to in-depth discussion. PMID:22421074

Descriptive and numeric estimation of risk for psychotic disorders among affected individuals and relatives: implications for clinical practice.

PubMed

Austin, Jehannine C; Hippman, Catriona; Honer, William G

2012-03-30

Studies show that individuals with psychotic illnesses and their families want information about psychosis risks for other relatives. However, deriving accurate numeric probabilities for psychosis risk is challenging, and people have difficulty interpreting probabilistic information; thus, some have suggested that clinicians should use risk descriptors, such as "moderate" or "quite high", rather than numbers. Little is known about how individuals with psychosis and their family members use quantitative and qualitative descriptors of risk in the specific context of chance for an individual to develop psychosis. We explored numeric and descriptive estimations of psychosis risk among individuals with psychotic disorders and unaffected first-degree relatives. In an online survey, respondents numerically and descriptively estimated risk for an individual to develop psychosis in scenarios where they had: A) no affected family members; and B) an affected sibling. Participants comprised 219 affected individuals and 211 first-degree relatives participated. Affected individuals estimated significantly higher risks than relatives. Participants attributed all descriptors between "very low" and "very high" to probabilities of 1%, 10%, 25% and 50%+. For a given numeric probability, different risk descriptors were attributed in different scenarios. Clinically, brief interventions around risk (using either probabilities or descriptors alone) are vulnerable to miscommunication and potentially negative consequences-interventions around risk are best suited to in-depth discussion. Copyright © 2012 Elsevier Ltd. All rights reserved.

Getting the Right Answers for the Right Reasons: Toward Predictive Molecular Simulations of Water with Many-Body Potential Energy Functions.

PubMed

Paesani, Francesco

2016-09-20

The central role played by water in fundamental processes relevant to different disciplines, including chemistry, physics, biology, materials science, geology, and climate research, cannot be overemphasized. It is thus not surprising that, since the pioneering work by Stillinger and Rahman, many theoretical and computational studies have attempted to develop a microscopic description of the unique properties of water under different thermodynamic conditions. Consequently, numerous molecular models based on either molecular mechanics or ab initio approaches have been proposed over the years. However, despite continued progress, the correct prediction of the properties of water from small gas-phase clusters to the liquid phase and ice through a single molecular model remains challenging. To large extent, this is due to the difficulties encountered in the accurate modeling of the underlying hydrogen-bond network in which both number and strength of the hydrogen bonds vary continuously as a result of a subtle interplay between energetic, entropic, and nuclear quantum effects. In the past decade, the development of efficient algorithms for correlated electronic structure calculations of small molecular complexes, accompanied by tremendous progress in the analytical representation of multidimensional potential energy surfaces, opened the doors to the design of highly accurate potential energy functions built upon rigorous representations of the many-body expansion (MBE) of the interaction energies. This Account provides a critical overview of the performance of the MB-pol many-body potential energy function through a systematic analysis of energetic, structural, thermodynamic, and dynamical properties as well as of vibrational spectra of water from the gas to the condensed phase. It is shown that MB-pol achieves unprecedented accuracy across all phases of water through a quantitative description of each individual term of the MBE, with a physically correct representation of both short- and long-range many-body contributions. Comparisons with experimental data probing different regions of the water potential energy surface from clusters to bulk demonstrate that MB-pol represents a major step toward the long-sought-after "universal model" capable of accurately describing the molecular properties of water under different conditions and in different environments. Along this path, future challenges include the extension of the many-body scheme adopted by MB-pol to the description of generic solutes as well as the integration of MB-pol in an efficient theoretical and computational framework to model acid-base reactions in aqueous environments. In this context, given the nontraditional form of the MB-pol energy and force expressions, synergistic efforts by theoretical/computational chemists/physicists and computer scientists will be critical for the development of high-performance software for many-body molecular dynamics simulations.

Molecular acidity: An accurate description with information-theoretic approach in density functional reactivity theory.

PubMed

Cao, Xiaofang; Rong, Chunying; Zhong, Aiguo; Lu, Tian; Liu, Shubin

2018-01-15

Molecular acidity is one of the important physiochemical properties of a molecular system, yet its accurate calculation and prediction are still an unresolved problem in the literature. In this work, we propose to make use of the quantities from the information-theoretic (IT) approach in density functional reactivity theory and provide an accurate description of molecular acidity from a completely new perspective. To illustrate our point, five different categories of acidic series, singly and doubly substituted benzoic acids, singly substituted benzenesulfinic acids, benzeneseleninic acids, phenols, and alkyl carboxylic acids, have been thoroughly examined. We show that using IT quantities such as Shannon entropy, Fisher information, Ghosh-Berkowitz-Parr entropy, information gain, Onicescu information energy, and relative Rényi entropy, one is able to simultaneously predict experimental pKa values of these different categories of compounds. Because of the universality of the quantities employed in this work, which are all density dependent, our approach should be general and be applicable to other systems as well. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Space life support engineering program

NASA Technical Reports Server (NTRS)

Seagrave, Richard C.

1992-01-01

A comprehensive study to develop software to simulate the dynamic operation of water reclamation systems in long-term closed-loop life support systems is being carried out as part of an overall program for the design of systems for a moon station or a Mars voyage. This project is being done in parallel with a similar effort in the Department of Chemistry to develop durable accurate low-cost sensors for monitoring of trace chemical and biological species in recycled water supplies. Aspen-Plus software is being used on a group of high-performance work stations to develop the steady state descriptions for a number of existing technologies. Following completion, a dynamic simulation package will be developed for determining the response of such systems to changes in the metabolic needs of the crew and to upsets in system hardware performance.

The Effect of Auditory and Visual Motion Picture Descriptive Modalities in Teaching Perceptual-Motor Skills Used in the Grading of Cereal Grains.

ERIC Educational Resources Information Center

Hannemann, James William

This study was designed to discover whether a student learns to imitate the skills demonstrated in a motion picture more accurately when the supportive descriptive terminology is presented in an auditory (spoken) form or in a visual (captions) form. A six-minute color 16mm film was produced--"Determining the Test Weight per Bushel of Yellow Corn".…

Methods to Detect Nitric Oxide and its Metabolites in Biological Samples

PubMed Central

Bryan, Nathan S.; Grisham, Matthew B.

2007-01-01

Nitric oxide (NO) methodology is a complex and often confusing science and the focus of many debates and discussion concerning NO biochemistry. NO is involved in many physiological processes including regulation of blood pressure, immune response and neural communication. Therefore its accurate detection and quantification is critical to understanding health and disease. Due to the extremely short physiological half life of this gaseous free radical, alternative strategies for the detection of reaction products of NO biochemistry have been developed. The quantification of NO metabolites in biological samples provides valuable information with regards to in vivo NO production, bioavailability and metabolism. Simply sampling a single compartment such as blood or plasma may not always provide an accurate assessment of whole body NO status, particularly in tissues. Therefore, extrapolation of plasma or blood NO status to specific tissues of interest is no longer a valid approach. As a result, methods continue to be developed and validated which allow the detection and quantification of NO and NO-related products/metabolites in multiple compartments of experimental animals in vivo. The methods described in this review is not an exhaustive or comprehensive discussion of all methods available for the detection of NO but rather a description of the most commonly used and practical methods which allow accurate and sensitive quantification of NO products/metabolites in multiple biological matrices under normal physiological conditions. PMID:17664129

Descriptions and identifications of strangers by youth and adult eyewitnesses.

PubMed

Pozzulo, Joanna D; Warren, Kelly L

2003-04-01

Two studies varying target gender and mode of target exposure were conducted to compare the quantity, nature, and accuracy of free recall person descriptions provided by youths and adults. In addition, the relation among age, identification accuracy, and number of descriptors reported was considered. Youths (10-14 years) reported fewer descriptors than adults. Exterior facial descriptors (e.g., hair items) were predominant and accurately reported by youths and adults. Accuracy was consistently problematic for youths when reporting body descriptors (e.g., height, weight) and interior facial features. Youths reported a similar number of descriptors when making accurate versus inaccurate identification decisions. This pattern also was consistent for adults. With target-absent lineups, the difference in the number of descriptors reported between adults and youths was greater when making a false positive versus correct rejection.

Inferring phenomenological models of Markov processes from data

NASA Astrophysics Data System (ADS)

Rivera, Catalina; Nemenman, Ilya

Microscopically accurate modeling of stochastic dynamics of biochemical networks is hard due to the extremely high dimensionality of the state space of such networks. Here we propose an algorithm for inference of phenomenological, coarse-grained models of Markov processes describing the network dynamics directly from data, without the intermediate step of microscopically accurate modeling. The approach relies on the linear nature of the Chemical Master Equation and uses Bayesian Model Selection for identification of parsimonious models that fit the data. When applied to synthetic data from the Kinetic Proofreading process (KPR), a common mechanism used by cells for increasing specificity of molecular assembly, the algorithm successfully uncovers the known coarse-grained description of the process. This phenomenological description has been notice previously, but this time it is derived in an automated manner by the algorithm. James S. McDonnell Foundation Grant No. 220020321.

A knowledge-based potential with an accurate description of local interactions improves discrimination between native and near-native protein conformations.

PubMed

Ferrada, Evandro; Vergara, Ismael A; Melo, Francisco

2007-01-01

The correct discrimination between native and near-native protein conformations is essential for achieving accurate computer-based protein structure prediction. However, this has proven to be a difficult task, since currently available physical energy functions, empirical potentials and statistical scoring functions are still limited in achieving this goal consistently. In this work, we assess and compare the ability of different full atom knowledge-based potentials to discriminate between native protein structures and near-native protein conformations generated by comparative modeling. Using a benchmark of 152 near-native protein models and their corresponding native structures that encompass several different folds, we demonstrate that the incorporation of close non-bonded pairwise atom terms improves the discriminating power of the empirical potentials. Since the direct and unbiased derivation of close non-bonded terms from current experimental data is not possible, we obtained and used those terms from the corresponding pseudo-energy functions of a non-local knowledge-based potential. It is shown that this methodology significantly improves the discrimination between native and near-native protein conformations, suggesting that a proper description of close non-bonded terms is important to achieve a more complete and accurate description of native protein conformations. Some external knowledge-based energy functions that are widely used in model assessment performed poorly, indicating that the benchmark of models and the specific discrimination task tested in this work constitutes a difficult challenge.

A guide to modelling cardiac electrical activity in anatomically detailed ventricles.

PubMed

Clayton, R H; Panfilov, A V

2008-01-01

One of the most recent trends in cardiac electrophysiology is the development of integrative anatomically accurate models of the heart, which include description of cardiac activity from sub-cellular and cellular level to the level of the whole organ. In order to construct this type of model, a researcher needs to collect a wide range of information from books and journal articles on various aspects of biology, physiology, electrophysiology, numerical mathematics and computer programming. The aim of this methodological article is to survey recent developments in integrative modelling of electrical activity in the ventricles of the heart, and to provide a practical guide to the resources and tools that are available for work in this exciting and challenging area.

Procedures utilized for obtaining direct and remote atmospheric carbon monoxide measurements over the lower Lake Michigan Basin in August of 1976

NASA Technical Reports Server (NTRS)

Casas, J. C.; Condon, E.; Campbell, S. A.

1978-01-01

In order to establish the applicability of a gas filter correlation radiometer, GFCR, to remote carbon monoxide, CO, measurements on a regional and worldwide basis, Old Dominion University has been engaged in the development of accurate and cost effective techniques for inversion of GFCR CO data and in the development of an independent gas chromatographic technique for measuring CO. This independent method is used to verify the results and the associated inversion method obtained from the GFCR. A description of both methods (direct and remote) will be presented. Data obtained by both techniques during a flight test over the lower Lake Michigan Basin in August of 1976 will also be discussed.

Measurements of the principal Hugoniots of dense gaseous deuterium-helium mixtures: Combined multi-channel optical pyrometry, velocity interferometry, and streak optical pyrometry measurements

NASA Astrophysics Data System (ADS)

Li, Zhi-Guo; Chen, Qi-Feng; Gu, Yun-Jun; Zheng, Jun; Chen, Xiang-Rong

2016-10-01

The accurate hydrodynamic description of an event or system that addresses the equations of state, phase transitions, dissociations, ionizations, and compressions, determines how materials respond to a wide range of physical environments. To understand dense matter behavior in extreme conditions requires the continual development of diagnostic methods for accurate measurements of the physical parameters. Here, we present a comprehensive diagnostic technique that comprises optical pyrometry, velocity interferometry, and time-resolved spectroscopy. This technique was applied to shock compression experiments of dense gaseous deuterium-helium mixtures driven via a two-stage light gas gun. The advantage of this approach lies in providing measurements of multiple physical parameters in a single experiment, such as light radiation histories, particle velocity profiles, and time-resolved spectra, which enables simultaneous measurements of shock velocity, particle velocity, pressure, density, and temperature and expands understanding of dense high pressure shock situations. The combination of multiple diagnostics also allows different experimental observables to be measured and cross-checked. Additionally, it implements an accurate measurement of the principal Hugoniots of deuterium-helium mixtures, which provides a benchmark for the impedance matching measurement technique.

Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional

DOE PAGES

Liu, Zhen-Fei; Egger, David A.; Refaely-Abramson, Sivan; ...

2017-02-21

The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density functional theory calculations, especially those using local and semi-local functionals, often underestimate level alignment leading to inaccurate electronic structure and charge transport properties. Here, we develop a new fully self-consistent predictive scheme to accurately compute level alignment at certain classes of complex heterogeneous molecule-metal interfaces based on optimally tuned range-separated hybrid functionals. Starting from a highly accurate description of the gas-phase electronic structure, our method by constructionmore » captures important nonlocal surface polarization effects via tuning of the long-range screened exchange in a range-separated hybrid in a non-empirical and system-specific manner. We implement this functional in a plane-wave code and apply it to several physisorbed and chemisorbed molecule-metal interface systems. Our results are in quantitative agreement with experiments, the both the level alignment and work function changes. This approach constitutes a new practical scheme for accurate and efficient calculations of the electronic structure of molecule-metal interfaces.« less

Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional

NASA Astrophysics Data System (ADS)

Liu, Zhen-Fei; Egger, David A.; Refaely-Abramson, Sivan; Kronik, Leeor; Neaton, Jeffrey B.

2017-03-01

The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density functional theory calculations, especially those using local and semi-local functionals, often underestimate level alignment leading to inaccurate electronic structure and charge transport properties. In this work, we develop a new fully self-consistent predictive scheme to accurately compute level alignment at certain classes of complex heterogeneous molecule-metal interfaces based on optimally tuned range-separated hybrid functionals. Starting from a highly accurate description of the gas-phase electronic structure, our method by construction captures important nonlocal surface polarization effects via tuning of the long-range screened exchange in a range-separated hybrid in a non-empirical and system-specific manner. We implement this functional in a plane-wave code and apply it to several physisorbed and chemisorbed molecule-metal interface systems. Our results are in quantitative agreement with experiments, the both the level alignment and work function changes. Our approach constitutes a new practical scheme for accurate and efficient calculations of the electronic structure of molecule-metal interfaces.

An analytical treatment for three neutrino oscillations in the Earth

NASA Astrophysics Data System (ADS)

Aguilar-Arevalo, A. A.; D'Olivo, J. C.; Supanitsky, A. D.

2012-08-01

A simple, and at the same time accurate, description of the Earth matter effects on the oscillations between three neutrino flavors is given in terms of the Magnus expansion for the evolution operator.

Taxonomy of Macromotettixoides with the description of a new species (Tetrigidae, Metrodorinae)

PubMed Central

Zha, Ling-Sheng; Yu, Feng-Ming; Boonmee, Saranyaphat; Eungwanichayapant, Prapassorn D.; Wen, Ting-Chi

2017-01-01

Abstract Descriptions of the flying organs and generic characteristics of the genus Macromotettixoides Zheng, Wei & Jiang are currently imprecise. Macromotettixoides is reviewed and compared with allied genera. A re-description is undertaken and a determination key is provided to Macromotettixoides. Macromotettixoides parvula Zha & Wen, sp. n. from the Guizhou Karst Region, China, is described and illustrated with photographs. Observations on the ecology and habits of the new species are recorded. Four current species of Hyboella Hancock are transferred to Macromotettixoides. Variations of the flying organs and tegminal sinus in the Tetrigidae are discussed, which will help to describe them accurately. PMID:28228664

A Collective Study on Modeling and Simulation of Resistive Random Access Memory

NASA Astrophysics Data System (ADS)

Panda, Debashis; Sahu, Paritosh Piyush; Tseng, Tseung Yuen

2018-01-01

In this work, we provide a comprehensive discussion on the various models proposed for the design and description of resistive random access memory (RRAM), being a nascent technology is heavily reliant on accurate models to develop efficient working designs and standardize its implementation across devices. This review provides detailed information regarding the various physical methodologies considered for developing models for RRAM devices. It covers all the important models reported till now and elucidates their features and limitations. Various additional effects and anomalies arising from memristive system have been addressed, and the solutions provided by the models to these problems have been shown as well. All the fundamental concepts of RRAM model development such as device operation, switching dynamics, and current-voltage relationships are covered in detail in this work. Popular models proposed by Chua, HP Labs, Yakopcic, TEAM, Stanford/ASU, Ielmini, Berco-Tseng, and many others have been compared and analyzed extensively on various parameters. The working and implementations of the window functions like Joglekar, Biolek, Prodromakis, etc. has been presented and compared as well. New well-defined modeling concepts have been discussed which increase the applicability and accuracy of the models. The use of these concepts brings forth several improvements in the existing models, which have been enumerated in this work. Following the template presented, highly accurate models would be developed which will vastly help future model developers and the modeling community.

Methods for characterizing convective cryoprobe heat transfer in ultrasound gel phantoms.

PubMed

Etheridge, Michael L; Choi, Jeunghwan; Ramadhyani, Satish; Bischof, John C

2013-02-01

While cryosurgery has proven capable in treating of a variety of conditions, it has met with some resistance among physicians, in part due to shortcomings in the ability to predict treatment outcomes. Here we attempt to address several key issues related to predictive modeling by demonstrating methods for accurately characterizing heat transfer from cryoprobes, report temperature dependent thermal properties for ultrasound gel (a convenient tissue phantom) down to cryogenic temperatures, and demonstrate the ability of convective exchange heat transfer boundary conditions to accurately describe freezing in the case of single and multiple interacting cryoprobe(s). Temperature dependent changes in the specific heat and thermal conductivity for ultrasound gel are reported down to -150 °C for the first time here and these data were used to accurately describe freezing in ultrasound gel in subsequent modeling. Freezing around a single and two interacting cryoprobe(s) was characterized in the ultrasound gel phantom by mapping the temperature in and around the "iceball" with carefully placed thermocouple arrays. These experimental data were fit with finite-element modeling in COMSOL Multiphysics, which was used to investigate the sensitivity and effectiveness of convective boundary conditions in describing heat transfer from the cryoprobes. Heat transfer at the probe tip was described in terms of a convective coefficient and the cryogen temperature. While model accuracy depended strongly on spatial (i.e., along the exchange surface) variation in the convective coefficient, it was much less sensitive to spatial and transient variations in the cryogen temperature parameter. The optimized fit, convective exchange conditions for the single-probe case also provided close agreement with the experimental data for the case of two interacting cryoprobes, suggesting that this basic characterization and modeling approach can be extended to accurately describe more complicated, multiprobe freezing geometries. Accurately characterizing cryoprobe behavior in phantoms requires detailed knowledge of the freezing medium's properties throughout the range of expected temperatures and an appropriate description of the heat transfer across the probe's exchange surfaces. Here we demonstrate that convective exchange boundary conditions provide an accurate and versatile description of heat transfer from cryoprobes, offering potential advantages over the traditional constant surface heat flux and constant surface temperature descriptions. In addition, although this study was conducted on Joule-Thomson type cryoprobes, the general methodologies should extend to any probe that is based on convective exchange with a cryogenic fluid.

A multi-subject evaluation of uncertainty in anatomical landmark location on shoulder kinematic description.

PubMed

Langenderfer, Joseph E; Rullkoetter, Paul J; Mell, Amy G; Laz, Peter J

2009-04-01

An accurate assessment of shoulder kinematics is useful for understanding healthy normal and pathological mechanics. Small variability in identifying and locating anatomical landmarks (ALs) has potential to affect reported shoulder kinematics. The objectives of this study were to quantify the effect of landmark location variability on scapular and humeral kinematic descriptions for multiple subjects using probabilistic analysis methods, and to evaluate the consistency in results across multiple subjects. Data from 11 healthy subjects performing humeral elevation in the scapular plane were used to calculate Euler angles describing humeral and scapular kinematics. Probabilistic analyses were performed for each subject to simulate uncertainty in the locations of 13 upper-extremity ALs. For standard deviations of 4 mm in landmark location, the analysis predicted Euler angle envelopes between the 1 and 99 percentile bounds of up to 16.6 degrees . While absolute kinematics varied with the subject, the average 1-99% kinematic ranges for the motion were consistent across subjects and sensitivity factors showed no statistically significant differences between subjects. The description of humeral kinematics was most sensitive to the location of landmarks on the thorax, while landmarks on the scapula had the greatest effect on the description of scapular elevation. The findings of this study can provide a better understanding of kinematic variability, which can aid in making accurate clinical diagnoses and refining kinematic measurement techniques.

TOPICA: an accurate and efficient numerical tool for analysis and design of ICRF antennas

NASA Astrophysics Data System (ADS)

Lancellotti, V.; Milanesio, D.; Maggiora, R.; Vecchi, G.; Kyrytsya, V.

2006-07-01

The demand for a predictive tool to help in designing ion-cyclotron radio frequency (ICRF) antenna systems for today's fusion experiments has driven the development of codes such as ICANT, RANT3D, and the early development of TOPICA (TOrino Polytechnic Ion Cyclotron Antenna) code. This paper describes the substantive evolution of TOPICA formulation and implementation that presently allow it to handle the actual geometry of ICRF antennas (with curved, solid straps, a general-shape housing, Faraday screen, etc) as well as an accurate plasma description, accounting for density and temperature profiles and finite Larmor radius effects. The antenna is assumed to be housed in a recess-like enclosure. Both goals have been attained by formally separating the problem into two parts: the vacuum region around the antenna and the plasma region inside the toroidal chamber. Field continuity and boundary conditions allow formulating of a set of two coupled integral equations for the unknown equivalent (current) sources; then the equations are reduced to a linear system by a method of moments solution scheme employing 2D finite elements defined over a 3D non-planar surface triangular-cell mesh. In the vacuum region calculations are done in the spatial (configuration) domain, whereas in the plasma region a spectral (wavenumber) representation of fields and currents is adopted, thus permitting a description of the plasma by a surface impedance matrix. Owing to this approach, any plasma model can be used in principle, and at present the FELICE code has been employed. The natural outcomes of TOPICA are the induced currents on the conductors (antenna, housing, etc) and the electric field in front of the plasma, whence the antenna circuit parameters (impedance/scattering matrices), the radiated power and the fields (at locations other than the chamber aperture) are then obtained. An accurate model of the feeding coaxial lines is also included. The theoretical model and its TOPICA implementation have been fully validated against measured data both in vacuo and in plasma-facing conditions for real-life structures.

Methods for Efficiently and Accurately Computing Quantum Mechanical Free Energies for Enzyme Catalysis.

PubMed

Kearns, F L; Hudson, P S; Boresch, S; Woodcock, H L

2016-01-01

Enzyme activity is inherently linked to free energies of transition states, ligand binding, protonation/deprotonation, etc.; these free energies, and thus enzyme function, can be affected by residue mutations, allosterically induced conformational changes, and much more. Therefore, being able to predict free energies associated with enzymatic processes is critical to understanding and predicting their function. Free energy simulation (FES) has historically been a computational challenge as it requires both the accurate description of inter- and intramolecular interactions and adequate sampling of all relevant conformational degrees of freedom. The hybrid quantum mechanical molecular mechanical (QM/MM) framework is the current tool of choice when accurate computations of macromolecular systems are essential. Unfortunately, robust and efficient approaches that employ the high levels of computational theory needed to accurately describe many reactive processes (ie, ab initio, DFT), while also including explicit solvation effects and accounting for extensive conformational sampling are essentially nonexistent. In this chapter, we will give a brief overview of two recently developed methods that mitigate several major challenges associated with QM/MM FES: the QM non-Boltzmann Bennett's acceptance ratio method and the QM nonequilibrium work method. We will also describe usage of these methods to calculate free energies associated with (1) relative properties and (2) along reaction paths, using simple test cases with relevance to enzymes examples. © 2016 Elsevier Inc. All rights reserved.

Characterization of aqueous two phase systems by combining lab-on-a-chip technology with robotic liquid handling stations.

PubMed

Amrhein, Sven; Schwab, Marie-Luise; Hoffmann, Marc; Hubbuch, Jürgen

2014-11-07

Over the last decade, the use of design of experiment approaches in combination with fully automated high throughput (HTP) compatible screenings supported by robotic liquid handling stations (LHS), adequate fast analytics and data processing has been developed in the biopharmaceutical industry into a strategy of high throughput process development (HTPD) resulting in lower experimental effort, sample reduction and an overall higher degree of process optimization. Apart from HTP technologies, lab-on-a-chip technology has experienced an enormous growth in the last years and allows further reduction of sample consumption. A combination of LHS and lab-on-a-chip technology is highly desirable and realized in the present work to characterize aqueous two phase systems with respect to tie lines. In particular, a new high throughput compatible approach for the characterization of aqueous two phase systems regarding tie lines by exploiting differences in phase densities is presented. Densities were measured by a standalone micro fluidic liquid density sensor, which was integrated into a liquid handling station by means of a developed generic Tip2World interface. This combination of liquid handling stations and lab-on-a-chip technology enables fast, fully automated, and highly accurate density measurements. The presented approach was used to determine the phase diagram of ATPSs composed of potassium phosphate (pH 7) and polyethylene glycol (PEG) with a molecular weight of 300, 400, 600 and 1000 Da respectively in the presence and in the absence of 3% (w/w) sodium chloride. Considering the whole ATPS characterization process, two complete ATPSs could be characterized within 24h, including four runs per ATPS for binodal curve determination (less than 45 min/run), and tie line determination (less than 45 min/run for ATPS preparation and 8h for density determination), which can be performed fully automated over night without requiring man power. The presented methodology provides a cost, time and material effective approach for characterization of ATPS phase diagram on base on highly accurate and comprehensive data. By this means the derived data opens the door for a more detailed description of ATPS towards generating mechanistic based models, since molecular approaches such as MD simulations or molecular descriptions along the line of QSAR heavily rely on accurate and comprehensive data. Copyright © 2014 Elsevier B.V. All rights reserved.

Anatomical and spiral wave reentry in a simplified model for atrial electrophysiology.

PubMed

Richter, Yvonne; Lind, Pedro G; Seemann, Gunnar; Maass, Philipp

2017-04-21

For modeling the propagation of action potentials in the human atria, various models have been developed in the past, which take into account in detail the influence of the numerous ionic currents flowing through the cell membrane. Aiming at a simplified description, the Bueno-Orovio-Cherry-Fenton (BOCF) model for electric wave propagation in the ventricle has been adapted recently to atrial physiology. Here, we study this adapted BOCF (aBOCF) model with respect to its capability to accurately generate spatio-temporal excitation patterns found in anatomical and spiral wave reentry. To this end, we compare results of the aBOCF model with the more detailed one proposed by Courtemanche, Ramirez and Nattel (CRN model). We find that characteristic features of the reentrant excitation patterns seen in the CRN model are well captured by the aBOCF model. This opens the possibility to study origins of atrial fibrillation based on a simplified but still reliable description. Copyright © 2017 Elsevier Ltd. All rights reserved.

Solving The Longstanding Problem Of Low-Energy Nuclear Reactions At the Highest Microscopic Level - Final Report

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

Quaglioni, S.

2016-09-22

A 2011 DOE-NP Early Career Award (ECA) under Field Work Proposal (FWP) SCW1158 supported the project “Solving the Long-Standing Problem of Low-Energy Nuclear Reactions at the Highest Microscopic Level” in the five-year period from June 15, 2011 to June 14, 2016. This project, led by PI S. Quaglioni, aimed at developing a comprehensive and computationally efficient framework to arrive at a unified description of structural properties and reactions of light nuclei in terms of constituent protons and neutrons interacting through nucleon-nucleon (NN) and three-nucleon (3N) forces. Specifically, the project had three main goals: 1) arriving at the accurate predictions formore » fusion reactions that power stars and Earth-based fusion facilities; 2) realizing a comprehensive description of clustering and continuum effects in exotic nuclei, including light Borromean systems; and 3) achieving fundamental understanding of the role of the 3N force in nuclear reactions and nuclei at the drip line.« less

Escherichia coli K-12: a cooperatively developed annotation snapshot—2005

PubMed Central

Riley, Monica; Abe, Takashi; Arnaud, Martha B.; Berlyn, Mary K.B.; Blattner, Frederick R.; Chaudhuri, Roy R.; Glasner, Jeremy D.; Horiuchi, Takashi; Keseler, Ingrid M.; Kosuge, Takehide; Mori, Hirotada; Perna, Nicole T.; Plunkett, Guy; Rudd, Kenneth E.; Serres, Margrethe H.; Thomas, Gavin H.; Thomson, Nicholas R.; Wishart, David; Wanner, Barry L.

2006-01-01

The goal of this group project has been to coordinate and bring up-to-date information on all genes of Escherichia coli K-12. Annotation of the genome of an organism entails identification of genes, the boundaries of genes in terms of precise start and end sites, and description of the gene products. Known and predicted functions were assigned to each gene product on the basis of experimental evidence or sequence analysis. Since both kinds of evidence are constantly expanding, no annotation is complete at any moment in time. This is a snapshot analysis based on the most recent genome sequences of two E.coli K-12 bacteria. An accurate and up-to-date description of E.coli K-12 genes is of particular importance to the scientific community because experimentally determined properties of its gene products provide fundamental information for annotation of innumerable genes of other organisms. Availability of the complete genome sequence of two K-12 strains allows comparison of their genotypes and mutant status of alleles. PMID:16397293

A multivariate time series approach to modeling and forecasting demand in the emergency department.

PubMed

Jones, Spencer S; Evans, R Scott; Allen, Todd L; Thomas, Alun; Haug, Peter J; Welch, Shari J; Snow, Gregory L

2009-02-01

The goals of this investigation were to study the temporal relationships between the demands for key resources in the emergency department (ED) and the inpatient hospital, and to develop multivariate forecasting models. Hourly data were collected from three diverse hospitals for the year 2006. Descriptive analysis and model fitting were carried out using graphical and multivariate time series methods. Multivariate models were compared to a univariate benchmark model in terms of their ability to provide out-of-sample forecasts of ED census and the demands for diagnostic resources. Descriptive analyses revealed little temporal interaction between the demand for inpatient resources and the demand for ED resources at the facilities considered. Multivariate models provided more accurate forecasts of ED census and of the demands for diagnostic resources. Our results suggest that multivariate time series models can be used to reliably forecast ED patient census; however, forecasts of the demands for diagnostic resources were not sufficiently reliable to be useful in the clinical setting.

Accurate Estimate of Some Propagation Characteristics for the First Higher Order Mode in Graded Index Fiber with Simple Analytic Chebyshev Method

NASA Astrophysics Data System (ADS)

Dutta, Ivy; Chowdhury, Anirban Roy; Kumbhakar, Dharmadas

2013-03-01

Using Chebyshev power series approach, accurate description for the first higher order (LP11) mode of graded index fibers having three different profile shape functions are presented in this paper and applied to predict their propagation characteristics. These characteristics include fractional power guided through the core, excitation efficiency and Petermann I and II spot sizes with their approximate analytic formulations. We have shown that where two and three Chebyshev points in LP11 mode approximation present fairly accurate results, the values based on our calculations involving four Chebyshev points match excellently with available exact numerical results.

New developments in the McStas neutron instrument simulation package

NASA Astrophysics Data System (ADS)

Willendrup, P. K.; Knudsen, E. B.; Klinkby, E.; Nielsen, T.; Farhi, E.; Filges, U.; Lefmann, K.

2014-07-01

The McStas neutron ray-tracing software package is a versatile tool for building accurate simulators of neutron scattering instruments at reactors, short- and long-pulsed spallation sources such as the European Spallation Source. McStas is extensively used for design and optimization of instruments, virtual experiments, data analysis and user training. McStas was founded as a scientific, open-source collaborative code in 1997. This contribution presents the project at its current state and gives an overview of the main new developments in McStas 2.0 (December 2012) and McStas 2.1 (expected fall 2013), including many new components, component parameter uniformisation, partial loss of backward compatibility, updated source brilliance descriptions, developments toward new tools and user interfaces, web interfaces and a new method for estimating beam losses and background from neutron optics.

Coupling geostatistics to detailed reservoir description allows better visualization and more accurate characterization/simulation of turbidite reservoirs: Elk Hills oil field, California

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

Allan, M.E.; Wilson, M.L.; Wightman, J.

1996-12-31

The Elk Hills giant oilfield, located in the southern San Joaquin Valley of California, has produced 1.1 billion barrels of oil from Miocene and shallow Pliocene reservoirs. 65% of the current 64,000 BOPD production is from the pressure-supported, deeper Miocene turbidite sands. In the turbidite sands of the 31 S structure, large porosity & permeability variations in the Main Body B and Western 31 S sands cause problems with the efficiency of the waterflooding. These variations have now been quantified and visualized using geostatistics. The end result is a more detailed reservoir characterization for simulation. Traditional reservoir descriptions based onmore » marker correlations, cross-sections and mapping do not provide enough detail to capture the short-scale stratigraphic heterogeneity needed for adequate reservoir simulation. These deterministic descriptions are inadequate to tie with production data as the thinly bedded sand/shale sequences blur into a falsely homogenous picture. By studying the variability of the geologic & petrophysical data vertically within each wellbore and spatially from well to well, a geostatistical reservoir description has been developed. It captures the natural variability of the sands and shales that was lacking from earlier work. These geostatistical studies allow the geologic and petrophysical characteristics to be considered in a probabilistic model. The end-product is a reservoir description that captures the variability of the reservoir sequences and can be used as a more realistic starting point for history matching and reservoir simulation.« less

Coupling geostatistics to detailed reservoir description allows better visualization and more accurate characterization/simulation of turbidite reservoirs: Elk Hills oil field, California

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

Allan, M.E.; Wilson, M.L.; Wightman, J.

1996-01-01

The Elk Hills giant oilfield, located in the southern San Joaquin Valley of California, has produced 1.1 billion barrels of oil from Miocene and shallow Pliocene reservoirs. 65% of the current 64,000 BOPD production is from the pressure-supported, deeper Miocene turbidite sands. In the turbidite sands of the 31 S structure, large porosity permeability variations in the Main Body B and Western 31 S sands cause problems with the efficiency of the waterflooding. These variations have now been quantified and visualized using geostatistics. The end result is a more detailed reservoir characterization for simulation. Traditional reservoir descriptions based on markermore » correlations, cross-sections and mapping do not provide enough detail to capture the short-scale stratigraphic heterogeneity needed for adequate reservoir simulation. These deterministic descriptions are inadequate to tie with production data as the thinly bedded sand/shale sequences blur into a falsely homogenous picture. By studying the variability of the geologic petrophysical data vertically within each wellbore and spatially from well to well, a geostatistical reservoir description has been developed. It captures the natural variability of the sands and shales that was lacking from earlier work. These geostatistical studies allow the geologic and petrophysical characteristics to be considered in a probabilistic model. The end-product is a reservoir description that captures the variability of the reservoir sequences and can be used as a more realistic starting point for history matching and reservoir simulation.« less

40 CFR 146.66 - Logging, sampling, and testing prior to new well operation.

Code of Federal Regulations, 2010 CFR

2010-07-01

... establish accurate baseline data against which future measurements may be compared. A descriptive report... radioactive tracer survey; (iii) A temperature or noise log; (iv) A casing inspection log, if required by the...

40 CFR 146.66 - Logging, sampling, and testing prior to new well operation.

Code of Federal Regulations, 2013 CFR

2013-07-01

... establish accurate baseline data against which future measurements may be compared. A descriptive report... radioactive tracer survey; (iii) A temperature or noise log; (iv) A casing inspection log, if required by the...

40 CFR 146.66 - Logging, sampling, and testing prior to new well operation.

Code of Federal Regulations, 2012 CFR

2012-07-01

... establish accurate baseline data against which future measurements may be compared. A descriptive report... radioactive tracer survey; (iii) A temperature or noise log; (iv) A casing inspection log, if required by the...

40 CFR 146.66 - Logging, sampling, and testing prior to new well operation.

Code of Federal Regulations, 2014 CFR

2014-07-01

... establish accurate baseline data against which future measurements may be compared. A descriptive report... radioactive tracer survey; (iii) A temperature or noise log; (iv) A casing inspection log, if required by the...

40 CFR 146.66 - Logging, sampling, and testing prior to new well operation.

Code of Federal Regulations, 2011 CFR

2011-07-01

... establish accurate baseline data against which future measurements may be compared. A descriptive report... radioactive tracer survey; (iii) A temperature or noise log; (iv) A casing inspection log, if required by the...

Multialternative drift-diffusion model predicts the relationship between visual fixations and choice in value-based decisions.

PubMed

Krajbich, Ian; Rangel, Antonio

2011-08-16

How do we make decisions when confronted with several alternatives (e.g., on a supermarket shelf)? Previous work has shown that accumulator models, such as the drift-diffusion model, can provide accurate descriptions of the psychometric data for binary value-based choices, and that the choice process is guided by visual attention. However, the computational processes used to make choices in more complicated situations involving three or more options are unknown. We propose a model of trinary value-based choice that generalizes what is known about binary choice, and test it using an eye-tracking experiment. We find that the model provides a quantitatively accurate description of the relationship between choice, reaction time, and visual fixation data using the same parameters that were estimated in previous work on binary choice. Our findings suggest that the brain uses similar computational processes to make binary and trinary choices.

Accurate estimation of object location in an image sequence using helicopter flight data

NASA Technical Reports Server (NTRS)

Tang, Yuan-Liang; Kasturi, Rangachar

1994-01-01

In autonomous navigation, it is essential to obtain a three-dimensional (3D) description of the static environment in which the vehicle is traveling. For a rotorcraft conducting low-latitude flight, this description is particularly useful for obstacle detection and avoidance. In this paper, we address the problem of 3D position estimation for static objects from a monocular sequence of images captured from a low-latitude flying helicopter. Since the environment is static, it is well known that the optical flow in the image will produce a radiating pattern from the focus of expansion. We propose a motion analysis system which utilizes the epipolar constraint to accurately estimate 3D positions of scene objects in a real world image sequence taken from a low-altitude flying helicopter. Results show that this approach gives good estimates of object positions near the rotorcraft's intended flight-path.

Evolutionary characters, phenotypes and ontologies: curating data from the systematic biology literature.

PubMed

Dahdul, Wasila M; Balhoff, James P; Engeman, Jeffrey; Grande, Terry; Hilton, Eric J; Kothari, Cartik; Lapp, Hilmar; Lundberg, John G; Midford, Peter E; Vision, Todd J; Westerfield, Monte; Mabee, Paula M

2010-05-20

The wealth of phenotypic descriptions documented in the published articles, monographs, and dissertations of phylogenetic systematics is traditionally reported in a free-text format, and it is therefore largely inaccessible for linkage to biological databases for genetics, development, and phenotypes, and difficult to manage for large-scale integrative work. The Phenoscape project aims to represent these complex and detailed descriptions with rich and formal semantics that are amenable to computation and integration with phenotype data from other fields of biology. This entails reconceptualizing the traditional free-text characters into the computable Entity-Quality (EQ) formalism using ontologies. We used ontologies and the EQ formalism to curate a collection of 47 phylogenetic studies on ostariophysan fishes (including catfishes, characins, minnows, knifefishes) and their relatives with the goal of integrating these complex phenotype descriptions with information from an existing model organism database (zebrafish, http://zfin.org). We developed a curation workflow for the collection of character, taxonomic and specimen data from these publications. A total of 4,617 phenotypic characters (10,512 states) for 3,449 taxa, primarily species, were curated into EQ formalism (for a total of 12,861 EQ statements) using anatomical and taxonomic terms from teleost-specific ontologies (Teleost Anatomy Ontology and Teleost Taxonomy Ontology) in combination with terms from a quality ontology (Phenotype and Trait Ontology). Standards and guidelines for consistently and accurately representing phenotypes were developed in response to the challenges that were evident from two annotation experiments and from feedback from curators. The challenges we encountered and many of the curation standards and methods for improving consistency that we developed are generally applicable to any effort to represent phenotypes using ontologies. This is because an ontological representation of the detailed variations in phenotype, whether between mutant or wildtype, among individual humans, or across the diversity of species, requires a process by which a precise combination of terms from domain ontologies are selected and organized according to logical relations. The efficiencies that we have developed in this process will be useful for any attempt to annotate complex phenotypic descriptions using ontologies. We also discuss some ramifications of EQ representation for the domain of systematics.

Accurate Energies and Orbital Description in Semi-Local Kohn-Sham DFT

NASA Astrophysics Data System (ADS)

Lindmaa, Alexander; Kuemmel, Stephan; Armiento, Rickard

2015-03-01

We present our progress on a scheme in semi-local Kohn-Sham density-functional theory (KS-DFT) for improving the orbital description while still retaining the level of accuracy of the usual semi-local exchange-correlation (xc) functionals. DFT is a widely used tool for first-principles calculations of properties of materials. A given task normally requires a balance of accuracy and computational cost, which is well achieved with semi-local DFT. However, commonly used semi-local xc functionals have important shortcomings which often can be attributed to features of the corresponding xc potential. One shortcoming is an overly delocalized representation of localized orbitals. Recently a semi-local GGA-type xc functional was constructed to address these issues, however, it has the trade-off of lower accuracy of the total energy. We discuss the source of this error in terms of a surplus energy contribution in the functional that needs to be accounted for, and offer a remedy for this issue which formally stays within KS-DFT, and, which does not harshly increase the computational effort. The end result is a scheme that combines accurate total energies (e.g., relaxed geometries) with an improved orbital description (e.g., improved band structure).

Accurate Identification of MCI Patients via Enriched White-Matter Connectivity Network

NASA Astrophysics Data System (ADS)

Wee, Chong-Yaw; Yap, Pew-Thian; Brownyke, Jeffery N.; Potter, Guy G.; Steffens, David C.; Welsh-Bohmer, Kathleen; Wang, Lihong; Shen, Dinggang

Mild cognitive impairment (MCI), often a prodromal phase of Alzheimer's disease (AD), is frequently considered to be a good target for early diagnosis and therapeutic interventions of AD. Recent emergence of reliable network characterization techniques have made understanding neurological disorders at a whole brain connectivity level possible. Accordingly, we propose a network-based multivariate classification algorithm, using a collection of measures derived from white-matter (WM) connectivity networks, to accurately identify MCI patients from normal controls. An enriched description of WM connections, utilizing six physiological parameters, i.e., fiber penetration count, fractional anisotropy (FA), mean diffusivity (MD), and principal diffusivities (λ 1, λ 2, λ 3), results in six connectivity networks for each subject to account for the connection topology and the biophysical properties of the connections. Upon parcellating the brain into 90 regions-of-interest (ROIs), the average statistics of each ROI in relation to the remaining ROIs are extracted as features for classification. These features are then sieved to select the most discriminant subset of features for building an MCI classifier via support vector machines (SVMs). Cross-validation results indicate better diagnostic power of the proposed enriched WM connection description than simple description with any single physiological parameter.

The development of CERDAS learning strategy guide for science education students of distance education

NASA Astrophysics Data System (ADS)

Rahayu, U.; Darmayanti, T.; Widodo, A.; Redjeki, S.

2017-02-01

Self-regulated learning (SRL) is a part of students’ skills in which they manage, regulate, and monitor their learning process so they can reach their study goal. Students of distance education should comprise this skill. The aim of this research is to describe the development of distance students learning guide, namely “CEDAS strategy” designed for science students. The students’ guidance consists of seven principles, they are; selecting and applying learning strategy appropriately, managing time effectively, planning of learning realistically and accurately, achieving study goal, and doing self-evaluation continuously. The research method was qualitative descriptive. The research involved the students of Universitas Terbuka’ Biology education who participated in Animal Embryology course. The data were collected using a questionnaire and interview. Furthermore, it was analyzed by descriptive analyses. Research finding showed that during try out, most of the students stated that the learning guide was easy to understand, concise, interesting and encouraging for students to continue reading and learning. In the implementation stage, most students commented that the guide is easy to understand, long enough, and helpful so it can be used as a reference to study independently and to apply it in the daily basis.

Analysis of polarization in hydrogen bonded complexes: An asymptotic projection approach

NASA Astrophysics Data System (ADS)

Drici, Nedjoua

2018-03-01

The asymptotic projection technique is used to investigate the polarization effect that arises from the interaction between the relaxed, and frozen monomeric charge densities of a set of neutral and charged hydrogen bonded complexes. The AP technique based on the resolution of the original Kohn-Sham equations can give an acceptable qualitative description of the polarization effect in neutral complexes. The significant overlap of the electron densities, in charged and π-conjugated complexes, impose further development of a new functional, describing the coupling between constrained and non-constrained electron densities within the AP technique to provide an accurate representation of the polarization effect.

Interaction of monovalent ions with the water liquid-vapor interface - A molecular dynamics study

NASA Technical Reports Server (NTRS)

Wilson, Michael A.; Pohorille, Andrew

1991-01-01

Results of molecular dynamics calculations are presented for a series of ions at infinite dilution near the water liquid-vapor interface. The free energies of ion transfer from the bulk to the interface are discussed, as are the accompanying changes of water structure at the surface and ion mobilities as a function of their proximity to the interface. It is shown that simple dielectric models do not provide an accurate description of ions at the water surface. The results of the study should be useful in the development of better models incorporating the shape and molecular structure of the interface.

Recent Developments of an Opto-Electronic THz Spectrometer for High-Resolution Spectroscopy

PubMed Central

Hindle, Francis; Yang, Chun; Mouret, Gael; Cuisset, Arnaud; Bocquet, Robin; Lampin, Jean-François; Blary, Karine; Peytavit, Emilien; Akalin, Tahsin; Ducournau, Guillaume

2009-01-01

A review is provided of sources and detectors that can be employed in the THz range before the description of an opto-electronic source of monochromatic THz radiation. The realized spectrometer has been applied to gas phase spectroscopy. Air-broadening coefficients of HCN are determined and the insensitivity of this technique to aerosols is demonstrated by the analysis of cigarette smoke. A multiple pass sample cell has been used to obtain a sensitivity improvement allowing transitions of the volatile organic compounds to be observed. A solution to the frequency metrology is presented and promises to yield accurate molecular line center measurements. PMID:22291552

EXPERIMENTAL STUDIES OF IBS (INTRA-BEAM SCATTERING) IN RHIC AND COMPARISON WITH THEORY.

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

FEDOTOV, A.V.; FISCHER, W.; TEPIKIAN, S.

A high-energy electron cooling system is presently being developed to overcome emittance growth due to Intra-beam Scattering (IBS) in RHIC. A critical item for choosing appropriate parameters of the cooler is an accurate description of the IBS. The analytic models were verified vs dedicated IBS measurements. Analysis of the 2004 data with the Au ions showed very good agreement for the longitudinal growth rates but significant disagreement with exact IBS models for the transverse growth rates. Experimental measurements were improved for the 2005 run with the Cu ions. Here, we present comparison of the 2005 data with theoretical models.

The cerebrum. Anatomy.

PubMed

Rhoton, Albert L

2007-07-01

The cerebrum is the crown jewel of creation and evolution. It is a remarkably delicate, intricate, and beautiful structure. The goal of this chapter is to provide the information needed to permit the neurosurgeon to navigate accurately, gently, and safely around and through the cerebrum and intracranial space. The location of deep structures is frequently described in relation to cranial and superficial cerebral landmarks in order to develop the concept of see-through, x-ray type knowledge of the cerebrum. In numerous illustrations, stepwise dissections are used to clarify the relationship between structures in different layers. Important clinical and surgical concepts are intermixed with the description of the cerebrum and its arteries, veins, and ventricles.

Spatial adaption procedures on unstructured meshes for accurate unsteady aerodynamic flow computation

NASA Technical Reports Server (NTRS)

Rausch, Russ D.; Batina, John T.; Yang, Henry T. Y.

1991-01-01

Spatial adaption procedures for the accurate and efficient solution of steady and unsteady inviscid flow problems are described. The adaption procedures were developed and implemented within a two-dimensional unstructured-grid upwind-type Euler code. These procedures involve mesh enrichment and mesh coarsening to either add points in a high gradient region or the flow or remove points where they are not needed, respectively, to produce solutions of high spatial accuracy at minimal computational costs. A detailed description is given of the enrichment and coarsening procedures and comparisons with alternative results and experimental data are presented to provide an assessment of the accuracy and efficiency of the capability. Steady and unsteady transonic results, obtained using spatial adaption for the NACA 0012 airfoil, are shown to be of high spatial accuracy, primarily in that the shock waves are very sharply captured. The results were obtained with a computational savings of a factor of approximately fifty-three for a steady case and as much as twenty-five for the unsteady cases.

Relativistic effects in ab initio electron-nucleus scattering

NASA Astrophysics Data System (ADS)

Rocco, Noemi; Leidemann, Winfried; Lovato, Alessandro; Orlandini, Giuseppina

2018-05-01

The electromagnetic responses obtained from Green's function Monte Carlo (GFMC) calculations are based on realistic treatments of nuclear interactions and currents. The main limitations of this method comes from its nonrelativistic nature and its computational cost, the latter hampering the direct evaluation of the inclusive cross sections as measured by experiments. We extend the applicability of GFMC in the quasielastic region to intermediate momentum transfers by performing the calculations in a reference frame that minimizes nucleon momenta. Additional relativistic effects in the kinematics are accounted for employing the two-fragment model. In addition, we developed a novel algorithm, based on the concept of first-kind scaling, to compute the inclusive electromagnetic cross section of 4He through an accurate and reliable interpolation of the response functions. A very good agreement is obtained between theoretical and experimental cross sections for a variety of kinematical setups. This offers a promising prospect for the data analysis of neutrino-oscillation experiments that requires an accurate description of nuclear dynamics in which relativistic effects are fully accounted for.

Exploring Models and Data for Remote Sensing Image Caption Generation

NASA Astrophysics Data System (ADS)

Lu, Xiaoqiang; Wang, Binqiang; Zheng, Xiangtao; Li, Xuelong

2018-04-01

Inspired by recent development of artificial satellite, remote sensing images have attracted extensive attention. Recently, noticeable progress has been made in scene classification and target detection.However, it is still not clear how to describe the remote sensing image content with accurate and concise sentences. In this paper, we investigate to describe the remote sensing images with accurate and flexible sentences. First, some annotated instructions are presented to better describe the remote sensing images considering the special characteristics of remote sensing images. Second, in order to exhaustively exploit the contents of remote sensing images, a large-scale aerial image data set is constructed for remote sensing image caption. Finally, a comprehensive review is presented on the proposed data set to fully advance the task of remote sensing caption. Extensive experiments on the proposed data set demonstrate that the content of the remote sensing image can be completely described by generating language descriptions. The data set is available at https://github.com/201528014227051/RSICD_optimal

The road surveying system of the federal highway research institute - a performance evaluation of road segmentation algorithms

NASA Astrophysics Data System (ADS)

Streiter, R.; Wanielik, G.

2013-07-01

The construction of highways and federal roadways is subject to many restrictions and designing rules. The focus is on safety, comfort and smooth driving. Unfortunately, the planning information for roadways and their real constitution, course and their number of lanes and lane widths is often unsure or not available. Due to digital map databases of roads raised much interest during the last years and became one major cornerstone of innovative Advanced Driving Assistance Systems (ADASs), the demand for accurate and detailed road information increases considerably. Within this project a measurement system for collecting high accurate road data was developed. This paper gives an overview about the sensor configuration within the measurement vehicle, introduces the implemented algorithms and shows some applications implemented in the post processing platform. The aim is to recover the origin parametric description of the roadway and the performance of the measurement system is being evaluated against several original road construction information.

New Insights on the Morphology of Adult Mouse Penis1

PubMed Central

Rodriguez, Esequiel; Weiss, Dana A.; Yang, Jennifer H.; Menshenina, Julia; Ferretti, Max; Cunha, Tristan J.; Barcellos, Dale; Chan, Lok Yun; Risbridger, Gail; Cunha, Gerald R.; Baskin, Laurence S.

2011-01-01

ABSTRACT The adult mouse penis represents the end point of masculine sex differentiation of the embryonic genital tubercle and contains bone, cartilage, the urethra, erectile bodies, several types of epithelium, and many individual cell types arrayed into specific anatomical structures. Using contemporary high-resolution imaging techniques, we sought to provide new insights to the current description of adult mouse penile morphology to enable understanding of penile abnormalities, including hypospadias. Examination of serial transverse and longitudinal sections, scanning electron microscopy, and three-dimensional (3D) reconstruction provided a new appreciation of the individual structures in the adult mouse penis and their 3D interrelationships. In so doing, we discovered novel paired erectile bodies, the male urogenital mating protuberance (MUMP), and more accurately described the urethral meatus. These morphological observations were quantified by morphometric analysis and now provide accurate morphological end points of sex differentiation of mouse penis that will be the foundation of future studies to identify normal and abnormal penile development. PMID:21918128

Beyond Born-Mayer: Improved models for short-range repulsion in ab initio force fields

DOE PAGES

Van Vleet, Mary J.; Misquitta, Alston J.; Stone, Anthony J.; ...

2016-06-23

Short-range repulsion within inter-molecular force fields is conventionally described by either Lennard-Jones or Born-Mayer forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of inter-molecular distances, thus creating challenges in the development of ab initio force fields and potentially leading to decreased accuracy and transferability. Herein, we derive a novel short-range functional form based on a simple Slater-like model of overlapping atomic densities and an iterated stockholder atom (ISA) partitioning of the molecular electron density. We demonstrate that this Slater-ISA methodology yields a more accurate, transferable, andmore » robust description of the short-range interactions at minimal additional computational cost compared to standard Lennard-Jones or Born-Mayer approaches. Lastly, we show how this methodology can be adapted to yield the standard Born-Mayer functional form while still retaining many of the advantages of the Slater-ISA approach.« less

Fully implicit adaptive mesh refinement solver for 2D MHD

NASA Astrophysics Data System (ADS)

Philip, B.; Chacon, L.; Pernice, M.

2008-11-01

Application of implicit adaptive mesh refinement (AMR) to simulate resistive magnetohydrodynamics is described. Solving this challenging multi-scale, multi-physics problem can improve understanding of reconnection in magnetically-confined plasmas. AMR is employed to resolve extremely thin current sheets, essential for an accurate macroscopic description. Implicit time stepping allows us to accurately follow the dynamical time scale of the developing magnetic field, without being restricted by fast Alfven time scales. At each time step, the large-scale system of nonlinear equations is solved by a Jacobian-free Newton-Krylov method together with a physics-based preconditioner. Each block within the preconditioner is solved optimally using the Fast Adaptive Composite grid method, which can be considered as a multiplicative Schwarz method on AMR grids. We will demonstrate the excellent accuracy and efficiency properties of the method with several challenging reduced MHD applications, including tearing, island coalescence, and tilt instabilities. B. Philip, L. Chac'on, M. Pernice, J. Comput. Phys., in press (2008)

Spatial adaption procedures on unstructured meshes for accurate unsteady aerodynamic flow computation

NASA Technical Reports Server (NTRS)

Rausch, Russ D.; Yang, Henry T. Y.; Batina, John T.

1991-01-01

Spatial adaption procedures for the accurate and efficient solution of steady and unsteady inviscid flow problems are described. The adaption procedures were developed and implemented within a two-dimensional unstructured-grid upwind-type Euler code. These procedures involve mesh enrichment and mesh coarsening to either add points in high gradient regions of the flow or remove points where they are not needed, respectively, to produce solutions of high spatial accuracy at minimal computational cost. The paper gives a detailed description of the enrichment and coarsening procedures and presents comparisons with alternative results and experimental data to provide an assessment of the accuracy and efficiency of the capability. Steady and unsteady transonic results, obtained using spatial adaption for the NACA 0012 airfoil, are shown to be of high spatial accuracy, primarily in that the shock waves are very sharply captured. The results were obtained with a computational savings of a factor of approximately fifty-three for a steady case and as much as twenty-five for the unsteady cases.

Multiscale Modeling of Gene-Behavior Associations in an Artificial Neural Network Model of Cognitive Development.

PubMed

Thomas, Michael S C; Forrester, Neil A; Ronald, Angelica

2016-01-01

In the multidisciplinary field of developmental cognitive neuroscience, statistical associations between levels of description play an increasingly important role. One example of such associations is the observation of correlations between relatively common gene variants and individual differences in behavior. It is perhaps surprising that such associations can be detected despite the remoteness of these levels of description, and the fact that behavior is the outcome of an extended developmental process involving interaction of the whole organism with a variable environment. Given that they have been detected, how do such associations inform cognitive-level theories? To investigate this question, we employed a multiscale computational model of development, using a sample domain drawn from the field of language acquisition. The model comprised an artificial neural network model of past-tense acquisition trained using the backpropagation learning algorithm, extended to incorporate population modeling and genetic algorithms. It included five levels of description-four internal: genetic, network, neurocomputation, behavior; and one external: environment. Since the mechanistic assumptions of the model were known and its operation was relatively transparent, we could evaluate whether cross-level associations gave an accurate picture of causal processes. We established that associations could be detected between artificial genes and behavioral variation, even under polygenic assumptions of a many-to-one relationship between genes and neurocomputational parameters, and when an experience-dependent developmental process interceded between the action of genes and the emergence of behavior. We evaluated these associations with respect to their specificity (to different behaviors, to function vs. structure), to their developmental stability, and to their replicability, as well as considering issues of missing heritability and gene-environment interactions. We argue that gene-behavior associations can inform cognitive theory with respect to effect size, specificity, and timing. The model demonstrates a means by which researchers can undertake multiscale modeling with respect to cognition and develop highly specific and complex hypotheses across multiple levels of description. Copyright © 2015 Cognitive Science Society, Inc.

Sandia National Laboratories environmental fluid dynamics code. Marine Hydrokinetic Module User's Manual

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

James, Scott Carlton; Roberts, Jesse D.

2014-03-01

This document describes the marine hydrokinetic (MHK) input file and subroutines for the Sandia National Laboratories Environmental Fluid Dynamics Code (SNL-EFDC), which is a combined hydrodynamic, sediment transport, and water quality model based on the Environmental Fluid Dynamics Code (EFDC) developed by John Hamrick [1], formerly sponsored by the U.S. Environmental Protection Agency, and now maintained by Tetra Tech, Inc. SNL-EFDC has been previously enhanced with the incorporation of the SEDZLJ sediment dynamics model developed by Ziegler, Lick, and Jones [2-4]. SNL-EFDC has also been upgraded to more accurately simulate algae growth with specific application to optimizing biomass in anmore » open-channel raceway for biofuels production [5]. A detailed description of the input file containing data describing the MHK device/array is provided, along with a description of the MHK FORTRAN routine. Both a theoretical description of the MHK dynamics as incorporated into SNL-EFDC and an explanation of the source code are provided. This user manual is meant to be used in conjunction with the original EFDC [6] and sediment dynamics SNL-EFDC manuals [7]. Through this document, the authors provide information for users who wish to model the effects of an MHK device (or array of devices) on a flow system with EFDC and who also seek a clear understanding of the source code, which is available from staff in the Water Power Technologies Department at Sandia National Laboratories, Albuquerque, New Mexico.« less

Aretaeus of Cappadocia and the first description of diabetes.

PubMed

Laios, Konstantinos; Karamanou, Marianna; Saridaki, Zenia; Androutsos, George

2012-01-01

The name Aretaeus of Cappadocia has been linked with diabetes more than that of any other physician of antiquity, his texts forming a sophisticated synthesis of the previous knowledge on this disease copiously supplemented by his own observations. Gifted with a unique faculty for observing pathologic phenomena, he was able to elaborate upon earlier texts enriching them with his own original findings and numerous thoughtful reflections. Among the many diseases he dealt with, Aretaeus has bequeathed to us an outstandingly vivid and accurate description of diabetes.

Accurate derivation of heart rate variability signal for detection of sleep disordered breathing in children.

PubMed

Chatlapalli, S; Nazeran, H; Melarkod, V; Krishnam, R; Estrada, E; Pamula, Y; Cabrera, S

2004-01-01

The electrocardiogram (ECG) signal is used extensively as a low cost diagnostic tool to provide information concerning the heart's state of health. Accurate determination of the QRS complex, in particular, reliable detection of the R wave peak, is essential in computer based ECG analysis. ECG data from Physionet's Sleep-Apnea database were used to develop, test, and validate a robust heart rate variability (HRV) signal derivation algorithm. The HRV signal was derived from pre-processed ECG signals by developing an enhanced Hilbert transform (EHT) algorithm with built-in missing beat detection capability for reliable QRS detection. The performance of the EHT algorithm was then compared against that of a popular Hilbert transform-based (HT) QRS detection algorithm. Autoregressive (AR) modeling of the HRV power spectrum for both EHT- and HT-derived HRV signals was achieved and different parameters from their power spectra as well as approximate entropy were derived for comparison. Poincare plots were then used as a visualization tool to highlight the detection of the missing beats in the EHT method After validation of the EHT algorithm on ECG data from the Physionet, the algorithm was further tested and validated on a dataset obtained from children undergoing polysomnography for detection of sleep disordered breathing (SDB). Sensitive measures of accurate HRV signals were then derived to be used in detecting and diagnosing sleep disordered breathing in children. All signal processing algorithms were implemented in MATLAB. We present a description of the EHT algorithm and analyze pilot data for eight children undergoing nocturnal polysomnography. The pilot data demonstrated that the EHT method provides an accurate way of deriving the HRV signal and plays an important role in extraction of reliable measures to distinguish between periods of normal and sleep disordered breathing (SDB) in children.

Individual pore and interconnection size analysis of macroporous ceramic scaffolds using high-resolution X-ray tomography

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

Jerban, Saeed, E-mail: saeed.jerban@usherbrooke.ca

2016-08-15

The pore interconnection size of β-tricalcium phosphate scaffolds plays an essential role in the bone repair process. Although, the μCT technique is widely used in the biomaterial community, it is rarely used to measure the interconnection size because of the lack of algorithms. In addition, discrete nature of the μCT introduces large systematic errors due to the convex geometry of interconnections. We proposed, verified and validated a novel pore-level algorithm to accurately characterize the individual pores and interconnections. Specifically, pores and interconnections were isolated, labeled, and individually analyzed with high accuracy. The technique was verified thoroughly by visually inspecting andmore » verifying over 3474 properties of randomly selected pores. This extensive verification process has passed a one-percent accuracy criterion. Scanning errors inherent in the discretization, which lead to both dummy and significantly overestimated interconnections, have been examined using computer-based simulations and additional high-resolution scanning. Then accurate correction charts were developed and used to reduce the scanning errors. Only after the corrections, both the μCT and SEM-based results converged, and the novel algorithm was validated. Material scientists with access to all geometrical properties of individual pores and interconnections, using the novel algorithm, will have a more-detailed and accurate description of the substitute architecture and a potentially deeper understanding of the link between the geometric and biological interaction. - Highlights: •An algorithm is developed to analyze individually all pores and interconnections. •After pore isolating, the discretization errors in interconnections were corrected. •Dummy interconnections and overestimated sizes were due to thin material walls. •The isolating algorithm was verified through visual inspection (99% accurate). •After correcting for the systematic errors, algorithm was validated successfully.« less

Spanish methodological approach for biosphere assessment of radioactive waste disposal.

PubMed

Agüero, A; Pinedo, P; Cancio, D; Simón, I; Moraleda, M; Pérez-Sánchez, D; Trueba, C

2007-10-01

The development of radioactive waste disposal facilities requires implementation of measures that will afford protection of human health and the environment over a specific temporal frame that depends on the characteristics of the wastes. The repository design is based on a multi-barrier system: (i) the near-field or engineered barrier, (ii) far-field or geological barrier and (iii) the biosphere system. Here, the focus is on the analysis of this last system, the biosphere. A description is provided of conceptual developments, methodological aspects and software tools used to develop the Biosphere Assessment Methodology in the context of high-level waste (HLW) disposal facilities in Spain. This methodology is based on the BIOMASS "Reference Biospheres Methodology" and provides a logical and systematic approach with supplementary documentation that helps to support the decisions necessary for model development. It follows a five-stage approach, such that a coherent biosphere system description and the corresponding conceptual, mathematical and numerical models can be built. A discussion on the improvements implemented through application of the methodology to case studies in international and national projects is included. Some facets of this methodological approach still require further consideration, principally an enhanced integration of climatology, geography and ecology into models considering evolution of the environment, some aspects of the interface between the geosphere and biosphere, and an accurate quantification of environmental change processes and rates.

Steady state conductance in a double quantum dot array: the nonequilibrium equation-of-motion Green function approach.

PubMed

Levy, Tal J; Rabani, Eran

2013-04-28

We study steady state transport through a double quantum dot array using the equation-of-motion approach to the nonequilibrium Green functions formalism. This popular technique relies on uncontrolled approximations to obtain a closure for a hierarchy of equations; however, its accuracy is questioned. We focus on 4 different closures, 2 of which were previously proposed in the context of the single quantum dot system (Anderson impurity model) and were extended to the double quantum dot array, and develop 2 new closures. Results for the differential conductance are compared to those attained by a master equation approach known to be accurate for weak system-leads couplings and high temperatures. While all 4 closures provide an accurate description of the Coulomb blockade and other transport properties in the single quantum dot case, they differ in the case of the double quantum dot array, where only one of the developed closures provides satisfactory results. This is rationalized by comparing the poles of the Green functions to the exact many-particle energy differences for the isolate system. Our analysis provides means to extend the equation-of-motion technique to more elaborate models of large bridge systems with strong electronic interactions.

Mathematical and Numerical Techniques in Energy and Environmental Modeling

NASA Astrophysics Data System (ADS)

Chen, Z.; Ewing, R. E.

Mathematical models have been widely used to predict, understand, and optimize many complex physical processes, from semiconductor or pharmaceutical design to large-scale applications such as global weather models to astrophysics. In particular, simulation of environmental effects of air pollution is extensive. Here we address the need for using similar models to understand the fate and transport of groundwater contaminants and to design in situ remediation strategies. Three basic problem areas need to be addressed in the modeling and simulation of the flow of groundwater contamination. First, one obtains an effective model to describe the complex fluid/fluid and fluid/rock interactions that control the transport of contaminants in groundwater. This includes the problem of obtaining accurate reservoir descriptions at various length scales and modeling the effects of this heterogeneity in the reservoir simulators. Next, one develops accurate discretization techniques that retain the important physical properties of the continuous models. Finally, one develops efficient numerical solution algorithms that utilize the potential of the emerging computing architectures. We will discuss recent advances and describe the contribution of each of the papers in this book in these three areas. Keywords: reservoir simulation, mathematical models, partial differential equations, numerical algorithms

A fast numerical scheme for causal relativistic hydrodynamics with dissipation

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

Takamoto, Makoto, E-mail: takamoto@tap.scphys.kyoto-u.ac.jp; Inutsuka, Shu-ichiro

2011-08-01

Highlights: {yields} We have developed a new multi-dimensional numerical scheme for causal relativistic hydrodynamics with dissipation. {yields} Our new scheme can calculate the evolution of dissipative relativistic hydrodynamics faster and more effectively than existing schemes. {yields} Since we use the Riemann solver for solving the advection steps, our method can capture shocks very accurately. - Abstract: In this paper, we develop a stable and fast numerical scheme for relativistic dissipative hydrodynamics based on Israel-Stewart theory. Israel-Stewart theory is a stable and causal description of dissipation in relativistic hydrodynamics although it includes relaxation process with the timescale for collision of constituentmore » particles, which introduces stiff equations and makes practical numerical calculation difficult. In our new scheme, we use Strang's splitting method, and use the piecewise exact solutions for solving the extremely short timescale problem. In addition, since we split the calculations into inviscid step and dissipative step, Riemann solver can be used for obtaining numerical flux for the inviscid step. The use of Riemann solver enables us to capture shocks very accurately. Simple numerical examples are shown. The present scheme can be applied to various high energy phenomena of astrophysics and nuclear physics.« less

A second generation distributed point polarizable water model.

PubMed

Kumar, Revati; Wang, Fang-Fang; Jenness, Glen R; Jordan, Kenneth D

2010-01-07

A distributed point polarizable model (DPP2) for water, with explicit terms for charge penetration, induction, and charge transfer, is introduced. The DPP2 model accurately describes the interaction energies in small and large water clusters and also gives an average internal energy per molecule and radial distribution functions of liquid water in good agreement with experiment. A key to the success of the model is its accurate description of the individual terms in the n-body expansion of the interaction energies.

Dissecting innate immune responses with the tools of systems biology.

PubMed

Smith, Kelly D; Bolouri, Hamid

2005-02-01

Systems biology strives to derive accurate predictive descriptions of complex systems such as innate immunity. The innate immune system is essential for host defense, yet the resulting inflammatory response must be tightly regulated. Current understanding indicates that this system is controlled by complex regulatory networks, which maintain homoeostasis while accurately distinguishing pathogenic infections from harmless exposures. Recent studies have used high throughput technologies and computational techniques that presage predictive models and will be the foundation of a systems level understanding of innate immunity.

Reproducible computational biology experiments with SED-ML - The Simulation Experiment Description Markup Language

PubMed Central

2011-01-01

Background The increasing use of computational simulation experiments to inform modern biological research creates new challenges to annotate, archive, share and reproduce such experiments. The recently published Minimum Information About a Simulation Experiment (MIASE) proposes a minimal set of information that should be provided to allow the reproduction of simulation experiments among users and software tools. Results In this article, we present the Simulation Experiment Description Markup Language (SED-ML). SED-ML encodes in a computer-readable exchange format the information required by MIASE to enable reproduction of simulation experiments. It has been developed as a community project and it is defined in a detailed technical specification and additionally provides an XML schema. The version of SED-ML described in this publication is Level 1 Version 1. It covers the description of the most frequent type of simulation experiments in the area, namely time course simulations. SED-ML documents specify which models to use in an experiment, modifications to apply on the models before using them, which simulation procedures to run on each model, what analysis results to output, and how the results should be presented. These descriptions are independent of the underlying model implementation. SED-ML is a software-independent format for encoding the description of simulation experiments; it is not specific to particular simulation tools. Here, we demonstrate that with the growing software support for SED-ML we can effectively exchange executable simulation descriptions. Conclusions With SED-ML, software can exchange simulation experiment descriptions, enabling the validation and reuse of simulation experiments in different tools. Authors of papers reporting simulation experiments can make their simulation protocols available for other scientists to reproduce the results. Because SED-ML is agnostic about exact modeling language(s) used, experiments covering models from different fields of research can be accurately described and combined. PMID:22172142

A georeferenced Landsat digital database for forest insect-damage assessment

NASA Technical Reports Server (NTRS)

Williams, D. L.; Nelson, R. F.; Dottavio, C. L.

1985-01-01

In 1869, the gypsy moth caterpillar was introduced in the U.S. in connection with the experiments of a French scientist. Throughout the insect's period of establishment, gypsy moth populations have periodically increased to epidemic proportions. For programs concerned with preventing the insect's spread, it would be highly desirable to be able to employ a survey technique which could provide timely, accurate, and standardized assessments at a reasonable cost. A project was, therefore, initiated with the aim to demonstrate the usefulness of satellite remotely sensed data for monitoring the insect defoliation of hardwood forests in Pennsylvania. A major effort within this project involved the development of a map-registered Landsat digital database. A complete description of the database developed is provided along with information regarding the employed data management system.

Northern Everglades, Florida, satellite image map

USGS Publications Warehouse

Thomas, Jean-Claude; Jones, John W.

2002-01-01

These satellite image maps are one product of the USGS Land Characteristics from Remote Sensing project, funded through the USGS Place-Based Studies Program with support from the Everglades National Park. The objective of this project is to develop and apply innovative remote sensing and geographic information system techniques to map the distribution of vegetation, vegetation characteristics, and related hydrologic variables through space and over time. The mapping and description of vegetation characteristics and their variations are necessary to accurately simulate surface hydrology and other surface processes in South Florida and to monitor land surface changes. As part of this research, data from many airborne and satellite imaging systems have been georeferenced and processed to facilitate data fusion and analysis. These image maps were created using image fusion techniques developed as part of this project.

DNA DAMAGE QUANTITATION BY ALKALINE GEL ELECTROPHORESIS.

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

SUTHERLAND,B.M.; BENNETT,P.V.; SUTHERLAND, J.C.

2004-03-24

Physical and chemical agents in the environment, those used in clinical applications, or encountered during recreational exposures to sunlight, induce damages in DNA. Understanding the biological impact of these agents requires quantitation of the levels of such damages in laboratory test systems as well as in field or clinical samples. Alkaline gel electrophoresis provides a sensitive (down to {approx} a few lesions/5Mb), rapid method of direct quantitation of a wide variety of DNA damages in nanogram quantities of non-radioactive DNAs from laboratory, field, or clinical specimens, including higher plants and animals. This method stems from velocity sedimentation studies of DNAmore » populations, and from the simple methods of agarose gel electrophoresis. Our laboratories have developed quantitative agarose gel methods, analytical descriptions of DNA migration during electrophoresis on agarose gels (1-6), and electronic imaging for accurate determinations of DNA mass (7-9). Although all these components improve sensitivity and throughput of large numbers of samples (7,8,10), a simple version using only standard molecular biology equipment allows routine analysis of DNA damages at moderate frequencies. We present here a description of the methods, as well as a brief description of the underlying principles, required for a simplified approach to quantitation of DNA damages by alkaline gel electrophoresis.« less

Integration of the Two-Dimensional Power Spectral Density into Specifications for the X-ray Domain -- Problems and Opportunities

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

McKinney, Wayne R.; Howells, M. R.; Yashchuk, V. V.

2008-09-30

An implementation of the two-dimensional statistical scattering theory of Church and Takacs for the prediction of scattering from x-ray mirrors is presented with a graphical user interface. The process of this development has clarified several problems which are of significant interest to the synchrotron community. These problems have been addressed to some extent, for example, for large astronomical telescopes, and at the National Ignition Facility for normal incidence optics, but not in the synchrotron community for grazing incidence optics. Since it is based on the Power Spectral Density (PSD) to provide a description of the deviations from ideal shape ofmore » the surface, accurate prediction of the scattering requires an accurate estimation of the PSD. Specifically, the spatial frequency range of measurement must be the correct one for the geometry of use of the optic--including grazing incidence and coherence effects, and the modifications to the PSD of the Optical Transfer Functions (OTF) of the measuring instruments must be removed. A solution for removal of OTF effects has been presented previously, the Binary Pseudo-Random Grating. Typically, the frequency range of a single instrument does not cover the range of interest, requiring the stitching together of PSD estimations. This combination generates its own set of difficulties in two dimensions. Fitting smooth functions to two dimensional PSDs, particularly in the case of spatial non-isotropy of the surface, which is often the case for optics in synchrotron beam lines, can be difficult. The convenient, and physically accurate fractal for one dimension does not readily transfer to two dimensions. Finally, a completely statistical description of scattering must be integrated with a deterministic low spatial frequency component in order to completely model the intensity near the image. An outline for approaching these problems, and our proposed experimental program is given.« less

The International Society for Sexual Medicine: A Rich History and a Bright Future.

PubMed

Lewis, Ronald W

2013-07-01

Based upon physical presence at most of the historical moments of the development of the International Society for Sexual Medicine (ISSM), extensive personal records on meetings and correspondence associated with the business and the work of the International Society for Sexual and Impotence Research and the ISSM, and information provided by the business office of the ISSM, a review paper was created to present to the reader an accurate history of the ISSM. The article is divided into the early beginnings of the idea of the field of sexual medicine, followed by the organization of what was to become eventually the International Society for Sexual Medicine, description of the development of biennial meetings and some of the major events that occurred at these meetings, a description of officers and leaders of the society and some of their key contributions, other meetings that the ISSM was actively involved in in the field of sexual medicine, a detailed discussion of publications and communications of the organization, and finally a description of the involvement of the ISSM with the recognition of scientific achievement and research in the field. This history is indeed very rich and unique for the parallelism to the development of the entire field of sexual medicine as a true science. The author has spent a great deal of time in making sure that there is written material that substantiates the history that is outlined in this document. It is provided to the reader as a true historical perspective on the ISSM. Lewis RW. The International Society for Sexual Medicine: A rich history and a bright future. Sex Med Rev 2013; 1:65-75. Copyright © 2013 International Society for Sexual Medicine. Published by Elsevier Inc. All rights reserved.

Comparison of several classical density functional theories for the adsorption of flexible chain molecules into cylindrical nanopores.

PubMed

Hlushak, S P; Cummings, P T; McCabe, C

2013-12-21

Adsorption of flexible oligomers into narrow cylindrical pores has been studied by means of several versions of classical density functional theory (CDFT) and Monte Carlo simulation. The adsorption process is interesting to study due to the competition between the entropic depletion of oligomers from the pores and the wall-oligomer attraction. It is also challenging to describe using current CDFTs, which tend to overestimate the amount of the adsorbed fluid. From a comparison of several different CDFT approaches, we find that this is due to the assumption of ideal or freely jointed chain conformations. Moreover, it is demonstrated that it is impossible to obtain a reasonable description of the adsorption isotherms without taking into account accurate contact values in the distribution functions describing the structure of the reference monomer fluid. At low densities, more accurate result are obtained in comparison with Monte Carlo simulation data when accurate contact values are incorporated into the theory rather than the more commonly used hard-sphere contact value. However, even the CDFT with accurate contact values still overestimates the amount of the adsorbed fluid due to the ideal or freely jointed chain approximation, used for the description of chain conformations in most CDFT approaches. We find that significant improvement can achieved by employing self-consistent field theory, which samples self-avoiding chain conformations and decreases the number of possible chain conformations, and, consequently, the amount of the adsorbed fluid.

First principles modeling of the metal-electrolyte interface: A novel approach to the study of the electrochemical interface

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

Fernandez-Serra, Maria Victoria

2016-09-12

The research objective of this proposal is the computational modeling of the metal-electrolyte interface purely from first principles. The accurate calculation of the electrostatic potential at electrically biased metal-electrolyte interfaces is a current challenge for periodic “ab-initio” simulations. It is also an essential requisite for predicting the correspondence between the macroscopic voltage and the microscopic interfacial charge distribution in electrochemical fuel cells. This interfacial charge distribution is the result of the chemical bonding between solute and metal atoms, and therefore cannot be accurately calculated with the use of semi-empirical classical force fields. The project aims to study in detail themore » structure and dynamics of aqueous electrolytes at metallic interfaces taking into account the effect of the electrode potential. Another side of the project is to produce an accurate method to simulate the water/metal interface. While both experimental and theoretical surface scientists have made a lot of progress on the understanding and characterization of both atomistic structures and reactions at the solid/vacuum interface, the theoretical description of electrochemical interfaces is still lacking behind. A reason for this is that a complete and accurate first principles description of both the liquid and the metal interfaces is still computationally too expensive and complex, since their characteristics are governed by the explicit atomic and electronic structure built at the interface as a response to environmental conditions. This project will characterize in detail how different theoretical levels of modeling describer the metal/water interface. In particular the role of van der Waals interactions will be carefully analyzed and prescriptions to perform accurate simulations will be produced.« less

Validation of a multi-layer Green's function code for ion beam transport

NASA Astrophysics Data System (ADS)

Walker, Steven; Tweed, John; Tripathi, Ram; Badavi, Francis F.; Miller, Jack; Zeitlin, Cary; Heilbronn, Lawrence

To meet the challenge of future deep space programs, an accurate and efficient engineering code for analyzing the shielding requirements against high-energy galactic heavy radiations is needed. In consequence, a new version of the HZETRN code capable of simulating high charge and energy (HZE) ions with either laboratory or space boundary conditions is currently under development. The new code, GRNTRN, is based on a Green's function approach to the solution of Boltzmann's transport equation and like its predecessor is deterministic in nature. The computational model consists of the lowest order asymptotic approximation followed by a Neumann series expansion with non-perturbative corrections. The physical description includes energy loss with straggling, nuclear attenuation, nuclear fragmentation with energy dispersion and down shift. Code validation in the laboratory environment is addressed by showing that GRNTRN accurately predicts energy loss spectra as measured by solid-state detectors in ion beam experiments with multi-layer targets. In order to validate the code with space boundary conditions, measured particle fluences are propagated through several thicknesses of shielding using both GRNTRN and the current version of HZETRN. The excellent agreement obtained indicates that GRNTRN accurately models the propagation of HZE ions in the space environment as well as in laboratory settings and also provides verification of the HZETRN propagator.

Frame Shift/warp Compensation for the ARID Robot System

NASA Technical Reports Server (NTRS)

Latino, Carl D.

1991-01-01

The Automatic Radiator Inspection Device (ARID) is a system aimed at automating the tedious task of inspecting orbiter radiator panels. The ARID must have the ability to aim a camera accurately at the desired inspection points, which are in the order of 13,000. The ideal inspection points are known; however, the panel may be relocated due to inaccurate parking and warpage. A method of determining the mathematical description of a translated as well as a warped surface by accurate measurement of only a few points on this surface is developed here. The method uses a linear warp model whose effect is superimposed on the rigid body translation. Due to the angles involved, small angle approximations are possible, which greatly reduces the computational complexity. Given an accurate linear warp model, all the desired translation and warp parameters can be obtained by knowledge of the ideal locations of four fiducial points and the corresponding measurements of these points on the actual radiator surface. The method uses three of the fiducials to define a plane and the fourth to define the warp. Given this information, it is possible to determine a transformation that will enable the ARID system to translate any desired inspection point on the ideal surface to its corresponding value on the actual surface.

Quantitative measurement and analysis for detection and treatment planning of developmental dysplasia of the hip

NASA Astrophysics Data System (ADS)

Liu, Xin; Lu, Hongbing; Chen, Hanyong; Zhao, Li; Shi, Zhengxing; Liang, Zhengrong

2009-02-01

Developmental dysplasia of the hip is a congenital hip joint malformation affecting the proximal femurs and acetabulum that are subluxatable, dislocatable, and dislocated. Conventionally, physicians made diagnoses and treatments only based on findings from two-dimensional (2D) images by manually calculating clinic parameters. However, anatomical complexity of the disease and the limitation of current standard procedures make accurate diagnosis quite difficultly. In this study, we developed a system that provides quantitative measurement of 3D clinical indexes based on computed tomography (CT) images. To extract bone structure from surrounding tissues more accurately, the system firstly segments the bone using a knowledge-based fuzzy clustering method, which is formulated by modifying the objective function of the standard fuzzy c-means algorithm with additive adaptation penalty. The second part of the system calculates automatically the clinical indexes, which are extended from 2D to 3D for accurate description of spatial relationship between femurs and acetabulum. To evaluate the system performance, experimental study based on 22 patients with unilateral or bilateral affected hip was performed. The results of 3D acetabulum index (AI) automatically provided by the system were validated by comparison with 2D results measured by surgeons manually. The correlation between the two results was found to be 0.622 (p<0.01).

Embryonic development of lake whitefish Coregonus clupeaformis: a staging series, analysis of growth and effects of fixation.

PubMed

Sreetharan, S; Thome, C; Mitz, C; Eme, J; Mueller, C A; Hulley, E N; Manzon, R G; Somers, C M; Boreham, D R; Wilson, J Y

2015-09-01

A reference staging series of 18 morphological stages of laboratory reared lake whitefish Coregonus clupeaformis is provided. The developmental processes of blastulation, gastrulation, neurulation as well as development of the eye, circulatory system, chromatophores and mouth are included and accompanied by detailed descriptions and live imaging. Quantitative measurements of embryo size and mass were taken at each developmental stage. Eggs were 3·19 ± 0·16 mm (mean ± s.d.) in diameter at fertilization and embryos reached a total length (LT ) of 14·25 ± 0·41 mm at hatch. Separated yolk and embryo dry mass were 0·25 ± 0·08 mg and 1·39 ± 0·17 mg, respectively, at hatch. The effects of two common preservatives (formalin and ethanol) were examined throughout development and post hatch. Embryo LT significantly decreased following fixation at all points in development. A correction factor to estimate live LT from corresponding fixed LT was determined as live LT = (fixed LT )(1·025) . Eye diameter and yolk area measurements significantly increased in fixed compared with live embryos up to 85-90% development for both measurements. The described developmental stages can be generalized to teleost species, and is particularly relevant for the study of coregonid development due to additionally shared developmental characteristics. The results of this study and staging series are therefore applicable across various research streams encompassing numerous species that require accurate staging of embryos and descriptions of morphological development. © 2015 The Fisheries Society of the British Isles.

Creating Body Shapes From Verbal Descriptions by Linking Similarity Spaces.

PubMed

Hill, Matthew Q; Streuber, Stephan; Hahn, Carina A; Black, Michael J; O'Toole, Alice J

2016-11-01

Brief verbal descriptions of people's bodies (e.g., "curvy," "long-legged") can elicit vivid mental images. The ease with which these mental images are created belies the complexity of three-dimensional body shapes. We explored the relationship between body shapes and body descriptions and showed that a small number of words can be used to generate categorically accurate representations of three-dimensional bodies. The dimensions of body-shape variation that emerged in a language-based similarity space were related to major dimensions of variation computed directly from three-dimensional laser scans of 2,094 bodies. This relationship allowed us to generate three-dimensional models of people in the shape space using only their coordinates on analogous dimensions in the language-based description space. Human descriptions of photographed bodies and their corresponding models matched closely. The natural mapping between the spaces illustrates the role of language as a concise code for body shape that captures perceptually salient global and local body features. © The Author(s) 2016.

Construction and accuracy of partial differential equation approximations to the chemical master equation.

PubMed

Grima, Ramon

2011-11-01

The mesoscopic description of chemical kinetics, the chemical master equation, can be exactly solved in only a few simple cases. The analytical intractability stems from the discrete character of the equation, and hence considerable effort has been invested in the development of Fokker-Planck equations, second-order partial differential equation approximations to the master equation. We here consider two different types of higher-order partial differential approximations, one derived from the system-size expansion and the other from the Kramers-Moyal expansion, and derive the accuracy of their predictions for chemical reactive networks composed of arbitrary numbers of unimolecular and bimolecular reactions. In particular, we show that the partial differential equation approximation of order Q from the Kramers-Moyal expansion leads to estimates of the mean number of molecules accurate to order Ω(-(2Q-3)/2), of the variance of the fluctuations in the number of molecules accurate to order Ω(-(2Q-5)/2), and of skewness accurate to order Ω(-(Q-2)). We also show that for large Q, the accuracy in the estimates can be matched only by a partial differential equation approximation from the system-size expansion of approximate order 2Q. Hence, we conclude that partial differential approximations based on the Kramers-Moyal expansion generally lead to considerably more accurate estimates in the mean, variance, and skewness than approximations of the same order derived from the system-size expansion.

Review of the genus Tenuipalpus (Acari: Tenuipalpidae)

USDA-ARS?s Scientific Manuscript database

Tenuipalpus Donnadieu is the most speciose genus of the family Tenuipalpidae, with over 300 described species. The descriptions of many of these species are incomplete, and lack important information necessary for accurate species identification. The objective of this study was to re-describe specie...

Job Orientation of Male and Female College Graduates in Business

ERIC Educational Resources Information Center

Manhardt, Philip J.

1972-01-01

There was little overall sex differences in intrinsic job orientation but it was shown that the intrinsic-extrinsic dimension provides neither a complete explanation of the observed differences nor an accurate description of the underlying structure of job orientation. (Author)

Space life support engineering program

NASA Technical Reports Server (NTRS)

Seagrave, Richard C.

1991-01-01

This report covers the first six months of work performed under the NASA University Grant awarded to Iowa State University to perform research on two topics relating to the development of closed-loop long-term life support systems. A comprehensive study to develop software to simulate the dynamic operation of water reclamation systems in long-term closed-loop life support systems is being carried out as part of an overall program for the design of systems for a Mars voyage. This project is being done in parallel with a similar effort in the Department of Chemistry to develop durable accurate low-cost sensors for monitoring of trace chemical and biological species in recycled water supplies. Aspen-Plus software is being used on a group of high-performance workstations to develop the steady state descriptions for a number of existing technologies. Following completion, a dynamic simulation package will be developed for determining the response of such systems to changes in the metabolic needs of the crew and to upsets in system hardware performance.

Development of a Protocol for Automated Glucose Measurement Transmission Used in Clinical Decision Support Systems Based on the Continua Design Guidelines.

PubMed

Meyer, Markus; Donsa, Klaus; Truskaller, Thomas; Frohner, Matthias; Pohn, Birgit; Felfernig, Alexander; Sinner, Frank; Pieber, Thomas

2018-01-01

A fast and accurate data transmission from glucose meter to clinical decision support systems (CDSSs) is crucial for the management of type 2 diabetes mellitus since almost all therapeutic interventions are derived from glucose measurements. Aim was to develop a prototype of an automated glucose measurement transmission protocol based on the Continua Design Guidelines and to embed the protocol into a CDSS used by healthcare professionals. A literature and market research was performed to analyze the state-of-the-art and thereupon develop, integrate and validate an automated glucose measurement transmission protocol in an iterative process. Findings from literature and market research guided towards the development of a standardized glucose measurement transmission protocol using a middleware. The interface description to communicate with the glucose meter was illustrated and embedded into a CDSS. A prototype of an interoperable transmission of glucose measurements was developed and implemented in a CDSS presenting a promising way to reduce medication errors and improve user satisfaction.

Towards a more accurate microscopic description of the moving contact line problem - incorporating nonlocal effects through a statistical mechanics framework

NASA Astrophysics Data System (ADS)

Nold, Andreas; Goddard, Ben; Sibley, David; Kalliadasis, Serafim

2014-03-01

Multiscale effects play a predominant role in wetting phenomena such as the moving contact line. An accurate description is of paramount interest for a wide range of industrial applications, yet it is a matter of ongoing research, due to the difficulty of incorporating different physical effects in one model. Important small-scale phenomena are corrections to the attractive fluid-fluid and wall-fluid forces in inhomogeneous density distributions, which often previously have been accounted for by the disjoining pressure in an ad-hoc manner. We systematically derive a novel model for the description of a single-component liquid-vapor multiphase system which inherently incorporates these nonlocal effects. This derivation, which is inspired by statistical mechanics in the framework of colloidal density functional theory, is critically discussed with respect to its assumptions and restrictions. The model is then employed numerically to study a moving contact line of a liquid fluid displacing its vapor phase. We show how nonlocal physical effects are inherently incorporated by the model and describe how classical macroscopic results for the contact line motion are retrieved. We acknowledge financial support from ERC Advanced Grant No. 247031 and Imperial College through a DTG International Studentship.

Parsimonious description for predicting high-dimensional dynamics

PubMed Central

Hirata, Yoshito; Takeuchi, Tomoya; Horai, Shunsuke; Suzuki, Hideyuki; Aihara, Kazuyuki

2015-01-01

When we observe a system, we often cannot observe all its variables and may have some of its limited measurements. Under such a circumstance, delay coordinates, vectors made of successive measurements, are useful to reconstruct the states of the whole system. Although the method of delay coordinates is theoretically supported for high-dimensional dynamical systems, practically there is a limitation because the calculation for higher-dimensional delay coordinates becomes more expensive. Here, we propose a parsimonious description of virtually infinite-dimensional delay coordinates by evaluating their distances with exponentially decaying weights. This description enables us to predict the future values of the measurements faster because we can reuse the calculated distances, and more accurately because the description naturally reduces the bias of the classical delay coordinates toward the stable directions. We demonstrate the proposed method with toy models of the atmosphere and real datasets related to renewable energy. PMID:26510518

Non-invasive quantification of hemodynamics in human choriocapillaries

NASA Astrophysics Data System (ADS)

Yu, Huidan (Whitney); Chen, Rou; An, Senyou; McDonough, James; Gelfand, Bradley; Yao, Jun

2016-11-01

The development of retinal disease is inextricably linked to defects in the choroidal blood supply. However, to date a description of the hemodynamics in the human choroidal circulation is lacking. Through high resolution choroidal vascular network mapped from immunofluorescent labeling and confocal microscopy of human cadaver donor eyes. We noninvasively quantify hemodynamics including velocity, pressure, and wall-shear stress (WSS) in choriocapillaries through mesoscale modeling and GPU-accelerated fast computation. This is the first-ever map of hemodynamic parameters (WSS, pressure, and velocity) in anatomically accurate human choroidal vasculature in health and disease. The pore scale simulation results are used to evaluate porous media models with the same porosity and boundary conditions. School of Medicine, Indiana University.

Improved treatment of nucleosides and nucleotides in the OPLS-AA force field

NASA Astrophysics Data System (ADS)

Robertson, Michael J.; Tirado-Rives, Julian; Jorgensen, William L.

2017-09-01

DFT calculations have been used to develop improved descriptions of the torsional energetics for nucleosides and nucleotides in the OPLS-AA force field. Scans of nucleotide dihedral angles (γ, χ, and β) and methyl phosphates provided the bases for the new torsional parameters. In addition, the angle-bending parameters of phosphodiesters and ribose were updated, and adjustments were made to existing carbohydrate torsions to better capture the sugar puckering landscape of ribose. MD simulations of nucleosides with the new parameters demonstrate a significant improvement in the ribose sugar puckering and χ angle distributions. Additionally, energy-minimization of protein-nucleotide crystal structures with the new parameters produced accurate poses.

Magnetic resonance angiography in perforator flap breast reconstruction

PubMed Central

Levine, Joshua L.

2016-01-01

Magnetic resonance angiography (MRA) is an extremely useful preoperative imaging test for evaluation of the vasculature of donor tissue to be used in autologous breast reconstruction. MRA has sufficient spacial resolution to reliably visualize 1 mm perforating vessels and to accurately locate vessels in reference to a patient’s anatomic landmarks without exposing patients to ionizing radiation or iodinated contrast. The use of a blood pool contrast agent and the lack of radiation exposure allow multiple studies of multiple anatomic regions in one examination. The following article is a detailed description of our MRA protocol developed with our radiologists with examples that illustrate the utility of MRA in perforator flap breast reconstruction. PMID:27047787

Anomalous dissipation and kinetic-energy distribution in pipes at very high Reynolds numbers.

PubMed

Chen, Xi; Wei, Bo-Bo; Hussain, Fazle; She, Zhen-Su

2016-01-01

A symmetry-based theory is developed for the description of (streamwise) kinetic energy K in turbulent pipes at extremely high Reynolds numbers (Re's). The theory assumes a mesolayer with continual deformation of wall-attached eddies which introduce an anomalous dissipation, breaking the exact balance between production and dissipation. An outer peak of K is predicted above a critical Re of 10^{4}, in good agreement with experimental data. The theory offers an alternative explanation for the recently discovered logarithmic distribution of K. The concept of anomalous dissipation is further supported by a significant modification of the k-ω equation, yielding an accurate prediction of the entire K profile.

3-D Human body models in C.A.D. : Anthropometric Aspects

NASA Astrophysics Data System (ADS)

Renaud, C.; Steck, R.; Pineau, J. C.

1986-07-01

Modeling and simulation methods of man-machine systems are developed at the laboratory by interactive infography and C.A.D. technics. In order to better apprehend the morphological variability of populations we have enriched the 3-D model with a parametric function using classical anthropometric dimensions. We have selected reference, associate and complementary dimensions : lengths, breadths, circumferences and depths, which depend on operator's tasks and characteristics of workplaces. All anthropometric values come from the International Data Bank of Human Biometry of ERGODATA System. The utilization of the parametric function brings a quick and accurate description of morphology for theoretic subjects and can be used in C.A.D. analysis.

A network medicine approach to quantify distance between hereditary disease modules on the interactome

NASA Astrophysics Data System (ADS)

Caniza, Horacio; Romero, Alfonso E.; Paccanaro, Alberto

2015-12-01

We introduce a MeSH-based method that accurately quantifies similarity between heritable diseases at molecular level. This method effectively brings together the existing information about diseases that is scattered across the vast corpus of biomedical literature. We prove that sets of MeSH terms provide a highly descriptive representation of heritable disease and that the structure of MeSH provides a natural way of combining individual MeSH vocabularies. We show that our measure can be used effectively in the prediction of candidate disease genes. We developed a web application to query more than 28.5 million relationships between 7,574 hereditary diseases (96% of OMIM) based on our similarity measure.

A novel approach to describing and detecting performance anti-patterns

NASA Astrophysics Data System (ADS)

Sheng, Jinfang; Wang, Yihan; Hu, Peipei; Wang, Bin

2017-08-01

Anti-pattern, as an extension to pattern, describes a widely used poor solution which can bring negative influence to application systems. Aiming at the shortcomings of the existing anti-pattern descriptions, an anti-pattern description method based on first order predicate is proposed. This method synthesizes anti-pattern forms and symptoms, which makes the description more accurate and has good scalability and versatility as well. In order to improve the accuracy of anti-pattern detection, a Bayesian classification method is applied in validation for detection results, which can reduce false negatives and false positives of anti-pattern detection. Finally, the proposed approach in this paper is applied to a small e-commerce system, the feasibility and effectiveness of the approach is demonstrated further through experiments.

Dr John Nottingham's 1854 Landmark Treatise on Conical Cornea Considered in the Context of the Current Knowledge of Keratoconus.

PubMed

Gokul, Akilesh; Patel, Dipika V; McGhee, Charles N J

2016-05-01

John Nottingham has been widely credited with the first accurate description of keratoconus in his treatise on conical cornea, published in 1854. Contained within the 270-page treatise are accounts and theories of keratoconus postulated by authors such as Scarpa, von Carion, von Ammon, and Mackenzie, synthesized by Nottingham in a treatise containing his own original observations. Nottingham's work delves deeply into keratoconus, with coverage reminiscent of a modern review, albeit in a far less succinct manner. He extensively describes the epidemiology, clinical presentation, underlying cause, and treatment of keratoconus. However, the concepts put forth are limited largely by the contemporary lack of understanding of the underlying anatomy and physiology of the eye, and the observations, by technological limitations. He postulates a similar treatment algorithm to that used today; optical devices being the management option of choice in the mild stages with surgery being a last resort. None of the surgical methods discussed are used in the modern era, but he does make reference to the possible efficacy of corneal transplantation. Nottingham's treatise was published over 160 years ago, yet his ideas and observations are surprisingly accurate. It is very possible that he was the first person to publish an accurate, comprehensive description of keratoconus.

Structural Acoustic Physics Based Modeling of Curved Composite Shells

DTIC Science & Technology

2017-09-19

Results show that the finite element computational models accurately match analytical calculations, and that the composite material studied in this...products. 15. SUBJECT TERMS Finite Element Analysis, Structural Acoustics, Fiber-Reinforced Composites, Physics-Based Modeling 16. SECURITY...2 4 FINITE ELEMENT MODEL DESCRIPTION

21 CFR 71.1 - Petitions.

Code of Federal Regulations, 2013 CFR

2013-04-01

... accurate and complete English translation. The petitioner shall state the post-office address in the United... following form: _________ (Date) Name of petitioner Post-office address Name of color additive and proposed... petition shall contain a description of the chemical and physical tests relied upon to identify the color...

21 CFR 71.1 - Petitions.

Code of Federal Regulations, 2014 CFR

2014-04-01

... accurate and complete English translation. The petitioner shall state the post-office address in the United... following form: _________ (Date) Name of petitioner Post-office address Name of color additive and proposed... petition shall contain a description of the chemical and physical tests relied upon to identify the color...

21 CFR 71.1 - Petitions.

Code of Federal Regulations, 2012 CFR

2012-04-01

... accurate and complete English translation. The petitioner shall state the post-office address in the United... following form: _________ (Date) Name of petitioner Post-office address Name of color additive and proposed... petition shall contain a description of the chemical and physical tests relied upon to identify the color...

21 CFR 71.1 - Petitions.

Code of Federal Regulations, 2011 CFR

2011-04-01

... accurate and complete English translation. The petitioner shall state the post-office address in the United... following form: _________ (Date) Name of petitioner Post-office address Name of color additive and proposed... petition shall contain a description of the chemical and physical tests relied upon to identify the color...

On theory in ecology: Another perspective

USGS Publications Warehouse

Houlahan, Jeff E.; McKinney, Shawn T.; Rochette, Rémy

2015-01-01

We agree with Marquet and colleagues (2014) that the balance between theory and data is an important one. However, their description of what constitutes good theory in ecology ignores the most important characteristic of successful theory—that it accurately and precisely describes the way the world works.

Kinetics of Fast Atoms in the Terrestrial Atmosphere

NASA Technical Reports Server (NTRS)

Kharchenko, Vasili A.; Dalgarno, A.; Mellott, Mary (Technical Monitor)

2002-01-01

This report summarizes our investigations performed under NASA Grant NAG5-8058. The three-year research supported by the Geospace Sciences SR&T program (Ionospheric, Thermospheric, and Mesospheric Physics) has been designed to investigate fluxes of energetic oxygen and nitrogen atoms in the terrestrial thermosphere. Fast atoms are produced due to absorption of the solar radiation and due to coupling between the ionosphere and the neutral thermospheric gas. We have investigated the impact of hot oxygen and nitrogen atoms on the thermal balance, chemistry and radiation properties of the terrestrial thermosphere. Our calculations have been focused on the accurate quantitative description of the thermalization of O and N energetic atoms in collisions with atom and molecules of the ambient neutral gas. Upward fluxes of oxygen and nitrogen atoms, the rate of atmospheric heating by hot oxygen atoms, and the energy input into translational and rotational-vibrational degrees of atmospheric molecules have been evaluated. Altitude profiles of hot oxygen and nitrogen atoms have been analyzed and compared with available observational data. Energetic oxygen atoms in the terrestrial atmosphere have been investigated for decades, but insufficient information on the kinetics of fast atmospheric atoms has been a main obstacle for the interpretation of observational data and modeling of the hot geocorona. The recent development of accurate computational methods of the collisional kinetics is seen as an important step in the quantitative description of hot atoms in the thermosphere. Modeling of relaxation processes in the terrestrial atmosphere has incorporated data of recent observations, and theoretical predictions have been tested by new laboratory measurements.

The attentional drift-diffusion model extends to simple purchasing decisions.

PubMed

Krajbich, Ian; Lu, Dingchao; Camerer, Colin; Rangel, Antonio

2012-01-01

How do we make simple purchasing decisions (e.g., whether or not to buy a product at a given price)? Previous work has shown that the attentional drift-diffusion model (aDDM) can provide accurate quantitative descriptions of the psychometric data for binary and trinary value-based choices, and of how the choice process is guided by visual attention. Here we extend the aDDM to the case of purchasing decisions, and test it using an eye-tracking experiment. We find that the model also provides a reasonably accurate quantitative description of the relationship between choice, reaction time, and visual fixations using parameters that are very similar to those that best fit the previous data. The only critical difference is that the choice biases induced by the fixations are about half as big in purchasing decisions as in binary choices. This suggests that a similar computational process is used to make binary choices, trinary choices, and simple purchasing decisions.

How to Best Name a Place? Facilitation and Inhibition of Route Learning Due to Descriptive and Arbitrary Location Labels.

PubMed

Meilinger, Tobias; Schulte-Pelkum, Jörg; Frankenstein, Julia; Hardiess, Gregor; Laharnar, Naima; Mallot, Hanspeter A; Bülthoff, Heinrich H

2016-01-01

Establishing verbal memory traces for non-verbal stimuli was reported to facilitate or inhibit memory for the non-verbal stimuli. We show that these effects are also observed in a domain not indicated before-wayfinding. Fifty-three participants followed a guided route in a virtual environment. They were asked to remember half of the intersections by relying on the visual impression only. At the other 50% of the intersections, participants additionally heard a place name, which they were asked to memorize. For testing, participants were teleported to the intersections and were asked to indicate the subsequent direction of the learned route. In Experiment 1, intersections' names were arbitrary (i.e., not related to the visual impression). Here, participants performed more accurately at unnamed intersections. In Experiment 2, intersections' names were descriptive and participants' route memory was more accurate at named intersections. Results have implications for naming places in a city and for wayfinding aids.

How to Best Name a Place? Facilitation and Inhibition of Route Learning Due to Descriptive and Arbitrary Location Labels

PubMed Central

Meilinger, Tobias; Schulte-Pelkum, Jörg; Frankenstein, Julia; Hardiess, Gregor; Laharnar, Naima; Mallot, Hanspeter A.; Bülthoff, Heinrich H.

2016-01-01

Establishing verbal memory traces for non-verbal stimuli was reported to facilitate or inhibit memory for the non-verbal stimuli. We show that these effects are also observed in a domain not indicated before—wayfinding. Fifty-three participants followed a guided route in a virtual environment. They were asked to remember half of the intersections by relying on the visual impression only. At the other 50% of the intersections, participants additionally heard a place name, which they were asked to memorize. For testing, participants were teleported to the intersections and were asked to indicate the subsequent direction of the learned route. In Experiment 1, intersections' names were arbitrary (i.e., not related to the visual impression). Here, participants performed more accurately at unnamed intersections. In Experiment 2, intersections' names were descriptive and participants' route memory was more accurate at named intersections. Results have implications for naming places in a city and for wayfinding aids. PMID:26869975

Transport properties of initially neutral gas disturbed by intense electron beam

NASA Astrophysics Data System (ADS)

Angus, Justin; Swanekamp, Steve; Schumer, Joseph; Mosher, Dave; Ottinger, Paul

2013-10-01

The behavior of intense electron beams (those with current densities on the order of hundreds of kA/cm2 and beam rise times on the order of 100 ns) traveling through gaseous mediums depends strongly on the transport properties of the medium. For example, the conductivity of the medium, which is very sensitive to the ionization state and temperature of the gas, has a strong influence on the beam behavior through the plasma return current. Since the beam is responsible for ionizing and heating the gas, self-consistently solving for the gas transport properties and the beam propagation is essential for an accurate description of the system. An advanced gas chemistry model to describe the transport properties of a strongly disturbed gaseous system is presented in this work. A focal point of this work is an accurate description of the medium's conductivity as the gas progresses from its weakly ionized state, where swarm models are valid, to a strongly ionized state where the Spitzer-Harm model applies. NRL Karle Fellowship

The 7th lung cancer TNM classification and staging system: Review of the changes and implications.

PubMed

Mirsadraee, Saeed; Oswal, Dilip; Alizadeh, Yalda; Caulo, Andrea; van Beek, Edwin

2012-04-28

Lung cancer is the most common cause of death from cancer in males, accounting for more than 1.4 million deaths in 2008. It is a growing concern in China, Asia and Africa as well. Accurate staging of the disease is an important part of the management as it provides estimation of patient's prognosis and identifies treatment sterategies. It also helps to build a database for future staging projects. A major revision of lung cancer staging has been announced with effect from January 2010. The new classification is based on a larger surgical and non-surgical cohort of patients, and thus more accurate in terms of outcome prediction compared to the previous classification. There are several original papers regarding this new classification which give comprehensive description of the methodology, the changes in the staging and the statistical analysis. This overview is a simplified description of the changes in the new classification and their potential impact on patients' treatment and prognosis.

The Attentional Drift-Diffusion Model Extends to Simple Purchasing Decisions

PubMed Central

Krajbich, Ian; Lu, Dingchao; Camerer, Colin; Rangel, Antonio

2012-01-01

How do we make simple purchasing decisions (e.g., whether or not to buy a product at a given price)? Previous work has shown that the attentional drift-diffusion model (aDDM) can provide accurate quantitative descriptions of the psychometric data for binary and trinary value-based choices, and of how the choice process is guided by visual attention. Here we extend the aDDM to the case of purchasing decisions, and test it using an eye-tracking experiment. We find that the model also provides a reasonably accurate quantitative description of the relationship between choice, reaction time, and visual fixations using parameters that are very similar to those that best fit the previous data. The only critical difference is that the choice biases induced by the fixations are about half as big in purchasing decisions as in binary choices. This suggests that a similar computational process is used to make binary choices, trinary choices, and simple purchasing decisions. PMID:22707945

On the onset of void swelling in pure tungsten under neutron irradiation: An object kinetic Monte Carlo approach

NASA Astrophysics Data System (ADS)

Castin, N.; Bakaev, A.; Bonny, G.; Sand, A. E.; Malerba, L.; Terentyev, D.

2017-09-01

We propose an object kinetic Monte Carlo (OKMC) model for describing the microstructural evolution in pure tungsten under neutron irradiation. We here focus on low doses (under 1 dpa), and we neglect transmutation in first approximation. The emphasis is mainly centred on an adequate description of neutron irradiation, the subsequent introduction of primary defects, and their thermal diffusion properties. Besides grain boundaries and the dislocation network, our model includes the contribution of carbon impurities, which are shown to have a strong influence on the onset of void swelling. Our parametric study analyses the quality of our model in detail, and confronts its predictions with experimental microstructural observations with satisfactory agreement. We highlight the importance for an accurate determination of the dissolved carbon content in the tungsten matrix, and we advocate for an accurate description of atomic collision cascades, in light of the sensitivity of our results with respect to correlated recombination.

VizieR Online Data Catalog: Effective collision strengths of Si VII (Sossah+, 2014)

NASA Astrophysics Data System (ADS)

Sossah, A. M.; Tayal, S. S.

2017-08-01

The purpose of present work is to calculate more accurate data for Si VII by using highly accurate target descriptions and by including a sufficient number of target states in the close-coupling expansion. We also included fine-structure effects in the close-coupling expansions to account for the relativistic effects. We used the B-spline Breit-Pauli R-matrix (BSR) codes (Zatsarinny 2006CoPhC.174..273Z) in our scattering calculations. The present method utilizes the term-dependent non-orthogonal orbital sets for the description of the target wave functions and scattering functions. The collisional and radiative parameters have been calculated for all forbidden and allowed transitions between the lowest 92 LSJ levels of 2s22p4, 2s2p5, 2p6, 2s22p33s, 2s22p33p, 2s22p33d, and 2s2p43s configurations of Si VII. (3 data files).

Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator

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

Lefrancois, Daniel; Dreuw, Andreas, E-mail: dreuw@uni-heidelberg.de; Rehn, Dirk R.

For the calculation of adiabatic singlet-triplet gaps (STG) in diradicaloid systems the spin-flip (SF) variant of the algebraic diagrammatic construction (ADC) scheme for the polarization propagator in third order perturbation theory (SF-ADC(3)) has been applied. Due to the methodology of the SF approach the singlet and triplet states are treated on an equal footing since they are part of the same determinant subspace. This leads to a systematically more accurate description of, e.g., diradicaloid systems than with the corresponding non-SF single-reference methods. Furthermore, using analytical excited state gradients at ADC(3) level, geometry optimizations of the singlet and triplet states weremore » performed leading to a fully consistent description of the systems, leading to only small errors in the calculated STGs ranging between 0.6 and 2.4 kcal/mol with respect to experimental references.« less

Sequencing sit-to-stand and upright posture for mobility limitation assessment: determination of the timing of the task phases from force platform data.

PubMed

Mazzà, Claudia; Zok, Mounir; Della Croce, Ugo

2005-06-01

The identification of quantitative tools to assess an individual's mobility limitation is a complex and challenging task. Several motor tasks have been designated as potential indicators of mobility limitation. In this study, a multiple motor task obtained by sequencing sit-to-stand and upright posture was used. Algorithms based on data obtained exclusively from a single force platform were developed to detect the timing of the motor task phases (sit-to-stand, preparation to the upright posture and upright posture). To test these algorithms, an experimental protocol inducing predictable changes in the acquired signals was designed. Twenty-two young, able-bodied subjects performed the task in four different conditions: self-selected natural and high speed with feet kept together, and self-selected natural and high speed with feet pelvis-width apart. The proposed algorithms effectively detected the timing of the task phases, the duration of which was sensitive to the four different experimental conditions. As expected, the duration of the sit-to-stand was sensitive to the speed of the task and not to the foot position, while the duration of the preparation to the upright posture was sensitive to foot position but not to speed. In addition to providing a simple and effective description of the execution of the motor task, the correct timing of the studied multiple task could facilitate the accurate determination of variables descriptive of the single isolated phases, allowing for a more thorough description of the motor task and therefore could contribute to the development of effective quantitative functional evaluation tests.

Quantifying and predicting Drosophila larvae crawling phenotypes

NASA Astrophysics Data System (ADS)

Günther, Maximilian N.; Nettesheim, Guilherme; Shubeita, George T.

2016-06-01

The fruit fly Drosophila melanogaster is a widely used model for cell biology, development, disease, and neuroscience. The fly’s power as a genetic model for disease and neuroscience can be augmented by a quantitative description of its behavior. Here we show that we can accurately account for the complex and unique crawling patterns exhibited by individual Drosophila larvae using a small set of four parameters obtained from the trajectories of a few crawling larvae. The values of these parameters change for larvae from different genetic mutants, as we demonstrate for fly models of Alzheimer’s disease and the Fragile X syndrome, allowing applications such as genetic or drug screens. Using the quantitative model of larval crawling developed here we use the mutant-specific parameters to robustly simulate larval crawling, which allows estimating the feasibility of laborious experimental assays and aids in their design.

South Florida Everglades: satellite image map

USGS Publications Warehouse

Jones, John W.; Thomas, Jean-Claude; Desmond, G.B.

2001-01-01

These satellite image maps are one product of the USGS Land Characteristics from Remote Sensing project, funded through the USGS Place-Based Studies Program (http://access.usgs.gov/) with support from the Everglades National Park (http://www.nps.gov/ever/). The objective of this project is to develop and apply innovative remote sensing and geographic information system techniques to map the distribution of vegetation, vegetation characteristics, and related hydrologic variables through space and over time. The mapping and description of vegetation characteristics and their variations are necessary to accurately simulate surface hydrology and other surface processes in South Florida and to monitor land surface changes. As part of this research, data from many airborne and satellite imaging systems have been georeferenced and processed to facilitate data fusion and analysis. These image maps were created using image fusion techniques developed as part of this project.

Measurement of breast volume using body scan technology(computer-aided anthropometry).

PubMed

Veitch, Daisy; Burford, Karen; Dench, Phil; Dean, Nicola; Griffin, Philip

2012-01-01

Assessment of breast volume is an important tool for preoperative planning in various breast surgeries and other applications, such as bra development. Accurate assessment can improve the consistency and quality of surgery outcomes. This study outlines a non-invasive method to measure breast volume using a whole body 3D laser surface anatomy scanner, the Cyberware WBX. It expands on a previous publication where this method was validated against patients undergoing mastectomy. It specifically outlines and expands the computer-aided anthropometric (CAA) method for extracting breast volumes in a non-invasive way from patients enrolled in a breast reduction study at Flinders Medical Centre, South Australia. This step-by-step description allows others to replicate this work and provides an additional tool to assist them in their own clinical practice and development of designs.

Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description.

PubMed

Spyrakis, Francesca; Cavasotto, Claudio N

2015-10-01

Structure-based virtual screening is currently an established tool in drug lead discovery projects. Although in the last years the field saw an impressive progress in terms of algorithm development, computational performance, and retrospective and prospective applications in ligand identification, there are still long-standing challenges where further improvement is needed. In this review, we consider the conceptual frame, state-of-the-art and recent developments of three critical "structural" issues in structure-based drug lead discovery: the use of homology modeling to accurately model the binding site when no experimental structures are available, the necessity of accounting for the dynamics of intrinsically flexible systems as proteins, and the importance of considering active site water molecules in lead identification and optimization campaigns. Copyright © 2015 Elsevier Inc. All rights reserved.

Parameterized Cross Sections for Pion Production in Proton-Proton Collisions

NASA Technical Reports Server (NTRS)

Blattnig, Steve R.; Swaminathan, Sudha R.; Kruger, Adam T.; Ngom, Moussa; Norbury, John W.; Tripathi, R. K.

2000-01-01

An accurate knowledge of cross sections for pion production in proton-proton collisions finds wide application in particle physics, astrophysics, cosmic ray physics, and space radiation problems, especially in situations where an incident proton is transported through some medium and knowledge of the output particle spectrum is required when given the input spectrum. In these cases, accurate parameterizations of the cross sections are desired. In this paper much of the experimental data are reviewed and compared with a wide variety of different cross section parameterizations. Therefore, parameterizations of neutral and charged pion cross sections are provided that give a very accurate description of the experimental data. Lorentz invariant differential cross sections, spectral distributions, and total cross section parameterizations are presented.

A Computational Clonal Analysis of the Developing Mouse Limb Bud

PubMed Central

Marcon, Luciano; Arqués, Carlos G.; Torres, Miguel S.; Sharpe, James

2011-01-01

A comprehensive spatio-temporal description of the tissue movements underlying organogenesis would be an extremely useful resource to developmental biology. Clonal analysis and fate mappings are popular experiments to study tissue movement during morphogenesis. Such experiments allow cell populations to be labeled at an early stage of development and to follow their spatial evolution over time. However, disentangling the cumulative effects of the multiple events responsible for the expansion of the labeled cell population is not always straightforward. To overcome this problem, we develop a novel computational method that combines accurate quantification of 2D limb bud morphologies and growth modeling to analyze mouse clonal data of early limb development. Firstly, we explore various tissue movements that match experimental limb bud shape changes. Secondly, by comparing computational clones with newly generated mouse clonal data we are able to choose and characterize the tissue movement map that better matches experimental data. Our computational analysis produces for the first time a two dimensional model of limb growth based on experimental data that can be used to better characterize limb tissue movement in space and time. The model shows that the distribution and shapes of clones can be described as a combination of anisotropic growth with isotropic cell mixing, without the need for lineage compartmentalization along the AP and PD axis. Lastly, we show that this comprehensive description can be used to reassess spatio-temporal gene regulations taking tissue movement into account and to investigate PD patterning hypothesis. PMID:21347315

Development and Application of Predictive Tools for MHD Stability Limits in Tokamaks

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

Brennan, Dylan; Miller, G. P.

This is a project to develop and apply analytic and computational tools to answer physics questions relevant to the onset of non-ideal magnetohydrodynamic (MHD) instabilities in toroidal magnetic confinement plasmas. The focused goal of the research is to develop predictive tools for these instabilities, including an inner layer solution algorithm, a resistive wall with control coils, and energetic particle effects. The production phase compares studies of instabilities in such systems using analytic techniques, PEST- III and NIMROD. Two important physics puzzles are targeted as guiding thrusts for the analyses. The first is to form an accurate description of the physicsmore » determining whether the resistive wall mode or a tearing mode will appear first as β is increased at low rotation and low error fields in DIII-D. The second is to understand the physical mechanism behind recent NIMROD results indicating strong damping and stabilization from energetic particle effects on linear resistive modes. The work seeks to develop a highly relevant predictive tool for ITER, advance the theoretical description of this physics in general, and analyze these instabilities in experiments such as ASDEX Upgrade, DIII-D, JET, JT-60U and NTSX. The awardee on this grant is the University of Tulsa. The research efforts are supervised principally by Dr. Brennan. Support is included for two graduate students, and a strong collaboration with Dr. John M. Finn of LANL. The work includes several ongoing collaborations with General Atomics, PPPL, and the NIMROD team, among others.« less

Three-dimensional effects in nonlinear fracture explored with interferometry

NASA Astrophysics Data System (ADS)

Pfaff, Richard D.

The prospects for understanding fracture mechanics in terms of a general material constitutive description are explored. The effort consists of three distinct components.First, optical interferometry, in its various forms (Twyman-Green, diffraction moire, etc.), can potentially be used under a wide range of conditions to very accurately measure the displacement and strain fields associated with the deformation surrounding a cracktip. To broaden the range of fracture problems to which interferometry may be applied, certain of the necessary experimental improvements have been developed:1. High speed camera designs capable of extremely high (> 10(9) frames/second) framing rates with large array sizes, (> 4000 x 4000 pixels per frame) so that the application of optical techniques to solid mechanics may be considered without limitation on the rate of deformation.2. An accurate and adaptable device for dynamic loading of fracture specimens to high load levels utilizing electromagnetic (Lorentz force) loading with ultrahigh (> 2,000,000 Amp/cm(2)) current flux densities.3. Implementation of high sensitivity (2 nm), large range (2 nm x 3,200,000) interferometry achieved with wide field array sizes of 50,000 x 50,000 and 8 bit gray scale (error restricted to 1 bit) for surface deformation measurements on fracture specimens.Second, functional descriptions for certain aspects of the displacement fields associated with fracture specimens are developed. It is found that the fully three-dimensional crack tip field surrounding a through-thickness crack in a plate of elastic-plastic material shows a hierarchical structure of organization and that the primary aspects of the deformation field would seem to have a relatively simple form of expression if the deformation is viewed in a properly normalized form.Third, a comparison is made between interferometrically measured surface displacements for a notched 3-point-bend speciemn of a ductile heat treatment of 4340 steel and a numerical simulation of the specimen based on a material constitutive description determined from uniaxial tests performed on the same material. The small but finite notch tip radius (0.15 mm) fabricated by a wire-cutting electrical discharge machine allows one to explore the limits of applicability of standard continuum plasticity theories without involving a process zone model for the very near tip region extent in a cracked specimen geometry.

Accuracy of ab initio electron correlation and electron densities in vanadium dioxide

DOE PAGES

Kylänpää, Ilkka; Balachandran, Janakiraman; Ganesh, Panchapakesan; ...

2017-11-27

Here, diffusion quantum Monte Carlo results are used as a reference to analyze properties related to phase stability and magnetism in vanadium dioxide computed with various formulations of density functional theory. We introduce metrics related to energetics, electron densities and spin densities that give us insight on both local and global variations in the antiferromagnetic M1 and R phases. Importantly, these metrics can address contributions arising from the challenging description of the 3d orbital physics in this material. We observe that the best description of energetics between the structural phases does not correspond to the best accuracy in the charge density, which is consistent with observations made recently by Medvedev et~al. in the context of isolated atoms. However, we do find evidence that an accurate spin density connects to correct energetic ordering of different magnetic states in VOmore » $$_2$$, although local, semilocal, and meta-GGA functionals tend to erroneously favor demagnetization of the vanadium sites. The recently developed SCAN functional stands out as remaining nearly balanced in terms of magnetization across the M1-R transition and correctly predicting the ground state crystal structure. In addition to ranking current density functionals, our reference energies and densities serve as important benchmarks for future functional development.« less

Methods for investigating the local spatial anisotropy and the preferred orientation of cones in adaptive optics retinal images

PubMed Central

Cooper, Robert F.; Lombardo, Marco; Carroll, Joseph; Sloan, Kenneth R.; Lombardo, Giuseppe

2016-01-01

The ability to non-invasively image the cone photoreceptor mosaic holds significant potential as a diagnostic for retinal disease. Central to the realization of this potential is the development of sensitive metrics for characterizing the organization of the mosaic. Here we evaluated previously-described (Pum et al., 1990) and newly-developed (Fourier- and Radon-based) methods of measuring cone orientation in both simulated and real images of the parafoveal cone mosaic. The proposed algorithms correlated well across both simulated and real mosaics, suggesting that each algorithm would provide an accurate description of individual photoreceptor orientation. Despite the high agreement between algorithms, each performed differently in response to image intensity variation and cone coordinate jitter. The integration property of the Fourier transform allowed the Fourier-based method to be resistant to cone coordinate jitter and perform the most robustly of all three algorithms. Conversely, when there is good image quality but unreliable cone identification, the Radon algorithm performed best. Finally, in cases where both the image and cone coordinate reliability was excellent, the method of Pum et al. (1990) performed best. These descriptors are complementary to conventional descriptive metrics of the cone mosaic, such as cell density and spacing, and have the potential to aid in the detection of photoreceptor pathology. PMID:27484961

Ab initio description of continuum effects in A=11 exotic systems with chiral NN+3N forces

NASA Astrophysics Data System (ADS)

Calci, Angelo; Navratil, Petr; Roth, Robert; Dohet-Eraly, Jeremy; Quaglioni, Sofia; Hupin, Guillaume

2016-09-01

Based on the fundamental symmetries of QCD, chiral effective field theory (EFT) provides two- (NN), three- (3N) and many-nucleon interactions in a consistent and systematically improvable scheme. The rapid developments to construct divers families of chiral NN+3N interactions and the conceptual and technical improvements of ab initio many-body approaches pose a great opportunity for nuclear physics. By studying particular interesting phenomena in nuclear structure and reaction observables one can discriminate between different forces and study the predictive power of chiral EFT. The accurate description of the 11Be nucleus, in particular, the ground-state parity inversion and exceptionally strong E1 transition between its two bound states constitute an enormous challenge for the developments of nuclear forces and many-body approaches. We present a sensitivity analysis of structure and reaction observables to different NN+3N interactions in 11Be and n+10Be as well as the mirror p+10C scattering using the ab initio NCSM with continuum (NCSMC). Supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Work Proposal No. SCW1158. TRIUMF receives federal funding via a contribution agreement with the National Research Council of Canada.

Microscopic description of fission dynamics: Toward a 3D computation of the time dependent GCM equation

NASA Astrophysics Data System (ADS)

Regnier, D.; Dubray, N.; Schunck, N.; Verrière, M.

2017-09-01

Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r-process to fuel cycle optimization in nuclear energy. The need for a predictive theory applicable where no data is available, together with the variety of potential applications, is an incentive to develop a fully microscopic approach to fission dynamics. One of the most promising theoretical frameworks is the time dependent generator coordinate method (TDGCM) applied under the Gaussian overlap approximation (GOA). However, the computational cost of this method makes it difficult to perform calculations with more than two collective degree of freedom. Meanwhile, it is well-known from both semi-phenomenological and fully microscopic approaches that at least four or five dimensions may play a role in the dynamics of fission. To overcome this limitation, we develop the code FELIX aiming to solve the TDGCM+GOA equation for an arbitrary number of collective variables. In this talk, we report the recent progress toward this enriched description of fission dynamics. We will briefly present the numerical methods adopted as well as the status of the latest version of FELIX. Finally, we will discuss fragments yields obtained within this approach for the low energy fission of major actinides.

Accuracy of ab initio electron correlation and electron densities in vanadium dioxide

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

Kylänpää, Ilkka; Balachandran, Janakiraman; Ganesh, Panchapakesan

Here, diffusion quantum Monte Carlo results are used as a reference to analyze properties related to phase stability and magnetism in vanadium dioxide computed with various formulations of density functional theory. We introduce metrics related to energetics, electron densities and spin densities that give us insight on both local and global variations in the antiferromagnetic M1 and R phases. Importantly, these metrics can address contributions arising from the challenging description of the 3d orbital physics in this material. We observe that the best description of energetics between the structural phases does not correspond to the best accuracy in the charge density, which is consistent with observations made recently by Medvedev et~al. in the context of isolated atoms. However, we do find evidence that an accurate spin density connects to correct energetic ordering of different magnetic states in VOmore » $$_2$$, although local, semilocal, and meta-GGA functionals tend to erroneously favor demagnetization of the vanadium sites. The recently developed SCAN functional stands out as remaining nearly balanced in terms of magnetization across the M1-R transition and correctly predicting the ground state crystal structure. In addition to ranking current density functionals, our reference energies and densities serve as important benchmarks for future functional development.« less

Role of nuclear reactions on stellar evolution of intermediate-mass stars

NASA Astrophysics Data System (ADS)

Möller, H.; Jones, S.; Fischer, T.; Martínez-Pinedo, G.

2018-01-01

The evolution of intermediate-mass stars (8 - 12 solar masses) represents one of the most challenging subjects in nuclear astrophysics. Their final fate is highly uncertain and strongly model dependent. They can become white dwarfs, they can undergo electron-capture or core-collapse supernovae or they might even proceed towards explosive oxygen burning and a subsequent thermonuclear explosion. We believe that an accurate description of nuclear reactions is crucial for the determination of the pre-supernova structure of these stars. We argue that due to the possible development of an oxygen-deflagration, a hydrodynamic description has to be used. We implement a nuclear reaction network with ∼200 nuclear species into the implicit hydrodynamic code AGILE. The reaction network considers all relevant nuclear electron captures and beta-decays. For selected relevant nuclear species, we include a set of updated reaction rates, for which we discuss the role for the evolution of the stellar core, at the example of selected stellar models. We find that the final fate of these intermediate-mass stars depends sensitively on the density threshold for weak processes that deleptonize the core.

Probabilistic Approach to Enable Extreme-Scale Simulations under Uncertainty and System Faults. Final Technical Report

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

Knio, Omar

2017-05-05

The current project develops a novel approach that uses a probabilistic description to capture the current state of knowledge about the computational solution. To effectively spread the computational effort over multiple nodes, the global computational domain is split into many subdomains. Computational uncertainty in the solution translates into uncertain boundary conditions for the equation system to be solved on those subdomains, and many independent, concurrent subdomain simulations are used to account for this bound- ary condition uncertainty. By relying on the fact that solutions on neighboring subdomains must agree with each other, a more accurate estimate for the global solutionmore » can be achieved. Statistical approaches in this update process make it possible to account for the effect of system faults in the probabilistic description of the computational solution, and the associated uncertainty is reduced through successive iterations. By combining all of these elements, the probabilistic reformulation allows splitting the computational work over very many independent tasks for good scalability, while being robust to system faults.« less

[Changes for rheumatology in the G-DRG system 2005].

PubMed

Fiori, W; Roeder, N; Lakomek, H-J; Liman, W; Köneke, N; Hülsemann, J L; Lehmann, H; Wenke, A

2005-02-01

The German prospective payment system G-DRG has been recently adapted and recalculated. Apart from the adjustments of the G-DRG classification system itself changes in the legal framework like the extension of the "convergence period" or the limitation of budget loss due to DRG introduction have to be considered. Especially the introduction of new procedure codes (OPS) describing the specialized and complex rheumatologic treatment of inpatients might be of significant importance. Even though these procedures will not yet develop influence on the grouping process in 2005, it will enable a more accurate description of the efforts of acute-rheumatologic treatment which can be used for further adaptations of the DRG algorithm. Numerous newly introduced additive payment components (ZE) result in a more adequate description of the "DRG-products". Although not increasing the individual hospital budget, these additive payments contribute to more transparency of high cost services and can be addressed separately from the DRG-budget. Furthermore a lot of other relevant changes to the G-DRG catalogue, the classification systems ICD-10-GM and OPS-301 and the German Coding Standards (DKR) are presented.

Effects of Kinetic Processes in Shaping Io's Global Plasma Environment: A 3D Hybrid Model

NASA Technical Reports Server (NTRS)

Lipatov, Alexander S.; Combi, Michael R.

2004-01-01

The global dynamics of the ionized and neutral components in the environment of Io plays an important role in the interaction of Jupiter's corotating magnetospheric plasma with Io. The stationary simulation of this problem was done in the MHD and the electrodynamics approaches. One of the main significant results from the simplified two-fluid model simulations was a production of the structure of the double-peak in the magnetic field signature of the I0 flyby that could not be explained by standard MHD models. In this paper, we develop a method of kinetic ion simulation. This method employs the fluid description for electrons and neutrals whereas for ions multilevel, drift-kinetic and particle, approaches are used. We also take into account charge-exchange and photoionization processes. Our model provides much more accurate description for ion dynamics and allows us to take into account the realistic anisotropic ion distribution that cannot be done in fluid simulations. The first results of such simulation of the dynamics of ions in the Io's environment are discussed in this paper.

Descriptive Drinking Norms: For Whom Does Reference Group Matter?*

PubMed Central

Larimer, Mary E.; Neighbors, Clayton; LaBrie, Joseph W.; Atkins, David C.; Lewis, Melissa A.; Lee, Christine M.; Kilmer, Jason R.; Kaysen, Debra L.; Pedersen, Eric r.; Montoya, Heidi; Hodge, Kimberley; Desai, Sruti; Hummer, Justin F.; Walter, Theresa

2011-01-01

Objective: Perceived descriptive drinking norms often differ from actual norms and are positively related to personal consumption. However, it is not clear how normative perceptions vary with specificity of the reference group. Are drinking norms more accurate and more closely related to drinking behavior as reference group specificity increases? Do these relationships vary as a function of participant demographics? The present study examined the relationship between perceived descriptive norms and drinking behavior by ethnicity (Asian or White), sex, and fraternity/sorority status. Method: Participants were 2,699 (58% female) White (75%) or Asian (25%) undergraduates from two universities who reported their own alcohol use and perceived descriptive norms for eight reference groups: "typical student"; same sex, ethnicity, or fraternity/sorority status; and all combinations of these three factors. Results: Participants generally reported the highest perceived norms for the most distal reference group (typical student), with perceptions becoming more accurate as individuals' similarity to the reference group increased. Despite increased accuracy, participants perceived that all reference groups drank more than was actually the case. Across specific subgroups (fraternity/sorority members and men) different patterns emerged. Fraternity/sorority members reliably reported higher estimates of drinking for reference groups that included fraternity/ sorority status, and, to a lesser extent, men reported higher estimates for reference groups that included men. Conclusions: The results suggest that interventions targeting normative misperceptions may need to provide feedback based on participant demography or group membership. Although reference group-specific feedback may be important for some subgroups, typical student feedback provides the largest normative discrepancy for the majority of students. PMID:21906510

Knowledge-based personalized search engine for the Web-based Human Musculoskeletal System Resources (HMSR) in biomechanics.

PubMed

Dao, Tien Tuan; Hoang, Tuan Nha; Ta, Xuan Hien; Tho, Marie Christine Ho Ba

2013-02-01

Human musculoskeletal system resources of the human body are valuable for the learning and medical purposes. Internet-based information from conventional search engines such as Google or Yahoo cannot response to the need of useful, accurate, reliable and good-quality human musculoskeletal resources related to medical processes, pathological knowledge and practical expertise. In this present work, an advanced knowledge-based personalized search engine was developed. Our search engine was based on a client-server multi-layer multi-agent architecture and the principle of semantic web services to acquire dynamically accurate and reliable HMSR information by a semantic processing and visualization approach. A security-enhanced mechanism was applied to protect the medical information. A multi-agent crawler was implemented to develop a content-based database of HMSR information. A new semantic-based PageRank score with related mathematical formulas were also defined and implemented. As the results, semantic web service descriptions were presented in OWL, WSDL and OWL-S formats. Operational scenarios with related web-based interfaces for personal computers and mobile devices were presented and analyzed. Functional comparison between our knowledge-based search engine, a conventional search engine and a semantic search engine showed the originality and the robustness of our knowledge-based personalized search engine. In fact, our knowledge-based personalized search engine allows different users such as orthopedic patient and experts or healthcare system managers or medical students to access remotely into useful, accurate, reliable and good-quality HMSR information for their learning and medical purposes. Copyright © 2012 Elsevier Inc. All rights reserved.

CAD-based Automatic Modeling Method for Geant4 geometry model Through MCAM

NASA Astrophysics Data System (ADS)

Wang, Dong; Nie, Fanzhi; Wang, Guozhong; Long, Pengcheng; LV, Zhongliang; LV, Zhongliang

2014-06-01

Geant4 is a widely used Monte Carlo transport simulation package. Before calculating using Geant4, the calculation model need be established which could be described by using Geometry Description Markup Language (GDML) or C++ language. However, it is time-consuming and error-prone to manually describe the models by GDML. Automatic modeling methods have been developed recently, but there are some problem existed in most of present modeling programs, specially some of them were not accurate or adapted to specifically CAD format. To convert the GDML format models to CAD format accurately, a Geant4 Computer Aided Design (CAD) based modeling method was developed for automatically converting complex CAD geometry model into GDML geometry model. The essence of this method was dealing with CAD model represented with boundary representation (B-REP) and GDML model represented with constructive solid geometry (CSG). At first, CAD model was decomposed to several simple solids which had only one close shell. And then the simple solid was decomposed to convex shell set. Then corresponding GDML convex basic solids were generated by the boundary surfaces getting from the topological characteristic of a convex shell. After the generation of these solids, GDML model was accomplished with series boolean operations. This method was adopted in CAD/Image-based Automatic Modeling Program for Neutronics & Radiation Transport (MCAM), and tested with several models including the examples in Geant4 install package. The results showed that this method could convert standard CAD model accurately, and can be used for Geant4 automatic modeling.

38 CFR 4.1 - Essentials of evaluative rating.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Essentials of evaluative... FOR RATING DISABILITIES General Policy in Rating § 4.1 Essentials of evaluative rating. This rating... application of this schedule, accurate and fully descriptive medical examinations are required, with emphasis...

38 CFR 4.1 - Essentials of evaluative rating.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Essentials of evaluative... FOR RATING DISABILITIES General Policy in Rating § 4.1 Essentials of evaluative rating. This rating... application of this schedule, accurate and fully descriptive medical examinations are required, with emphasis...

38 CFR 4.1 - Essentials of evaluative rating.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Essentials of evaluative... FOR RATING DISABILITIES General Policy in Rating § 4.1 Essentials of evaluative rating. This rating... application of this schedule, accurate and fully descriptive medical examinations are required, with emphasis...

38 CFR 4.1 - Essentials of evaluative rating.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Essentials of evaluative... FOR RATING DISABILITIES General Policy in Rating § 4.1 Essentials of evaluative rating. This rating... application of this schedule, accurate and fully descriptive medical examinations are required, with emphasis...

38 CFR 4.1 - Essentials of evaluative rating.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Essentials of evaluative... FOR RATING DISABILITIES General Policy in Rating § 4.1 Essentials of evaluative rating. This rating... application of this schedule, accurate and fully descriptive medical examinations are required, with emphasis...

49 CFR Attachment 1 to Part 520 - Form and Content of Statement

Code of Federal Regulations, 2012 CFR

2012-10-01

... (planning, feasibility, design, etc.). In order to insure accurate descriptions and environmental... construction; alternatives related to different locations or designs or details of the proposed action which... detailed to reveal comparative evaluation of the environmental benefits, costs, and risks of the proposed...

49 CFR Attachment 1 to Part 520 - Form and Content of Statement

Code of Federal Regulations, 2014 CFR

2014-10-01

... (planning, feasibility, design, etc.). In order to insure accurate descriptions and environmental... construction; alternatives related to different locations or designs or details of the proposed action which... detailed to reveal comparative evaluation of the environmental benefits, costs, and risks of the proposed...

49 CFR 520.34 - Comments on environmental statements prepared by other agencies.

Code of Federal Regulations, 2011 CFR

2011-10-01

... (planning, feasibility, design, etc.). In order to insure accurate descriptions and environmental... construction; alternatives related to different locations or designs or details of the proposed action which... detailed to reveal comparative evaluation of the environmental benefits, costs, and risks of the proposed...

49 CFR Attachment 1 to Part 520 - Form and Content of Statement

Code of Federal Regulations, 2013 CFR

2013-10-01

... (planning, feasibility, design, etc.). In order to insure accurate descriptions and environmental... construction; alternatives related to different locations or designs or details of the proposed action which... detailed to reveal comparative evaluation of the environmental benefits, costs, and risks of the proposed...

49 CFR 520.34 - Comments on environmental statements prepared by other agencies.

Code of Federal Regulations, 2010 CFR

2010-10-01

... (planning, feasibility, design, etc.). In order to insure accurate descriptions and environmental... construction; alternatives related to different locations or designs or details of the proposed action which... detailed to reveal comparative evaluation of the environmental benefits, costs, and risks of the proposed...

Civil Service Systems and Job Discrimination

ERIC Educational Resources Information Center

Coutourier, Jean

1975-01-01

This testimony, before a public hearing of the New York City Commission on Human Rights in May 1974, focuses on the National Civil Service League: essential elements of the League's program for achieving equal employment opportunity include outreach recruitment, accurate job descriptions, valid job-related examinations, and aggressive…

Description of a Sensitive Seebeck Calorimeter Used for Cold Fusion Studies

NASA Astrophysics Data System (ADS)

Storms, Edmund

A sensitive and stable Seebeck calorimeter is described and used to determine the heat of formation of PdD. This determination can be used to show that such calorimeters are sufficiently accurate to measure the LENR effect and give support to the claims.

Version 2.0 Visual Sample Plan (VSP): UXO Module Code Description and Verification

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

Gilbert, Richard O.; Wilson, John E.; O'Brien, Robert F.

2003-05-06

The Pacific Northwest National Laboratory (PNNL) is developing statistical methods for determining the amount of geophysical surveys conducted along transects (swaths) that are needed to achieve specified levels of confidence of finding target areas (TAs) of anomalous readings and possibly unexploded ordnance (UXO) at closed, transferring and transferred (CTT) Department of Defense (DoD) ranges and other sites. The statistical methods developed by PNNL have been coded into the UXO module of the Visual Sample Plan (VSP) software code that is being developed by PNNL with support from the DoD, the U.S. Department of Energy (DOE, and the U.S. Environmental Protectionmore » Agency (EPA). (The VSP software and VSP Users Guide (Hassig et al, 2002) may be downloaded from http://dqo.pnl.gov/vsp.) This report describes and documents the statistical methods developed and the calculations and verification testing that have been conducted to verify that VSPs implementation of these methods is correct and accurate.« less

Learning structure-property relationship in crystalline materials: A study of lanthanide-transition metal alloys

NASA Astrophysics Data System (ADS)

Pham, Tien-Lam; Nguyen, Nguyen-Duong; Nguyen, Van-Doan; Kino, Hiori; Miyake, Takashi; Dam, Hieu-Chi

2018-05-01

We have developed a descriptor named Orbital Field Matrix (OFM) for representing material structures in datasets of multi-element materials. The descriptor is based on the information regarding atomic valence shell electrons and their coordination. In this work, we develop an extension of OFM called OFM1. We have shown that these descriptors are highly applicable in predicting the physical properties of materials and in providing insights on the materials space by mapping into a low embedded dimensional space. Our experiments with transition metal/lanthanide metal alloys show that the local magnetic moments and formation energies can be accurately reproduced using simple nearest-neighbor regression, thus confirming the relevance of our descriptors. Using kernel ridge regressions, we could accurately reproduce formation energies and local magnetic moments calculated based on first-principles, with mean absolute errors of 0.03 μB and 0.10 eV/atom, respectively. We show that meaningful low-dimensional representations can be extracted from the original descriptor using descriptive learning algorithms. Intuitive prehension on the materials space, qualitative evaluation on the similarities in local structures or crystalline materials, and inference in the designing of new materials by element substitution can be performed effectively based on these low-dimensional representations.

Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD

PubMed Central

2017-01-01

Developing ab initio approaches able to provide accurate excited-state energies at a reasonable computational cost is one of the biggest challenges in theoretical chemistry. In that framework, the Bethe–Salpeter equation approach, combined with the GW exchange-correlation self-energy, which maintains the same scaling with system size as TD-DFT, has recently been the focus of a rapidly increasing number of applications in molecular chemistry. Using a recently proposed set encompassing excitation energies of many kinds [J. Phys. Chem. Lett.2016, 7, 586–591], we investigate here the performances of BSE/GW. We compare these results to CASPT2, EOM-CCSD, and TD-DFT data and show that BSE/GW provides an accuracy comparable to the two wave function methods. It is particularly remarkable that the BSE/GW is equally efficient for valence, Rydberg, and charge-transfer excitations. In contrast, it provides a poor description of triplet excited states, for which EOM-CCSD and CASPT2 clearly outperform BSE/GW. This contribution therefore supports the use of the Bethe–Salpeter approach for spin-conserving transitions. PMID:28301726

Forming limit prediction by an evolving non-quadratic yield criterion considering the anisotropic hardening and r-value evolution

NASA Astrophysics Data System (ADS)

Lian, Junhe; Shen, Fuhui; Liu, Wenqi; Münstermann, Sebastian

2018-05-01

The constitutive model development has been driven to a very accurate and fine-resolution description of the material behaviour responding to various environmental variable changes. The evolving features of the anisotropic behaviour during deformation, therefore, has drawn particular attention due to its possible impacts on the sheet metal forming industry. An evolving non-associated Hill48 (enHill48) model was recently proposed and applied to the forming limit prediction by coupling with the modified maximum force criterion. On the one hand, the study showed the significance to include the anisotropic evolution for accurate forming limit prediction. On the other hand, it also illustrated that the enHill48 model introduced an instability region that suddenly decreases the formability. Therefore, in this study, an alternative model that is based on the associated flow rule and provides similar anisotropic predictive capability is extended to chapter the evolving effects and further applied to the forming limit prediction. The final results are compared with experimental data as well as the results by enHill48 model.

An accurate behavioral model for single-photon avalanche diode statistical performance simulation

NASA Astrophysics Data System (ADS)

Xu, Yue; Zhao, Tingchen; Li, Ding

2018-01-01

An accurate behavioral model is presented to simulate important statistical performance of single-photon avalanche diodes (SPADs), such as dark count and after-pulsing noise. The derived simulation model takes into account all important generation mechanisms of the two kinds of noise. For the first time, thermal agitation, trap-assisted tunneling and band-to-band tunneling mechanisms are simultaneously incorporated in the simulation model to evaluate dark count behavior of SPADs fabricated in deep sub-micron CMOS technology. Meanwhile, a complete carrier trapping and de-trapping process is considered in afterpulsing model and a simple analytical expression is derived to estimate after-pulsing probability. In particular, the key model parameters of avalanche triggering probability and electric field dependence of excess bias voltage are extracted from Geiger-mode TCAD simulation and this behavioral simulation model doesn't include any empirical parameters. The developed SPAD model is implemented in Verilog-A behavioral hardware description language and successfully operated on commercial Cadence Spectre simulator, showing good universality and compatibility. The model simulation results are in a good accordance with the test data, validating high simulation accuracy.

Ab Initio Molecular Dynamics and Lattice Dynamics-Based Force Field for Modeling Hexagonal Boron Nitride in Mechanical and Interfacial Applications.

PubMed

Govind Rajan, Ananth; Strano, Michael S; Blankschtein, Daniel

2018-04-05

Hexagonal boron nitride (hBN) is an up-and-coming two-dimensional material, with applications in electronic devices, tribology, and separation membranes. Herein, we utilize density-functional-theory-based ab initio molecular dynamics (MD) simulations and lattice dynamics calculations to develop a classical force field (FF) for modeling hBN. The FF predicts the crystal structure, elastic constants, and phonon dispersion relation of hBN with good accuracy and exhibits remarkable agreement with the interlayer binding energy predicted by random phase approximation calculations. We demonstrate the importance of including Coulombic interactions but excluding 1-4 intrasheet interactions to obtain the correct phonon dispersion relation. We find that improper dihedrals do not modify the bulk mechanical properties and the extent of thermal vibrations in hBN, although they impact its flexural rigidity. Combining the FF with the accurate TIP4P/Ice water model yields excellent agreement with interaction energies predicted by quantum Monte Carlo calculations. Our FF should enable an accurate description of hBN interfaces in classical MD simulations.

The Effective-One-Body Approach to the General Relativistic Two Body Problem

NASA Astrophysics Data System (ADS)

Damour, Thibault; Nagar, Alessandro

The two-body problem in General Relativity has been the subject of many analytical investigations. After reviewing some of the methods used to tackle this problem (and, more generally, the N-body problem), we focus on a new, recently introduced approach to the motion and radiation of (comparable mass) binary systems: the Effective One Body (EOB) formalism. We review the basic elements of this formalism, and discuss some of its recent developments. Several recent comparisons between EOB predictions and Numerical Relativity (NR) simulations have shown the aptitude of the EOB formalism to provide accurate descriptions of the dynamics and radiation of various binary systems (comprising black holes or neutron stars) in regimes that are inaccessible to other analytical approaches (such as the last orbits and the merger of comparable mass black holes). In synergy with NR simulations, post-Newtonian (PN) theory and Gravitational Self-Force (GSF) computations, the EOB formalism is likely to provide an efficient way of computing the very many accurate template waveforms that are needed for Gravitational Wave (GW) data analysis purposes.

Interpretable Decision Sets: A Joint Framework for Description and Prediction

PubMed Central

Lakkaraju, Himabindu; Bach, Stephen H.; Jure, Leskovec

2016-01-01

One of the most important obstacles to deploying predictive models is the fact that humans do not understand and trust them. Knowing which variables are important in a model’s prediction and how they are combined can be very powerful in helping people understand and trust automatic decision making systems. Here we propose interpretable decision sets, a framework for building predictive models that are highly accurate, yet also highly interpretable. Decision sets are sets of independent if-then rules. Because each rule can be applied independently, decision sets are simple, concise, and easily interpretable. We formalize decision set learning through an objective function that simultaneously optimizes accuracy and interpretability of the rules. In particular, our approach learns short, accurate, and non-overlapping rules that cover the whole feature space and pay attention to small but important classes. Moreover, we prove that our objective is a non-monotone submodular function, which we efficiently optimize to find a near-optimal set of rules. Experiments show that interpretable decision sets are as accurate at classification as state-of-the-art machine learning techniques. They are also three times smaller on average than rule-based models learned by other methods. Finally, results of a user study show that people are able to answer multiple-choice questions about the decision boundaries of interpretable decision sets and write descriptions of classes based on them faster and more accurately than with other rule-based models that were designed for interpretability. Overall, our framework provides a new approach to interpretable machine learning that balances accuracy, interpretability, and computational efficiency. PMID:27853627

A Geographic Information Systems (GIS)-based analysis of modern South African rodent distributions, habitat use, and environmental tolerances.

PubMed

Campbell, Timothy L; Lewis, Patrick J; Thies, Monte L; Williams, Justin K

2012-11-01

GOALS OF THIS STUDY WERE TO: (1) develop distributional maps of modern rodent genera throughout the countries of South Africa, Lesotho, and Swaziland by georeferencing museum specimens; (2) assess habitat preferences for genera by cross-referencing locality position with South African vegetation; and (3) identify mean annual precipitation and temperature range where the genera are located. Conterminous South Africa including the countries of Lesotho and Swaziland Digital databases of rodent museum specimens housed in the Ditsong National Museum of Natural History, South Africa (DM), and the Division of Mammals, National Museum of Natural History, Smithsonian Institution, United States (NMNH), were acquired and then sorted into a subset of specimens with associated coordinate data. The coordinate data were then used to develop distributional maps for the rodent genera present within the study area. Percent habitat occupation and descriptive statistics for six climatic variables were then determined for each genus by cross-referencing locality positions with vegetation and climatic maps. This report presents a series of maps illustrating the distribution of 35 rodent genera based on 19,471 geo-referenced specimens obtained from two major collections. Inferred habitat use by taxon is provided for both locality and specimen percent occurrence at three hierarchical habitat levels: biome, bioregion, and vegetation unit. Descriptive statistics for six climatic variables are also provided for each genus based on locality and specimen percent incidence. As rodent faunas are commonly used in paleoenvironmental reconstructions, an accurate assessment of rodent environmental tolerance ranges is necessary before confidence can be placed in an actualistic model. While the data presented here represent only a subset of the modern geographic distributions for many of the taxa examined, a wide range of environmental regimes are observed, suggesting that more research is necessary in order to accurately reconstruct an environmental signature when these taxa are found in the fossil record.

The pdf approach to turbulent polydispersed two-phase flows

NASA Astrophysics Data System (ADS)

Minier, Jean-Pierre; Peirano, Eric

2001-10-01

The purpose of this paper is to develop a probabilistic approach to turbulent polydispersed two-phase flows. The two-phase flows considered are composed of a continuous phase, which is a turbulent fluid, and a dispersed phase, which represents an ensemble of discrete particles (solid particles, droplets or bubbles). Gathering the difficulties of turbulent flows and of particle motion, the challenge is to work out a general modelling approach that meets three requirements: to treat accurately the physically relevant phenomena, to provide enough information to address issues of complex physics (combustion, polydispersed particle flows, …) and to remain tractable for general non-homogeneous flows. The present probabilistic approach models the statistical dynamics of the system and consists in simulating the joint probability density function (pdf) of a number of fluid and discrete particle properties. A new point is that both the fluid and the particles are included in the pdf description. The derivation of the joint pdf model for the fluid and for the discrete particles is worked out in several steps. The mathematical properties of stochastic processes are first recalled. The various hierarchies of pdf descriptions are detailed and the physical principles that are used in the construction of the models are explained. The Lagrangian one-particle probabilistic description is developed first for the fluid alone, then for the discrete particles and finally for the joint fluid and particle turbulent systems. In the case of the probabilistic description for the fluid alone or for the discrete particles alone, numerical computations are presented and discussed to illustrate how the method works in practice and the kind of information that can be extracted from it. Comments on the current modelling state and propositions for future investigations which try to link the present work with other ideas in physics are made at the end of the paper.

Mean-Field Description of Ionic Size Effects with Non-Uniform Ionic Sizes: A Numerical Approach

PubMed Central

Zhou, Shenggao; Wang, Zhongming; Li, Bo

2013-01-01

Ionic size effects are significant in many biological systems. Mean-field descriptions of such effects can be efficient but also challenging. When ionic sizes are different, explicit formulas in such descriptions are not available for the dependence of the ionic concentrations on the electrostatic potential, i.e., there is no explicit, Boltzmann type distributions. This work begins with a variational formulation of the continuum electrostatics of an ionic solution with such non-uniform ionic sizes as well as multiple ionic valences. An augmented Lagrange multiplier method is then developed and implemented to numerically solve the underlying constrained optimization problem. The method is shown to be accurate and efficient, and is applied to ionic systems with non-uniform ionic sizes such as the sodium chloride solution. Extensive numerical tests demonstrate that the mean-field model and numerical method capture qualitatively some significant ionic size effects, particularly those for multivalent ionic solutions, such as the stratification of multivalent counterions near a charged surface. The ionic valence-to-volume ratio is found to be the key physical parameter in the stratification of concentrations. All these are not well described by the classical Poisson–Boltzmann theory, or the generalized Poisson–Boltzmann theory that treats uniform ionic sizes. Finally, various issues such as the close packing, limitation of the continuum model, and generalization of this work to molecular solvation are discussed. PMID:21929014

Assessment and revision of clinical pharmacy practice internet web sites.

PubMed

Edwards, Krystal L; Salvo, Marissa C; Ward, Kristina E; Attridge, Russell T; Kiser, Katie; Pinner, Nathan A; Gallegos, Patrick J; Kesteloot, Lori Lynn; Hylton, Ann; Bookstaver, P Brandon

2014-02-01

Health care professionals, trainees, and patients use the Internet extensively. Editable Web sites may contain inaccurate, incomplete, and/or outdated information that may mislead the public's perception of the topic. To evaluate the editable, online descriptions of clinical pharmacy and pharmacist and attempt to improve their accuracy. The authors identified key areas within clinical pharmacy to evaluate for accuracy and appropriateness on the Internet. Current descriptions that were reviewed on public domain Web sites included: (1) clinical pharmacy and the clinical pharmacist, (2) pharmacy education, (3) clinical pharmacy and development and provision for reimbursement, (4) clinical pharmacists and advanced specialty certifications/training opportunities, (5) pharmacists and advocacy, and (6) clinical pharmacists and interdisciplinary/interprofessional content. The authors assessed each content area to determine accuracy and prioritized the need for updating, when applicable, to achieve consistency in descriptions and relevancy. The authors found that Wikipedia, a public domain that allows users to update, was consistently the most common Web site produced in search results. The authors' evaluation resulted in the creation or revision of 14 Wikipedia Web pages. However, rejection of 3 proposed newly created Web pages affected the authors' ability to address identified content areas with deficiencies and/or inaccuracies. Through assessing and updating editable Web sites, the authors strengthened the online representation of clinical pharmacy in a clear, cohesive, and accurate manner. However, ongoing assessments of the Internet are continually needed to ensure accuracy and appropriateness.

Nephrology in A Medicinal Dictionary of Robert James (1703-1776).

PubMed

Bisaccia, Carmela; De Santo, Natale G; Cirillo, Massimo; Perna, Alessandra; De Santo, Rosalba; Richet, Gabriel

2011-01-01

Robert James was a member of the College of Physicians at Cambridge and a practitioner. He was considered one of the "three best known characters in London--perhaps in Europe. The other two being the lexycographer Samuel Johnson and the Shakespearean actor David Garrick." James became famous for his powerful ability to write and publish, which produced many books, including the ponderous A Medicinal Dictionary, With a History of Drugs, in 3 volumes in folio, published in London in the years 1743-1745, and dedicated to the famous professor and royal physician John Mead. The Dictionary was translated into French by Denis Diderot, François-Vincent Toussaint and Marc Antoine Eidous, and was revised by Juliene T. Busson, president of the University of Paris. During the translation, Diderot learned much biology and medicine, which he used subsequently in developing his Encyclopédie. Interesting chapters are devoted to urine, predictions from urine, bloody urine, good urine, bad urine, urine portending death, diabetes, dropsy, nephritis, stone, ischury, dysury and urine incontinence. In general their strength resides in their accurate clinical descriptions. The paragraphs on urine are concise and clinically sound, and the description of procedures for urine analysis and the utilization of results (quantity, quantity, colors, sediments and consistency) in diagnosis and prognosis of bloody urine is accurate. The section on diabetes is excellent and is comparable to that of Desault written decades later in the Encyclopédie of Diderot. In the chapter on dropsy (he does not use the word oedema), patients are well described and their remedies are appropriate for the time. The contributions of kidney and liver are clear. The plants for renal treatment can be traced to Dioscorides. Concerning dosage, he is precise and helpful to his readers. The chapter on stones is a real masterpiece, clinically well centered and giving all the pertinent information to localize them, their medical treatment and the risks of surgery. The entry on nephritis is short and rather confusing. Here James even lacks the usual accurate description of cases which could have made it understandable. Blood letting was extensively used in those days, and he is a man of his time, but James was aware of the clinical conditions where it fails. It is understandable that he underlines its role in certain bloody urines in patients with a plethoric constitution. Was James referring to patients with acute nephritis and possibly high blood pressure.

Chromatic refraction with global ozone monitoring by occultation of stars. I. Description and scintillation correction.

PubMed

Dalaudier, F; Kan, V; Gurvich, A S

2001-02-20

We describe refractive and chromatic effects, both regular and random, that occur during star occultations by the Earth's atmosphere. The scintillation that results from random density fluctuations, as well as the consequences of regular chromatic refraction, is qualitatively described. The resultant chromatic scintillation will produce random features on the Global Ozone Monitoring by Occultation of Stars (GOMOS) spectrometer, with an amplitude comparable with that of some of the real absorbing features that result from atmospheric constituents. A correction method that is based on the use of fast photometer signals is described, and its efficiency is discussed. We give a qualitative (although accurate) description of the phenomena, including numerical values when needed. Geometrical optics and the phase-screen approximation are used to keep the description simple.

15 CFR 16.2 - Description and goal of program.

Code of Federal Regulations, 2011 CFR

2011-01-01

... performance characteristics in CPILP labels if, by doing so, product comparison at the point of sale is... Voluntary Consumer Product Information Labeling Program makes available to consumers, at the point of sale, information on consumer product performance in an understandable and useful form so as to facilitate accurate...

Descriptive Morphology Terms For MAMA software

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

Ruggiero, Christy E.; Porter, Reid B.

The table on the following pages lists a set of morphology terms for describing materials. We have organized these terms by categories. Software uses are welcome to suggest other terms that are needed to accurately describe materials. This list is intended as a initial starting point to generating a consensus terminology list.

Who's Playing College Sports? Money, Race and Gender

ERIC Educational Resources Information Center

Cheslock, John

2008-01-01

This research is the most accurate description of college sports' participation patterns to date, shows that both men's and women's sports participation have increased over the past 25 years. It examines factors, including Title IX and athletic expenditure growth, impacting today's college sports participation trends, which vary widely by sport.…

40 CFR 1033.205 - Applying for a certificate of conformity.

Code of Federal Regulations, 2011 CFR

2011-07-01

...) You must update and correct your application to accurately reflect your production, as described in...., engine coolant temperature). (iii) Each auxiliary emission control device (AECD). (iv) All fuel system components to be installed on any production or test locomotives. (v) Diagnostics. (3) A description of the...

40 CFR 1033.205 - Applying for a certificate of conformity.

Code of Federal Regulations, 2010 CFR

2010-07-01

...) You must update and correct your application to accurately reflect your production, as described in...., engine coolant temperature). (iii) Each auxiliary emission control device (AECD). (iv) All fuel system components to be installed on any production or test locomotives. (v) Diagnostics. (3) A description of the...

40 CFR 1033.205 - Applying for a certificate of conformity.

Code of Federal Regulations, 2012 CFR

2012-07-01

...) You must update and correct your application to accurately reflect your production, as described in...., engine coolant temperature). (iii) Each auxiliary emission control device (AECD). (iv) All fuel system components to be installed on any production or test locomotives. (v) Diagnostics. (3) A description of the...

40 CFR 1033.205 - Applying for a certificate of conformity.

Code of Federal Regulations, 2014 CFR

2014-07-01

...) You must update and correct your application to accurately reflect your production, as described in...., engine coolant temperature). (iii) Each auxiliary emission control device (AECD). (iv) All fuel system components to be installed on any production or test locomotives. (v) Diagnostics. (3) A description of the...

40 CFR 94.203 - Application for certification.

Code of Federal Regulations, 2013 CFR

2013-07-01

... in § 94.210 to accurately reflect the manufacturer's production. (d) Each application shall include... temperature or engine speed); (iii) Each auxiliary emission control device (AECD); and (iv) All fuel system components to be installed on any production or test engine(s). (3) A description of the test engine. (4...

40 CFR 94.203 - Application for certification.

Code of Federal Regulations, 2011 CFR

2011-07-01

... in § 94.210 to accurately reflect the manufacturer's production. (d) Each application shall include... temperature or engine speed); (iii) Each auxiliary emission control device (AECD); and (iv) All fuel system components to be installed on any production or test engine(s). (3) A description of the test engine. (4...

40 CFR 1033.205 - Applying for a certificate of conformity.

Code of Federal Regulations, 2013 CFR

2013-07-01

...) You must update and correct your application to accurately reflect your production, as described in...., engine coolant temperature). (iii) Each auxiliary emission control device (AECD). (iv) All fuel system components to be installed on any production or test locomotives. (v) Diagnostics. (3) A description of the...

Effects of the coupling of quasiparticle and collective vibrations on the properties of 120Sn

NASA Astrophysics Data System (ADS)

Vigezzi, Enrico

2018-03-01

Assuming quasiparticles and collective vibrations as fundamental modes of excitation and taking into account their interplay within the framework of Nuclear Field Theory, it is possible to give an accurate and comprehensive description of the low-energy spectrum of the superfluid nucleus 120Sn.

Qualitative Epidemiologic Methods Can Improve Local Prevention Programming among Adolescents

ERIC Educational Resources Information Center

Daniulaityte, Raminta; Siegal, Harvey A.; Carlson, Robert G.; Kenne, Deric R.; Starr, Sanford; DeCamp, Brad

2004-01-01

The Ohio Substance Abuse Monitoring Network (OSAM) is designed to provide accurate, timely, qualitatively-oriented epidemiologic descriptions of substance abuse trends and emerging problems in the state's major urban and rural areas. Use of qualitative methods in identifying and assessing substance abuse practices in local communities is one of…

75 FR 17760 - Endangered and Threatened Wildlife and Plants; Spectacled Eider (Somateria fischeri): Initiation...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-07

...] Endangered and Threatened Wildlife and Plants; Spectacled Eider (Somateria fischeri): Initiation of 5-Year... Endangered and Threatened Wildlife and Plants is accurate. We request any new information on this species...). For the description, taxonomy, distribution, status, breeding biology and habitat, and a summary of...

Evaluating the Skill of Students to Determine Soil Morphology Characteristics

ERIC Educational Resources Information Center

Post, Donald F.; Parikh, Sanjai J.; Papp, Rae Ann; Ferriera, Laerta

2006-01-01

Precise and accurate pedon descriptions prepared by field scientists using standard techniques with defined terminology and methodology are essential in describing soil pedons. The accuracy of field measurements generally are defined in terms of how well they agree with objective criteria (e.g., laboratory analysis), such as mechanical analysis…

A New Minority: Indochinese Refugees in Higher Education.

ERIC Educational Resources Information Center

Skinner, Kenneth A.; Hendricks, Glenn L.

On the premise that postsecondary institutions can respond adequately to the new Indochinese student population only if an accurate description of the students is provided, an ethnographic study of the refugee community's process of adaptation was undertaken. The social situations and experiences of the refugees are described, including their…

Accurately Predicting Future Reading Difficulty for Bilingual Latino Children at Risk for Language Impairment

ERIC Educational Resources Information Center

Petersen, Douglas B.; Gillam, Ronald B.

2013-01-01

Sixty-three bilingual Latino children who were at risk for language impairment were administered reading-related measures in English and Spanish (letter identification, phonological awareness, rapid automatized naming, and sentence repetition) and descriptive measures including English language proficiency (ELP), language ability (LA),…

Lawn mower injuries: a case report.

PubMed

Kharasch, M S; Longano, J; Kucich, V A; Mathews, J

1992-01-01

Frequent and varied injuries are sustained during the operation of power lawn mowers in the United States. A description of one such injury leading to cardiac trauma is presented. The clinical signs of injury were initially unclear, and obtaining accurate historical data was vital in the diagnosis of this patient.

Homework Hotlines: Recommendations for Successful Practice

ERIC Educational Resources Information Center

Reach, Kelle; Cooper, Harris

2004-01-01

It is common for students to have difficulty completing homework in a timely and accurate manner. Many school districts and organizations offer homework hotlines to help students complete assignments. However, educators lack a clear description of what is necessary to establish and maintain an effective hotline. This article addresses four issues…

21 CFR 1271.370 - Labeling.

Code of Federal Regulations, 2010 CFR

2010-04-01

...) You must label each HCT/P made available for distribution clearly and accurately. (b) The following information must appear on the HCT/P label: (1) Distinct identification code affixed to the HCT/P container, and assigned in accordance with § 1271.290(c); (2) Description of the type of HCT/P; (3) Expiration...

21 CFR 1271.370 - Labeling.

Code of Federal Regulations, 2011 CFR

2011-04-01

...) You must label each HCT/P made available for distribution clearly and accurately. (b) The following information must appear on the HCT/P label: (1) Distinct identification code affixed to the HCT/P container, and assigned in accordance with § 1271.290(c); (2) Description of the type of HCT/P; (3) Expiration...

Microbial phenomics information extractor (MicroPIE): a natural language processing tool for the automated acquisition of prokaryotic phenotypic characters from text sources.

PubMed

Mao, Jin; Moore, Lisa R; Blank, Carrine E; Wu, Elvis Hsin-Hui; Ackerman, Marcia; Ranade, Sonali; Cui, Hong

2016-12-13

The large-scale analysis of phenomic data (i.e., full phenotypic traits of an organism, such as shape, metabolic substrates, and growth conditions) in microbial bioinformatics has been hampered by the lack of tools to rapidly and accurately extract phenotypic data from existing legacy text in the field of microbiology. To quickly obtain knowledge on the distribution and evolution of microbial traits, an information extraction system needed to be developed to extract phenotypic characters from large numbers of taxonomic descriptions so they can be used as input to existing phylogenetic analysis software packages. We report the development and evaluation of Microbial Phenomics Information Extractor (MicroPIE, version 0.1.0). MicroPIE is a natural language processing application that uses a robust supervised classification algorithm (Support Vector Machine) to identify characters from sentences in prokaryotic taxonomic descriptions, followed by a combination of algorithms applying linguistic rules with groups of known terms to extract characters as well as character states. The input to MicroPIE is a set of taxonomic descriptions (clean text). The output is a taxon-by-character matrix-with taxa in the rows and a set of 42 pre-defined characters (e.g., optimum growth temperature) in the columns. The performance of MicroPIE was evaluated against a gold standard matrix and another student-made matrix. Results show that, compared to the gold standard, MicroPIE extracted 21 characters (50%) with a Relaxed F1 score > 0.80 and 16 characters (38%) with Relaxed F1 scores ranging between 0.50 and 0.80. Inclusion of a character prediction component (SVM) improved the overall performance of MicroPIE, notably the precision. Evaluated against the same gold standard, MicroPIE performed significantly better than the undergraduate students. MicroPIE is a promising new tool for the rapid and efficient extraction of phenotypic character information from prokaryotic taxonomic descriptions. However, further development, including incorporation of ontologies, will be necessary to improve the performance of the extraction for some character types.

Basic research and data analysis for the earth and ocean physics applications program and for the National Geodetic Satellite program

NASA Technical Reports Server (NTRS)

1975-01-01

Data acquisition using single image and seven image data processing is used to provide a precise and accurate geometric description of the earth's surface. Transformation parameters and network distortions are determined, Sea slope along the continental boundaries of the U.S. and earth rotation are examined, along with close grid geodynamic satellite system. Data are derived for a mathematical description of the earth's gravitational field; time variations are determined for geometry of the ocean surface, the solid earth, gravity field, and other geophysical parameters.

A Novel Approach to Anharmonicity for a Wealth of Applications in Nonlinear Science Technologies

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

Hanusse, Patrick

2011-04-19

We present a new theory of the anharmonicity of nonlinear oscillations that are exhibited by many physical systems. New physical quantities are introduced that describe the departure from linear or harmonic behavior and as far as extremely anharmonic situations. In order to solve the nonlinear phase equation, the key notion of our theory, which controls the anharmonic behavior, a new and fascinating nonlinear trigonometry is designed. These results provide a general and accurate yet compact description of such signals, by far better than the Fourier description, both quantitatively and qualitatively and will benefit many application fields.

Behaviour change techniques: the development and evaluation of a taxonomic method for reporting and describing behaviour change interventions (a suite of five studies involving consensus methods, randomised controlled trials and analysis of qualitative data).

PubMed

Michie, Susan; Wood, Caroline E; Johnston, Marie; Abraham, Charles; Francis, Jill J; Hardeman, Wendy

2015-11-01

Meeting global health challenges requires effective behaviour change interventions (BCIs). This depends on advancing the science of behaviour change which, in turn, depends on accurate intervention reporting. Current reporting often lacks detail, preventing accurate replication and implementation. Recent developments have specified intervention content into behaviour change techniques (BCTs) - the 'active ingredients', for example goal-setting, self-monitoring of behaviour. BCTs are 'the smallest components compatible with retaining the postulated active ingredients, i.e. the proposed mechanisms of change. They can be used alone or in combination with other BCTs' (Michie S, Johnston M. Theories and techniques of behaviour change: developing a cumulative science of behaviour change. Health Psychol Rev 2012;6:1-6). Domain-specific taxonomies of BCTs have been developed, for example healthy eating and physical activity, smoking cessation and alcohol consumption. We need to build on these to develop an internationally shared language for specifying and developing interventions. This technology can be used for synthesising evidence, implementing effective interventions and testing theory. It has enormous potential added value for science and global health. (1) To develop a method of specifying content of BCIs in terms of component BCTs; (2) to lay a foundation for a comprehensive methodology applicable to different types of complex interventions; (3) to develop resources to support application of the taxonomy; and (4) to achieve multidisciplinary and international acceptance for future development. Four hundred participants (systematic reviewers, researchers, practitioners, policy-makers) from 12 countries engaged in investigating, designing and/or delivering BCIs. Development of the taxonomy involved a Delphi procedure, an iterative process of revisions and consultation with 41 international experts; hierarchical structure of the list was developed using inductive 'bottom-up' and theory-driven 'top-down' open-sort procedures (n = 36); training in use of the taxonomy (1-day workshops and distance group tutorials) (n = 161) was evaluated by changes in intercoder reliability and validity (agreement with expert consensus); evaluating the taxonomy for coding interventions was assessed by reliability (intercoder; test-retest) and validity (n = 40 trained coders); and evaluating the taxonomy for writing descriptions was assessed by reliability (intercoder; test-retest) and by experimentally testing its value (n = 190). Ninety-three distinct, non-overlapping BCTs with clear labels and definitions formed Behaviour Change Technique Taxonomy version 1 (BCTTv1). BCTs clustered into 16 groupings using a 'bottom-up' open-sort procedure; there was overlap between these and groupings produced by a theory-driven, 'top-down' procedure. Both training methods improved validity (both p < 0.05), doubled the proportion of coders achieving competence and improved confidence in identifying BCTs in workshops (both p < 0.001) but did not improve intercoder reliability. Good intercoder reliability was observed for 80 of the 93 BCTs. Good within-coder agreement was observed after 1 month (p < 0.001). Validity was good for 14 of 15 BCTs in the descriptions. The usefulness of BCTTv1 to report descriptions of observed interventions had mixed results. The developed taxonomy (BCTTv1) provides a methodology for identifying content of complex BCIs and a foundation for international cross-disciplinary collaboration for developing more effective interventions to improve health. Further work is needed to examine its usefulness for reporting interventions. This project was funded by the Medical Research Council Ref: G0901474/1. Funding also came from the Peninsula Collaboration for Leadership in Applied Health Research and Care.

Thermodynamic properties and equations of state for Ag, Al, Au, Cu and MgO using a lattice vibrational method

NASA Astrophysics Data System (ADS)

Jacobs, M.; Schmid-Fetzer, R.

2012-04-01

A prerequisite for the determination of pressure in static high pressure measurements, such as in diamond anvil cells is the availability of accurate equations of state for reference materials. These materials serve as luminescence gauges or as X-ray gauges and equations of state for these materials serve as secondary pressure scales. Recently, successful progress has been made in the development of consistency between static, dynamic shock-wave and ultrasonic measurements of equations of state (e.g. Dewaele et al. Phys. Rev. B70, 094112, 2004, Dorogokupets and Oganov, Doklady Earth Sciences, 410, 1091-1095, 2006, Holzapfel, High Pressure Research 30, 372-394, 2010) allowing testing models to arrive at consistent thermodynamic descriptions for X-ray gauges. Apart from applications of metallic elements in high-pressure work, thermodynamic properties of metallic elements are also of mandatory interest in the field of metallurgy for studying phase equilibria of alloys, kinetics of phase transformation and diffusion related problems, requiring accurate thermodynamic properties in the low pressure regime. Our aim is to develop a thermodynamic data base for metallic alloy systems containing Ag, Al, Au, Cu, Fe, Ni, Pt, from which volume properties in P-T space can be predicted when it is coupled to vibrational models. This mandates the description of metallic elements as a first step aiming not only at consistency in the pressure scales for the elements, but also at accurate representations of thermodynamic properties in the low pressure regime commonly addressed in metallurgical applications. In previous works (e.g. Jacobs and de Jong, Geochim. Cosmochim. Acta, 71, 3630-3655, 2007, Jacobs and van den Berg, Phys. Earth Planet. Inter., 186, 36-48, 2011) it was demonstrated that a lattice vibrational framework based on Kieffer's model for the vibrational density of states, is suitable to construct a thermodynamic database for Earth mantle materials. Such a database aims at, when coupled to a thermodynamic computation program, the calculation and prediction of phase equilibria and thermo-physical properties of phase equilibrium assemblages in pressure-temperature-composition space. In Jacobs and van den Berg (2011) the vibrational method, together with a thermodynamic data base, was successfully applied to mantle convection of materials in the Earth. These works demonstrate that the vibrational method has the advantages of (1) computational speed, (2) coupling or making comparisons with ab initio methods and (3) making reliable extrapolations to extreme conditions. We present results of thermodynamic analyses, using lattice vibrational methods, of Ag, Al, Au, Cu and MgO covering the pressure and temperature regime of the Earth's interior. We show results on consistency of the pressure scales for these materials using different equations of state, under the constraint that thermodynamic properties in the low-pressure regime are accurately represented.

Autism, Asperger syndrome and brain mechanisms for the attribution of mental states to animated shapes.

PubMed

Castelli, Fulvia; Frith, Chris; Happé, Francesca; Frith, Uta

2002-08-01

Ten able adults with autism or Asperger syndrome and 10 normal volunteers were PET scanned while watching animated sequences. The animations depicted two triangles moving about on a screen in three different conditions: moving randomly, moving in a goal-directed fashion (chasing, fighting), and moving interactively with implied intentions (coaxing, tricking). The last condition frequently elicited descriptions in terms of mental states that viewers attributed to the triangles (mentalizing). The autism group gave fewer and less accurate descriptions of these latter animations, but equally accurate descriptions of the other animations compared with controls. While viewing animations that elicited mentalizing, in contrast to randomly moving shapes, the normal group showed increased activation in a previously identified mentalizing network (medial prefrontal cortex, superior temporal sulcus at the temporo-parietal junction and temporal poles). The autism group showed less activation than the normal group in all these regions. However, one additional region, extrastriate cortex, which was highly active when watching animations that elicited mentalizing, showed the same amount of increased activation in both groups. In the autism group this extrastriate region showed reduced functional connectivity with the superior temporal sulcus at the temporo-parietal junction, an area associated with the processing of biological motion as well as with mentalizing. This finding suggests a physiological cause for the mentalizing dysfunction in autism: a bottleneck in the interaction between higher order and lower order perceptual processes.

Logo image clustering based on advanced statistics

NASA Astrophysics Data System (ADS)

Wei, Yi; Kamel, Mohamed; He, Yiwei

2007-11-01

In recent years, there has been a growing interest in the research of image content description techniques. Among those, image clustering is one of the most frequently discussed topics. Similar to image recognition, image clustering is also a high-level representation technique. However it focuses on the coarse categorization rather than the accurate recognition. Based on wavelet transform (WT) and advanced statistics, the authors propose a novel approach that divides various shaped logo images into groups according to the external boundary of each logo image. Experimental results show that the presented method is accurate, fast and insensitive to defects.

The Lyα forest and the Cosmic Web

NASA Astrophysics Data System (ADS)

Meiksin, Avery

2016-10-01

The accurate description of the properties of the Lyman-α forest is a spectacular success of the Cold Dark Matter theory of cosmological structure formation. After a brief review of early models, it is shown how numerical simulations have demonstrated the Lyman-α forest emerges from the cosmic web in the quasi-linear regime of overdensity. The quasi-linear nature of the structures allows accurate modeling, providing constraints on cosmological models over a unique range of scales and enabling the Lyman-α forest to serve as a bridge to the more complex problem of galaxy formation.

Identifying nursing interventions associated with the accuracy used nursing diagnoses for patients with liver cirrhosis 1

PubMed Central

Gimenes, Fernanda Raphael Escobar; Motta, Ana Paula Gobbo; da Silva, Patrícia Costa dos Santos; Gobbo, Ana Flora Fogaça; Atila, Elisabeth; de Carvalho, Emilia Campos

2017-01-01

ABSTRACT Objective: to identify the nursing interventions associated with the most accurate and frequently used NANDA International, Inc. (NANDA-I) nursing diagnoses for patients with liver cirrhosis. Method: this is a descriptive, quantitative, cross-sectional study. Results: a total of 12 nursing diagnoses were evaluated, seven of which showed high accuracy (IVC ≥ 0.8); 70 interventions were identified and 23 (32.86%) were common to more than one diagnosis. Conclusion: in general, nurses often perform nursing interventions suggested in the NIC for the seven highly accurate nursing diagnoses identified in this study to care patients with liver cirrhosis. Accurate and valid nursing diagnoses guide the selection of appropriate interventions that nurses can perform to enhance patient safety and thus improve patient health outcomes.

Accurate radiation temperature and chemical potential from quantitative photoluminescence analysis of hot carrier populations.

PubMed

Gibelli, François; Lombez, Laurent; Guillemoles, Jean-François

2017-02-15

In order to characterize hot carrier populations in semiconductors, photoluminescence measurement is a convenient tool, enabling us to probe the carrier thermodynamical properties in a contactless way. However, the analysis of the photoluminescence spectra is based on some assumptions which will be discussed in this work. We especially emphasize the importance of the variation of the material absorptivity that should be considered to access accurate thermodynamical properties of the carriers, especially by varying the excitation power. The proposed method enables us to obtain more accurate results of thermodynamical properties by taking into account a rigorous physical description and finds direct application in investigating hot carrier solar cells, which are an adequate concept for achieving high conversion efficiencies with a relatively simple device architecture.

Advancing Efficient All-Electron Electronic Structure Methods Based on Numeric Atom-Centered Orbitals for Energy Related Materials

NASA Astrophysics Data System (ADS)

Blum, Volker

This talk describes recent advances of a general, efficient, accurate all-electron electronic theory approach based on numeric atom-centered orbitals; emphasis is placed on developments related to materials for energy conversion and their discovery. For total energies and electron band structures, we show that the overall accuracy is on par with the best benchmark quality codes for materials, but scalable to large system sizes (1,000s of atoms) and amenable to both periodic and non-periodic simulations. A recent localized resolution-of-identity approach for the Coulomb operator enables O (N) hybrid functional based descriptions of the electronic structure of non-periodic and periodic systems, shown for supercell sizes up to 1,000 atoms; the same approach yields accurate results for many-body perturbation theory as well. For molecular systems, we also show how many-body perturbation theory for charged and neutral quasiparticle excitation energies can be efficiently yet accurately applied using basis sets of computationally manageable size. Finally, the talk highlights applications to the electronic structure of hybrid organic-inorganic perovskite materials, as well as to graphene-based substrates for possible future transition metal compound based electrocatalyst materials. All methods described here are part of the FHI-aims code. VB gratefully acknowledges contributions by numerous collaborators at Duke University, Fritz Haber Institute Berlin, TU Munich, USTC Hefei, Aalto University, and many others around the globe.

Construction of In-house Databases in a Corporation

NASA Astrophysics Data System (ADS)

Koga, Kunitoshi; Kijima, Seiichi

The rapid technological innovation and alternation of the economical society have increased the importance of obtaining the accurate information promptly in order to make a timely decision. Therefore, UBE Industries Ltd. has developed “UMATIS”, an information manegement system, since July in 1985, where not only the technical but also manegerial information is accumulated and one can obtain it quickly as occasion demands. In addition to the brief introduction of an outline and the progress of the system, this gives the detailed description of the contents of the registered items, the indexing method, the utilization of retrieval, the manegerial method and so on in the main technical information system. The personal relation information system and the inorgnanic material data base system are also explained briefly.

A real-time digital computer program for the simulation of automatic spacecraft reentries

NASA Technical Reports Server (NTRS)

Kaylor, J. T.; Powell, L. F.; Powell, R. W.

1977-01-01

The automatic reentry flight dynamics simulator, a nonlinear, six-degree-of-freedom simulation, digital computer program, has been developed. The program includes a rotating, oblate earth model for accurate navigation calculations and contains adjustable gains on the aerodynamic stability and control parameters. This program uses a real-time simulation system and is designed to examine entries of vehicles which have constant mass properties whose attitudes are controlled by both aerodynamic surfaces and reaction control thrusters, and which have automatic guidance and control systems. The program has been used to study the space shuttle orbiter entry. This report includes descriptions of the equations of motion used, the control and guidance schemes that were implemented, the program flow and operation, and the hardware involved.

Final Report - DuraMelter 100 Tests to Support LAW Glass Formulation Correlation Development, VSL-06R6480-1, Rev. 0

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

Kruger, Albert A.; Muller, I. S.; Gong, W.

2013-12-03

This report describes the results of work and testing specified by Test Specifications 24590-LAW-TSP-RT-04-004, Rev. 0, Test Plans VSL-05T5480-1, Rev. 0 and Text Exceptions 24590-LAW-TEF-RT-05-00002. The work and any associated testing followed established quality assurance requirements and was conducted as authorized. The descriptions provided in this test report are an accurate account of both the conduct of the work and the data collected. Results required by the Test Plan are reported. Also reported are any unusual or anomalous occurences that are different from the starting hypotheses. The test results and this report have been reviewed and verified.

The Space Radiation Environment

NASA Technical Reports Server (NTRS)

Bourdarie, Sebastien; Xapsos, Michael A.

2008-01-01

The effects of the space radiation environment on spacecraft systems and instruments are significant design considerations for space missions. Astronaut exposure is a serious concern for manned missions. In order to meet these challenges and have reliable, cost-effective designs, the radiation environment must be understood and accurately modeled. The nature of the environment varies greatly between low earth orbits, higher earth orbits and interplanetary space. There are both short-term and long-term variations with the phase of the solar cycle. In this paper we concentrate mainly on charged particle radiations. Descriptions of the radiation belts and particles of solar and cosmic origin are reviewed. An overview of the traditional models is presented accompanied by their application areas and limitations. This is followed by discussion of some recent model developments.

Deformation in Metallic Glass: Connecting Atoms to Continua

NASA Astrophysics Data System (ADS)

Hinkle, Adam R.; Falk, Michael L.; Rycroft, Chris H.; Shields, Michael D.

Metallic glasses like other amorphous solids experience strain localization as the primary mode of failure. However, the development of continuum constitutive laws which provide a quantitative description of disorder and mechanical deformation remains an open challenge. Recent progress has shown the necessity of accurately capturing fluctuations in material structure, in particular the statistical changes in potential energy of the atomic constituents during the non-equilibrium process of applied shear. Here we directly cross-compare molecular dynamics shear simulations of a ZrCu glass with continuum shear transformation zone (STZ) theory representations. We present preliminary results for a methodology to coarse-grain detailed molecular dynamics data with the goal of initializing a continuum representation in the STZ theory. NSF Grants Awards 1107838, 1408685, and 0801471.

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

Collins, Benjamin S.; Hamilton, Steven P.; Jarrett, Michael G.

This report describes the performance improvements made to the VERA Core Simulator (VERA-CS) during FY2016. The development of the VERA Core Simulator has focused on the capability needed to deplete physical reactors and help solve various problems; this capability required the accurate simulation of many operating cycles of a nuclear power plant. The first section of this report introduces two test problems used to assess the run-time performance of VERA-CS using a source dated February 2016. The next section provides a brief overview of the major modifications made to decrease the computational cost. Following the descriptions of the major improvements,more » the run-time for each improvement is shown. Conclusions on the work are presented, and further follow-on performance improvements are suggested.« less

On three-dimensional misorientation spaces.

PubMed

Krakow, Robert; Bennett, Robbie J; Johnstone, Duncan N; Vukmanovic, Zoja; Solano-Alvarez, Wilberth; Lainé, Steven J; Einsle, Joshua F; Midgley, Paul A; Rae, Catherine M F; Hielscher, Ralf

2017-10-01

Determining the local orientation of crystals in engineering and geological materials has become routine with the advent of modern crystallographic mapping techniques. These techniques enable many thousands of orientation measurements to be made, directing attention towards how such orientation data are best studied. Here, we provide a guide to the visualization of misorientation data in three-dimensional vector spaces, reduced by crystal symmetry, to reveal crystallographic orientation relationships. Domains for all point group symmetries are presented and an analysis methodology is developed and applied to identify crystallographic relationships, indicated by clusters in the misorientation space, in examples from materials science and geology. This analysis aids the determination of active deformation mechanisms and evaluation of cluster centres and spread enables more accurate description of transformation processes supporting arguments regarding provenance.

Atmospheric Radiation Measurement (ARM) Climate Research Facility Management Plan

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

Mather, James

2016-04-01

Mission and Vision Statements for the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) Climate Research Facility Mission The ARM Climate Research Facility, a DOE scientific user facility, provides the climate research community with strategically located in situ and remote-sensing observatories designed to improve the understanding and representation, in climate and earth system models, of clouds and aerosols as well as their interactions and coupling with the Earth’s surface. Vision To provide a detailed and accurate description of the Earth atmosphere in diverse climate regimes to resolve the uncertainties in climate and Earth system models toward the development ofmore » sustainable solutions for the nation's energy and environmental challenges.« less

Protein-ligand interactions investigated by thermal shift assays (TSA) and dual polarization interferometry (DPI).

PubMed

Grøftehauge, Morten K; Hajizadeh, Nelly R; Swann, Marcus J; Pohl, Ehmke

2015-01-01

Over the last decades, a wide range of biophysical techniques investigating protein-ligand interactions have become indispensable tools to complement high-resolution crystal structure determinations. Current approaches in solution range from high-throughput-capable methods such as thermal shift assays (TSA) to highly accurate techniques including microscale thermophoresis (MST) and isothermal titration calorimetry (ITC) that can provide a full thermodynamic description of binding events. Surface-based methods such as surface plasmon resonance (SPR) and dual polarization interferometry (DPI) allow real-time measurements and can provide kinetic parameters as well as binding constants. DPI provides additional spatial information about the binding event. Here, an account is presented of new developments and recent applications of TSA and DPI connected to crystallography.

Protein–ligand interactions investigated by thermal shift assays (TSA) and dual polarization interferometry (DPI)

PubMed Central

Grøftehauge, Morten K.; Hajizadeh, Nelly R.; Swann, Marcus J.; Pohl, Ehmke

2015-01-01

Over the last decades, a wide range of biophysical techniques investigating protein–ligand interactions have become indispensable tools to complement high-resolution crystal structure determinations. Current approaches in solution range from high-throughput-capable methods such as thermal shift assays (TSA) to highly accurate techniques including microscale thermophoresis (MST) and isothermal titration calorimetry (ITC) that can provide a full thermodynamic description of binding events. Surface-based methods such as surface plasmon resonance (SPR) and dual polarization interferometry (DPI) allow real-time measurements and can provide kinetic parameters as well as binding constants. DPI provides additional spatial information about the binding event. Here, an account is presented of new developments and recent applications of TSA and DPI connected to crystallography. PMID:25615858

First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

DOE PAGES

Yang, Ji -Hui; Park, Ji -Sang; Kang, Joongoo; ...

2015-02-17

The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is generalmore » for many other systems.« less

Chaos-assisted tunneling in the presence of Anderson localization.

PubMed

Doggen, Elmer V H; Georgeot, Bertrand; Lemarié, Gabriel

2017-10-01

Tunneling between two classically disconnected regular regions can be strongly affected by the presence of a chaotic sea in between. This phenomenon, known as chaos-assisted tunneling, gives rise to large fluctuations of the tunneling rate. Here we study chaos-assisted tunneling in the presence of Anderson localization effects in the chaotic sea. Our results show that the standard tunneling rate distribution is strongly modified by localization, going from the Cauchy distribution in the ergodic regime to a log-normal distribution in the strongly localized case, for both a deterministic and a disordered model. We develop a single-parameter scaling description which accurately describes the numerical data. Several possible experimental implementations using cold atoms, photonic lattices, or microwave billiards are discussed.

On three-dimensional misorientation spaces

NASA Astrophysics Data System (ADS)

Krakow, Robert; Bennett, Robbie J.; Johnstone, Duncan N.; Vukmanovic, Zoja; Solano-Alvarez, Wilberth; Lainé, Steven J.; Einsle, Joshua F.; Midgley, Paul A.; Rae, Catherine M. F.; Hielscher, Ralf

2017-10-01

Determining the local orientation of crystals in engineering and geological materials has become routine with the advent of modern crystallographic mapping techniques. These techniques enable many thousands of orientation measurements to be made, directing attention towards how such orientation data are best studied. Here, we provide a guide to the visualization of misorientation data in three-dimensional vector spaces, reduced by crystal symmetry, to reveal crystallographic orientation relationships. Domains for all point group symmetries are presented and an analysis methodology is developed and applied to identify crystallographic relationships, indicated by clusters in the misorientation space, in examples from materials science and geology. This analysis aids the determination of active deformation mechanisms and evaluation of cluster centres and spread enables more accurate description of transformation processes supporting arguments regarding provenance.

Aero-Mechanical Design Methodology for Subsonic Civil Transport High-Lift Systems

NASA Technical Reports Server (NTRS)

vanDam, C. P.; Shaw, S. G.; VanderKam, J. C.; Brodeur, R. R.; Rudolph, P. K. C.; Kinney, D.

2000-01-01

In today's highly competitive and economically driven commercial aviation market, the trend is to make aircraft systems simpler and to shorten their design cycle which reduces recurring, non-recurring and operating costs. One such system is the high-lift system. A methodology has been developed which merges aerodynamic data with kinematic analysis of the trailing-edge flap mechanism with minimum mechanism definition required. This methodology provides quick and accurate aerodynamic performance prediction for a given flap deployment mechanism early on in the high-lift system preliminary design stage. Sample analysis results for four different deployment mechanisms are presented as well as descriptions of the aerodynamic and mechanism data required for evaluation. Extensions to interactive design capabilities are also discussed.

Monte Carlo simulation of portal dosimetry on a rectilinear voxel geometry: a variable gantry angle solution.

PubMed

Chin, P W; Spezi, E; Lewis, D G

2003-08-21

A software solution has been developed to carry out Monte Carlo simulations of portal dosimetry using the BEAMnrc/DOSXYZnrc code at oblique gantry angles. The solution is based on an integrated phantom, whereby the effect of incident beam obliquity was included using geometric transformations. Geometric transformations are accurate within +/- 1 mm and +/- 1 degrees with respect to exact values calculated using trigonometry. An application in portal image prediction of an inhomogeneous phantom demonstrated good agreement with measured data, where the root-mean-square of the difference was under 2% within the field. Thus, we achieved a dose model framework capable of handling arbitrary gantry angles, voxel-by-voxel phantom description and realistic particle transport throughout the geometry.

Chronology of Fluctuating Sea Levels since the Triassic

NASA Astrophysics Data System (ADS)

Haq, Bilal U.; Hardenbol, Jan; Vail, Peter R.

1987-03-01

Advances in sequence stratigraphy and the development of depositional models have helped explain the origin of genetically related sedimentary packages during sea level cycles. These concepts have provided the basis for the recognition of sea level events in subsurface data and in outcrops of marine sediments around the world. Knowledge of these events has led to a new generation of Mesozoic and Cenozoic global cycle charts that chronicle the history of sea level fluctuations during the past 250 million years in greater detail than was possible from seismic-stratigraphic data alone. An effort has been made to develop a realistic and accurate time scale and widely applicable chronostratigraphy and to integrate depositional sequences documented in public domain outcrop sections from various basins with this chronostratigraphic frame-work. A description of this approach and an account of the results, illustrated by sea level cycle charts of the Cenozoic, Cretaceous, Jurassic, and Triassic intervals, are presented.

Ontogeny of the digestive system of the Octopus bimaculatus paralarvae (Verril, 1883).

PubMed

López-Peraza, Diana Judith; Hernández-Rodríguez, Mónica; Barón-Sevilla, Benjamín

2014-01-01

The high mortalities registered in the larval stage during octopus culturing are mainly due to nutritional deficiencies of the food provided. To understand the cause of this problem, we studied the ontogenetic development of the digestive system of Octopus bimaculatus paralarvae. An egg batch was obtained from a gravid female collected in the Bay of Los Angeles, Baja California, Mexico, and it was incubated in the laboratory during the summer of 2011. We observed that the formation of the digestive system began at 33 days post-laying (DPL). The newly hatched paralarvae had already formed the organs involved in food ingestion and digestion, although it was not possible to know accurately their degree of maturity. The present research constitutes the first description at the histological level of the ontogenic development of the digestive system of the O. bimaculatus paralarvae. This serves as a basis for future studies of the digestive physiology of this species.

Advances in Numerical Boundary Conditions for Computational Aeroacoustics

NASA Technical Reports Server (NTRS)

Tam, Christopher K. W.

1997-01-01

Advances in Computational Aeroacoustics (CAA) depend critically on the availability of accurate, nondispersive, least dissipative computation algorithm as well as high quality numerical boundary treatments. This paper focuses on the recent developments of numerical boundary conditions. In a typical CAA problem, one often encounters two types of boundaries. Because a finite computation domain is used, there are external boundaries. On the external boundaries, boundary conditions simulating the solution outside the computation domain are to be imposed. Inside the computation domain, there may be internal boundaries. On these internal boundaries, boundary conditions simulating the presence of an object or surface with specific acoustic characteristics are to be applied. Numerical boundary conditions, both external or internal, developed for simple model problems are reviewed and examined. Numerical boundary conditions for real aeroacoustic problems are also discussed through specific examples. The paper concludes with a description of some much needed research in numerical boundary conditions for CAA.

A quantitative description for efficient financial markets

NASA Astrophysics Data System (ADS)

Immonen, Eero

2015-09-01

In this article we develop a control system model for describing efficient financial markets. We define the efficiency of a financial market in quantitative terms by robust asymptotic price-value equality in this model. By invoking the Internal Model Principle of robust output regulation theory we then show that under No Bubble Conditions, in the proposed model, the market is efficient if and only if the following conditions hold true: (1) the traders, as a group, can identify any mispricing in asset value (even if no one single trader can do it accurately), and (2) the traders, as a group, incorporate an internal model of the value process (again, even if no one single trader knows it). This main result of the article, which deliberately avoids the requirement for investor rationality, demonstrates, in quantitative terms, that the more transparent the markets are, the more efficient they are. An extensive example is provided to illustrate the theoretical development.

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

Haq, B.U.; Hardenbol, J.; Vail, P.R.

Advances in sequence stratigraphy and the development of depositional models have helped explain the origin of genetically related sedimentary packages during sea level cycles. These concepts have provided the basis for the recognition of sea level events in subsurface data and in outcrops of marine sediments around the world. Knowledge of these events has led to a new generation of Mesozoic and Cenozoic global cycle charts that chronicle the history of sea level fluctuations during the past 250 million years in greater detail than was possible from seismic-stratigraphic data alone. An effort has been made to develop a realistic andmore » accurate time scale and widely applicable chronostratigraphy and to integrate depositional sequences documented in public domain outcrop sections from various basins with this chronostratigraphic framework. A description of this approach and an account of the results, illustrated by sea level cycle charts of the Cenozoic, Cretaceous, Jurassic, and Triassic intervals, are presented.« less

Shingle 2.0: generalising self-consistent and automated domain discretisation for multi-scale geophysical models

NASA Astrophysics Data System (ADS)

Candy, Adam S.; Pietrzak, Julie D.

2018-01-01

The approaches taken to describe and develop spatial discretisations of the domains required for geophysical simulation models are commonly ad hoc, model- or application-specific, and under-documented. This is particularly acute for simulation models that are flexible in their use of multi-scale, anisotropic, fully unstructured meshes where a relatively large number of heterogeneous parameters are required to constrain their full description. As a consequence, it can be difficult to reproduce simulations, to ensure a provenance in model data handling and initialisation, and a challenge to conduct model intercomparisons rigorously. This paper takes a novel approach to spatial discretisation, considering it much like a numerical simulation model problem of its own. It introduces a generalised, extensible, self-documenting approach to carefully describe, and necessarily fully, the constraints over the heterogeneous parameter space that determine how a domain is spatially discretised. This additionally provides a method to accurately record these constraints, using high-level natural language based abstractions that enable full accounts of provenance, sharing, and distribution. Together with this description, a generalised consistent approach to unstructured mesh generation for geophysical models is developed that is automated, robust and repeatable, quick-to-draft, rigorously verified, and consistent with the source data throughout. This interprets the description above to execute a self-consistent spatial discretisation process, which is automatically validated to expected discrete characteristics and metrics. Library code, verification tests, and examples available in the repository at https://github.com/shingleproject/Shingle. Further details of the project presented at http://shingleproject.org.

Developing a short form of the simple Rathus assertiveness schedule using a sample of adults with sickle cell disease.

PubMed

Jenerette, Coretta; Dixon, Jane

2010-10-01

Ethnic and cultural norms influence an individual's assertiveness. In health care, assertiveness may play an important role in health outcomes, especially for predominantly minority populations, such as adults with sickle cell disease. Therefore, it is important to develop measures to accurately assess assertiveness. It is also important to reduce response burden of lengthy instruments while retaining instrument reliability and validity. The purpose of this article is to describe development of a shorter version of the Simple Rathus Assertiveness Schedule (SRAS). Data from a cross-sectional descriptive study of adults with sickle cell disease were used to construct a short form of the SRAS, guided by stepwise regression analysis. The 19-item Simple Rathus Assertiveness Scale-Short Form (SRAS-SF) had acceptable reliability (α = .81) and construct validity and was highly correlated with the SRAS (r = .98, p = .01). The SRAS-SF reduces response burden, while maintaining reliability and validity.

Analytical description of changes in the magnetic states of chromium-nickel steel under uniaxial elastic deformation

NASA Astrophysics Data System (ADS)

Gorkunov, E. S.; Yakushenko, E. I.; Zadvorkin, S. M.; Mushnikov, A. N.

2017-12-01

Dependences of magnetization and magnetic permeability of the 15KhN4D structural steel on the value of uniaxial stresses and magnetic field strength are obtained. A polynomial approximation fairly accurately describing the observed changes is proposed on the basis of experimental data.

Research and Scholarship in the Two-Year College

ERIC Educational Resources Information Center

Teaching English in the Two-Year College, 2011

2011-01-01

This article opens with statements excerpted from reports written by the MLA Committee on Community Colleges. These statements present an accurate description of the work of community college faculty: teaching (face-to-face and online), and a commitment to student learning form the basis of the community college mission. Faculty are recognized…

Compromised Structures: Verbal Descriptions of Mechanism Diagrams

ERIC Educational Resources Information Center

Bhattacharyya, Gautam; Harris, Michael S.

2018-01-01

We report our research of seven pairs of students enrolled in the second semester of sophomore-level organic chemistry as they attempted to describe (in their own words) and draw, respectively, three electron-pushing diagrams of three-step reaction mechanisms. The tasks' objective was to accurately reproduce the diagrams based solely on the…

PBPK Models, BBDR Models, and Virtual Tissues: How Will They Contribute to the Use of Toxicity Pathways in Risk Assessment?

EPA Science Inventory

Accuracy in risk assessment, which is desirable in order to ensure protection of the public health while avoiding over-regulation of economically-important substances, requires quantitatively accurate, in vivo descriptions of dose-response and time-course behaviors. This level of...

The Physical State of the Universe in the Planck Era

NASA Astrophysics Data System (ADS)

Riggs, Peter J.

2018-06-01

The Planck Era cannot be given an accurate mathematical description until the full theory of quantum gravity is available. However, some aspects of the physical state of the Planck Era can be revealed by order of the magnitude considerations which also have implications for the low entropy of the very early universe.

Revision of Canadian Eurytomidae (Hymenoptera, Chalcidoidea) associated with galls induced by cynipid wasps of the genus Diplolepis Geoffroy (Hymenoptera, Cynipidae)

USDA-ARS?s Scientific Manuscript database

Eurytomids are small parasitic wasps associated with many communities of phytophagous insects. In most cases, the accurate identification of eurytomids is impeded by inadequate species descriptions that do not include figures of diagnostic features, and keys that are difficult to use. Here, diagnost...

Quantum Monte Carlo Methods for First Principles Simulation of Liquid Water

ERIC Educational Resources Information Center

Gergely, John Robert

2009-01-01

Obtaining an accurate microscopic description of water structure and dynamics is of great interest to molecular biology researchers and in the physics and quantum chemistry simulation communities. This dissertation describes efforts to apply quantum Monte Carlo methods to this problem with the goal of making progress toward a fully "ab initio"…

Experimenter Prestige and Feedback Related to Acceptance of Genuine Personality Interpretations and Self-Attitude

ERIC Educational Resources Information Center

Bradley, Gifford W.; Bradley, Laurence A.

1977-01-01

It was found that (a) subjects in all conditions rated the interpretations as being fairly accurate descriptions of their personalities; (b) the acceptance of the feedback did not vary as a function of experimenter prestige; and (c) receiving personality feedback had no effects on subjects' self-attitudes. (Author/MV)

Helium Speech: An Application of Standing Waves

ERIC Educational Resources Information Center

Wentworth, Christopher D.

2011-01-01

Taking a breath of helium gas and then speaking or singing to the class is a favorite demonstration for an introductory physics course, as it usually elicits appreciative laughter, which serves to energize the class session. Students will usually report that the helium speech "raises the frequency" of the voice. A more accurate description of the…

19 CFR 145.11 - Declarations of value and invoices.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 19 Customs Duties 2 2010-04-01 2010-04-01 false Declarations of value and invoices. 145.11 Section... value and invoices. (a) Customs declaration. A clear and complete Customs declaration on the form provided by the foreign post office, giving a full and accurate description of the contents and value of...

Descriptive and Criterion-Referenced Self-Assessment with L2 Readers

ERIC Educational Resources Information Center

Brantmeier, Cindy; Vanderplank, Robert

2008-01-01

Brantmeier [Brantmeier, C., 2006. "Advanced L2 learners and reading placement: self-assessment, computer-based testing, and subsequent performance." 'System 34" (1), 15-35] found that self-assessment (SA) of second language (L2) reading ability is not an accurate predictor for computer-based testing or subsequent classroom performance. With 359…

Cost Accounting and Accountability: One Approach.

ERIC Educational Resources Information Center

Gingold, William

This paper outlines an approach designed to provide an accurate and efficient cost accounting system for use in schools and other social service organizations. In his discussion, the author presents a detailed step-by-step description of how to establish, plan, and operate the system. The basic element of the system is the Daily Event Record…

Sensory interaction and descriptions of fabric hand.

PubMed

Burns, L D; Chandler, J; Brown, D M; Cameron, B; Dallas, M J

1995-08-01

82 subjects who viewed and felt fabrics (sensory interaction group) used different categories of terms to describe fabric hand than did 38 subjects who only felt the fabrics. Therefore, the methods used to measure fabric hand that isolate the senses may not accurately assess the way in which subjects describe fabric hand in nonlaboratory settings.

Trends in OMR Techniques and Equipment.

ERIC Educational Resources Information Center

Ward, Obie; Poulos, Cynthia

Various aspects of the Optical Mark Reader (OMR) used by the Atlanta Public School System are discussed. First considered are the required features of the OMR scanner. Following this, methods of motivating users to record data accurately are described. Finally, a description of how forms are designed for the convenience of users is provided. (PB)

Instrument Description: The Total Solar Irradiance Monitor on the FY-3C Satellite, an Instrument with a Pointing System

NASA Astrophysics Data System (ADS)

Wang, Hongrui; Wang, Yupeng; Ye, Xin; Yang, Dongjun; Wang, Kai; Li, Huiduan; Fang, Wei

2017-01-01

The Total Solar Irradiance Monitor (TSIM) onboard the nadir Feng Yun-3C (FY-3C) satellite provides measurements of the total solar irradiance with accurate solar tracking and sound thermal stability of its heat sink. TSIM/FY-3C mainly consists of the pointing system, the radiometer package, the thermal control system, and the electronics. Accurate solar tracking is achieved by the pointing system, which greatly improves the science data quality when compared with the previous TSIM/FY-3A and TSIM/FY-3B. The total solar irradiance (TSI) is recorded by TSIM/FY-3C about 26 times each day, using a two-channel radiometer package. One channel is used to perform routine observation, and the other channel is used to monitor the degradation of the cavity detector in the routine channel. From the results of the ground test, the incoming irradiance is measured by the routine channel (AR1) with a relative uncertainty of 592 ppm. A general description of the TSIM, including the instrument modules, uncertainty evaluation, and its operation, is given in this article.

An unconditionally stable method for numerically solving solar sail spacecraft equations of motion

NASA Astrophysics Data System (ADS)

Karwas, Alex

Solar sails use the endless supply of the Sun's radiation to propel spacecraft through space. The sails use the momentum transfer from the impinging solar radiation to provide thrust to the spacecraft while expending zero fuel. Recently, the first solar sail spacecraft, or sailcraft, named IKAROS completed a successful mission to Venus and proved the concept of solar sail propulsion. Sailcraft experimental data is difficult to gather due to the large expenses of space travel, therefore, a reliable and accurate computational method is needed to make the process more efficient. Presented in this document is a new approach to simulating solar sail spacecraft trajectories. The new method provides unconditionally stable numerical solutions for trajectory propagation and includes an improved physical description over other methods. The unconditional stability of the new method means that a unique numerical solution is always determined. The improved physical description of the trajectory provides a numerical solution and time derivatives that are continuous throughout the entire trajectory. The error of the continuous numerical solution is also known for the entire trajectory. Optimal control for maximizing thrust is also provided within the framework of the new method. Verification of the new approach is presented through a mathematical description and through numerical simulations. The mathematical description provides details of the sailcraft equations of motion, the numerical method used to solve the equations, and the formulation for implementing the equations of motion into the numerical solver. Previous work in the field is summarized to show that the new approach can act as a replacement to previous trajectory propagation methods. A code was developed to perform the simulations and it is also described in this document. Results of the simulations are compared to the flight data from the IKAROS mission. Comparison of the two sets of data show that the new approach is capable of accurately simulating sailcraft motion. Sailcraft and spacecraft simulations are compared to flight data and to other numerical solution techniques. The new formulation shows an increase in accuracy over a widely used trajectory propagation technique. Simulations for two-dimensional, three-dimensional, and variable attitude trajectories are presented to show the multiple capabilities of the new technique. An element of optimal control is also part of the new technique. An additional equation is added to the sailcraft equations of motion that maximizes thrust in a specific direction. A technical description and results of an example optimization problem are presented. The spacecraft attitude dynamics equations take the simulation a step further by providing control torques using the angular rate and acceleration outputs of the numerical formulation.

Construction and application of a new dual-hybrid random phase approximation.

PubMed

Mezei, Pál D; Csonka, Gábor I; Ruzsinszky, Adrienn; Kállay, Mihály

2015-10-13

The direct random phase approximation (dRPA) combined with Kohn-Sham reference orbitals is among the most promising tools in computational chemistry and applicable in many areas of chemistry and physics. The reason for this is that it scales as N(4) with the system size, which is a considerable advantage over the accurate ab initio wave function methods like standard coupled-cluster. dRPA also yields a considerably more accurate description of thermodynamic and electronic properties than standard density-functional theory methods. It is also able to describe strong static electron correlation effects even in large systems with a small or vanishing band gap missed by common single-reference methods. However, dRPA has several flaws due to its self-correlation error. In order to obtain accurate and precise reaction energies, barriers and noncovalent intra- and intermolecular interactions, we construct a new dual-hybrid dRPA (hybridization of exact and semilocal exchange in both the energy and the orbitals) and test the performance of this new functional on isogyric, isodesmic, hypohomodesmotic, homodesmotic, and hyperhomodesmotic reaction classes. We also use a test set of 14 Diels-Alder reactions, six atomization energies (AE6), 38 hydrocarbon atomization energies, and 100 reaction barrier heights (DBH24, HT-BH38, and NHT-BH38). For noncovalent complexes, we use the NCCE31 and S22 test sets. To test the intramolecular interactions, we use a set of alkane, cysteine, phenylalanine-glycine-glycine tripeptide, and monosaccharide conformers. We also discuss the delocalization and static correlation errors. We show that a universally accurate description of chemical properties can be provided by a large, 75% exact exchange mixing both in the calculation of the reference orbitals and the final energy.

Consonant acquisition in the Malay language: a cross-sectional study of preschool aged Malay children.

PubMed

Phoon, Hooi San; Abdullah, Anna Christina; Lee, Lay Wah; Murugaiah, Puvaneswary

2014-05-01

To date, there has been little research done on phonological acquisition in the Malay language of typically developing Malay-speaking children. This study serves to fill this gap by providing a systematic description of Malay consonant acquisition in a large cohort of preschool-aged children between 4- and 6-years-old. In the study, 326 Malay-dominant speaking children were assessed using a picture naming task that elicited 53 single words containing all the primary consonants in Malay. Two main analyses were conducted to study their consonant acquisition: (1) age of customary and mastery production of consonants; and (2) consonant accuracy. Results revealed that Malay children acquired all the syllable-initial and syllable-final consonants before 4;06-years-old, with the exception of syllable-final /s/, /h/ and /l/ which were acquired after 5;06-years-old. The development of Malay consonants increased gradually from 4- to 6 years old, with female children performing better than male children. The accuracy of consonants based on manner of articulation showed that glides, affricates, nasals, and stops were higher than fricatives and liquids. In general, syllable-initial consonants were more accurate than syllable-final consonants while consonants in monosyllabic and disyllabic words were more accurate than polysyllabic words. These findings will provide significant information for speech-language pathologists for assessing Malay-speaking children and designing treatment objectives that reflect the course of phonological development in Malay.

Towards Accurate Application Characterization for Exascale (APEX)

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

Hammond, Simon David

Sandia National Laboratories has been engaged in hardware and software codesign activities for a number of years, indeed, it might be argued that prototyping of clusters as far back as the CPLANT machines and many large capability resources including ASCI Red and RedStorm were examples of codesigned solutions. As the research supporting our codesign activities has moved closer to investigating on-node runtime behavior a nature hunger has grown for detailed analysis of both hardware and algorithm performance from the perspective of low-level operations. The Application Characterization for Exascale (APEX) LDRD was a project concieved of addressing some of these concerns.more » Primarily the research was to intended to focus on generating accurate and reproducible low-level performance metrics using tools that could scale to production-class code bases. Along side this research was an advocacy and analysis role associated with evaluating tools for production use, working with leading industry vendors to develop and refine solutions required by our code teams and to directly engage with production code developers to form a context for the application analysis and a bridge to the research community within Sandia. On each of these accounts significant progress has been made, particularly, as this report will cover, in the low-level analysis of operations for important classes of algorithms. This report summarizes the development of a collection of tools under the APEX research program and leaves to other SAND and L2 milestone reports the description of codesign progress with Sandia’s production users/developers.« less

Singaporean Mothers’ Perception of Their Three-year-old Child’s Weight Status: A Cross-Sectional Study

PubMed Central

Cheung, Yin Bun; Chan, Jerry Kok Yen; Tint, Mya Thway; Godfrey, Keith M.; Gluckman, Peter D.; Kwek, Kenneth; Saw, Seang Mei; Chong, Yap-Seng; Lee, Yung Seng; Yap, Fabian; Lek, Ngee

2016-01-01

Objective Inaccurate parental perception of their child’s weight status is commonly reported in Western countries. It is unclear whether similar misperception exists in Asian populations. This study aimed to evaluate the ability of Singaporean mothers to accurately describe their three-year-old child’s weight status verbally and visually. Methods At three years post-delivery, weight and height of the children were measured. Body mass index (BMI) was calculated and converted into actual weight status using International Obesity Task Force criteria. The mothers were blinded to their child’s measurements and asked to verbally and visually describe what they perceived was their child’s actual weight status. Agreement between actual and described weight status was assessed using Cohen’s Kappa statistic (κ). Results Of 1237 recruited participants, 66.4% (n = 821) with complete data on mothers’ verbal and visual perceptions and children’s anthropometric measurements were analysed. Nearly thirty percent of the mothers were unable to describe their child’s weight status accurately. In verbal description, 17.9% under-estimated and 11.8% over-estimated their child’s weight status. In visual description, 10.4% under-estimated and 19.6% over-estimated their child’s weight status. Many mothers of underweight children over-estimated (verbal 51.6%; visual 88.8%), and many mothers of overweight and obese children under-estimated (verbal 82.6%; visual 73.9%), their child’s weight status. In contrast, significantly fewer mothers of normal-weight children were inaccurate (verbal 16.8%; visual 8.8%). Birth order (p<0.001), maternal (p = 0.004) and child’s weight status (p<0.001) were associated with consistently inaccurate verbal and visual descriptions. Conclusions Singaporean mothers, especially those of underweight and overweight children, may not be able to perceive their young child’s weight status accurately. To facilitate prevention of childhood obesity, educating parents and caregivers about their child’s weight status is needed. PMID:26820665

The methodological quality of nurse-sensitive indicators in Dutch hospitals: A descriptive exploratory research study.

PubMed

Kieft, R A M M; Stalpers, D; Jansen, A P M; Francke, A L; Delnoij, D M J

2018-06-01

Nurse-sensitive indicators (NSIs) are increasingly being developed and used to establish quality of nursing care in Western countries. The objective was to gain insights into the methodological quality of mandatory NSIs in Dutch hospitals, including indicators for pain, wound care, malnutrition and delirium. A descriptive exploratory design was used, starting with desk research into publicly available documents and reports describing the development of the NSIs included in this study. We used the validated Appraisal of Indicators through Research and Evaluation (AIRE) instrument to evaluate the methodological quality. Although the purpose and relevance of each individual NSI have been described, no detailed information about the criteria for selecting these topics is available. It is not clear which specific stakeholders participated and how their input was used. We found no information about the process of collecting and compiling scientific evidence. It is unclear whether and to what extent the usability of NSIs has been tested. The methodological quality of NSIs used in Dutch hospitals is less than optimal in various ways and it is therefore questionable if the indicators are accurate enough to identify changes or improve nursing practice. Our study also provides an example of how the methodological quality of NSIs can be assessed systematically, which is relevant considering the increasing use of NSIs in various countries. Copyright © 2018 Elsevier B.V. All rights reserved.

Protein-Protein Interactions Prediction Using a Novel Local Conjoint Triad Descriptor of Amino Acid Sequences

PubMed Central

Zhang, Long; Jia, Lianyin; Ren, Yazhou

2017-01-01

Protein-protein interactions (PPIs) play crucial roles in almost all cellular processes. Although a large amount of PPIs have been verified by high-throughput techniques in the past decades, currently known PPIs pairs are still far from complete. Furthermore, the wet-lab experiments based techniques for detecting PPIs are time-consuming and expensive. Hence, it is urgent and essential to develop automatic computational methods to efficiently and accurately predict PPIs. In this paper, a sequence-based approach called DNN-LCTD is developed by combining deep neural networks (DNNs) and a novel local conjoint triad description (LCTD) feature representation. LCTD incorporates the advantage of local description and conjoint triad, thus, it is capable to account for the interactions between residues in both continuous and discontinuous regions of amino acid sequences. DNNs can not only learn suitable features from the data by themselves, but also learn and discover hierarchical representations of data. When performing on the PPIs data of Saccharomyces cerevisiae, DNN-LCTD achieves superior performance with accuracy as 93.12%, precision as 93.75%, sensitivity as 93.83%, area under the receiver operating characteristic curve (AUC) as 97.92%, and it only needs 718 s. These results indicate DNN-LCTD is very promising for predicting PPIs. DNN-LCTD can be a useful supplementary tool for future proteomics study. PMID:29117139

RenderView: physics-based multi- and hyperspectral rendering using measured background panoramics

NASA Astrophysics Data System (ADS)

Talcott, Denise M.; Brown, Wade W.; Thomas, David J.

2003-09-01

As part of the survivability engineering process it is necessary to accurately model and visualize the vehicle signatures in multi- or hyperspectral bands of interest. The signature at a given wavelength is a function of the surface optical properties, reflection of the background and, in the thermal region, the emission of thermal radiation. Currently, it is difficult to obtain and utilize background models that are of sufficient fidelity when compared with the vehicle models. In addition, the background models create an additional layer of uncertainty in estimating the vehicles signature. Therefore, to meet exacting rendering requirements we have developed RenderView, which incorporates the full bidirectional reflectance distribution function (BRDF). Instead of using a modeled background we have incorporated a measured calibrated background panoramic image to provide the high fidelity background interaction. Uncertainty in the background signature is reduced to the error in the measurement which is considerably smaller than the uncertainty inherent in a modeled background. RenderView utilizes a number of different descriptions of the BRDF, including the Sandford-Robertson. In addition, it provides complete conservation of energy with off axis sampling. A description of RenderView will be presented along with a methodology developed for collecting background panoramics. Examples of the RenderView output and the background panoramics will be presented along with our approach to handling the solar irradiance problem.

Evaluation of Terrestrial Carbon Cycle with the Land Use Harmonization Dataset

NASA Astrophysics Data System (ADS)

Sasai, T.; Nemani, R. R.

2017-12-01

CO2 emission by land use and land use change (LULUC) has still had a large uncertainty (±50%). We need to more accurately reveal a role of each LULUC process on terrestrial carbon cycle, and to develop more complicated land cover change model, leading to improve our understanding of the mechanism of global warming. The existing biosphere model studies do not necessarily have enough major LULUC process in the model description (e.g., clear cutting and residual soil carbon). The issue has the potential for causing an underestimation of the effect of LULUC on the global carbon exchange. In this study, the terrestrial biosphere model was modified with several LULUC processes according to the land use harmonization data set. The global mean LULUC emission from the year 1850 to 2000 was 137.2 (PgC 151year-1), and we found the noticeable trend in tropical region. As with the case of primary production in the existing studies, our results emphasized the role of tropical forest on wood productization and residual soil organic carbon by cutting. Global mean NEP was decreased by LULUC. NEP is largely affected by decreasing leaf biomass (photosynthesis) by deforestation process and increasing plant growth rate by regrowth process. We suggested that the model description related to deforestation, residual soil decomposition, wood productization and plant regrowth is important to develop a biosphere model for estimating long-term global carbon cycle.

Protein-Protein Interactions Prediction Using a Novel Local Conjoint Triad Descriptor of Amino Acid Sequences.

PubMed

Wang, Jun; Zhang, Long; Jia, Lianyin; Ren, Yazhou; Yu, Guoxian

2017-11-08

Protein-protein interactions (PPIs) play crucial roles in almost all cellular processes. Although a large amount of PPIs have been verified by high-throughput techniques in the past decades, currently known PPIs pairs are still far from complete. Furthermore, the wet-lab experiments based techniques for detecting PPIs are time-consuming and expensive. Hence, it is urgent and essential to develop automatic computational methods to efficiently and accurately predict PPIs. In this paper, a sequence-based approach called DNN-LCTD is developed by combining deep neural networks (DNNs) and a novel local conjoint triad description (LCTD) feature representation. LCTD incorporates the advantage of local description and conjoint triad, thus, it is capable to account for the interactions between residues in both continuous and discontinuous regions of amino acid sequences. DNNs can not only learn suitable features from the data by themselves, but also learn and discover hierarchical representations of data. When performing on the PPIs data of Saccharomyces cerevisiae , DNN-LCTD achieves superior performance with accuracy as 93.12%, precision as 93.75%, sensitivity as 93.83%, area under the receiver operating characteristic curve (AUC) as 97.92%, and it only needs 718 s. These results indicate DNN-LCTD is very promising for predicting PPIs. DNN-LCTD can be a useful supplementary tool for future proteomics study.

Cool Quark Matter.

PubMed

Kurkela, Aleksi; Vuorinen, Aleksi

2016-07-22

We generalize the state-of-the-art perturbative equation of state of cold quark matter to nonzero temperatures, needed in the description of neutron star mergers and core collapse processes. The new result is accurate to O(g^{5}) in the gauge coupling, and is based on a novel framework for dealing with the infrared sensitive soft field modes of the theory. The zero Matsubara mode sector is treated via a dimensionally reduced effective theory, while the soft nonzero modes are resummed using the hard thermal loop approximation. This combination of known effective descriptions offers unprecedented access to small but nonzero temperatures, both in and out of beta equilibrium.

Application of artificial neural networks to composite ply micromechanics

NASA Technical Reports Server (NTRS)

Brown, D. A.; Murthy, P. L. N.; Berke, L.

1991-01-01

Artificial neural networks can provide improved computational efficiency relative to existing methods when an algorithmic description of functional relationships is either totally unavailable or is complex in nature. For complex calculations, significant reductions in elapsed computation time are possible. The primary goal is to demonstrate the applicability of artificial neural networks to composite material characterization. As a test case, a neural network was trained to accurately predict composite hygral, thermal, and mechanical properties when provided with basic information concerning the environment, constituent materials, and component ratios used in the creation of the composite. A brief introduction on neural networks is provided along with a description of the project itself.

The Six-Component Wind Balance

NASA Technical Reports Server (NTRS)

Zahm, A F

1923-01-01

Dr. Zahm's report is a description of the six-component wind-tunnel balance in use at the Aerodynamic Laboratory, Washington Navy Yard. The description of the balance gives the mechanical details and the method of operation, and is accompanied by line drawings showing the construction of the balance. The balance is of particular interest, as it allows the model to be set up quickly and accurately in roll, pitch, and yaw, without stopping the wind. It is possible to measure automatically, directly, and independently the drag, cross-wind force, and lift; also the rolling, pitching, and yawing moments. It is also possible to make the balance self-recording.

Major Source of Error in QSPR Prediction of Intrinsic Thermodynamic Solubility of Drugs: Solid vs Nonsolid State Contributions?

PubMed

Abramov, Yuriy A

2015-06-01

The main purpose of this study is to define the major limiting factor in the accuracy of the quantitative structure-property relationship (QSPR) models of the thermodynamic intrinsic aqueous solubility of the drug-like compounds. For doing this, the thermodynamic intrinsic aqueous solubility property was suggested to be indirectly "measured" from the contributions of solid state, ΔGfus, and nonsolid state, ΔGmix, properties, which are estimated by the corresponding QSPR models. The QSPR models of ΔGfus and ΔGmix properties were built based on a set of drug-like compounds with available accurate measurements of fusion and thermodynamic solubility properties. For consistency ΔGfus and ΔGmix models were developed using similar algorithms and descriptor sets, and validated against the similar test compounds. Analysis of the relative performances of these two QSPR models clearly demonstrates that it is the solid state contribution which is the limiting factor in the accuracy and predictive power of the QSPR models of the thermodynamic intrinsic solubility. The performed analysis outlines a necessity of development of new descriptor sets for an accurate description of the long-range order (periodicity) phenomenon in the crystalline state. The proposed approach to the analysis of limitations and suggestions for improvement of QSPR-type models may be generalized to other applications in the pharmaceutical industry.

Ground state of a confined Yukawa plasma including correlation effects

NASA Astrophysics Data System (ADS)

Henning, C.; Ludwig, P.; Filinov, A.; Piel, A.; Bonitz, M.

2007-09-01

The ground state of an externally confined one-component Yukawa plasma is derived analytically using the local density approximation (LDA). In particular, the radial density profile is computed. The results are compared with the recently obtained mean-field (MF) density profile [Henning , Phys. Rev. E 74, 056403 (2006)]. While the MF results are more accurate for weak screening, the LDA with correlations included yields the proper description for large screening. By comparison with first-principles simulations for three-dimensional spherical Yukawa crystals, we demonstrate that the two approximations complement each other. Together they accurately describe the density profile in the full range of screening parameters.

ACOG Committee Opinion No. 510: Ethical ways for physicians to market a practice.

PubMed

2011-11-01

It is ethical for physicians to market their practices provided that the communication is truthful and not misleading, deceptive, or discriminatory. All paid advertising must be clearly identified as such. Producing fair and accurate advertising of medical practices and services can be challenging. It often is difficult to include detailed information because of cost and size restrictions or the limitations of the media form that has been selected. If the specific advertising form does not lend itself to clear and accurate description, an alternative media format should be selected. Advertising that seeks to denigrate the competence of other individual professionals or group practices is always unethical.

Including screening in van der Waals corrected density functional theory calculations: the case of atoms and small molecules physisorbed on graphene.

PubMed

Silvestrelli, Pier Luigi; Ambrosetti, Alberto

2014-03-28

The Density Functional Theory (DFT)/van der Waals-Quantum Harmonic Oscillator-Wannier function (vdW-QHO-WF) method, recently developed to include the vdW interactions in approximated DFT by combining the quantum harmonic oscillator model with the maximally localized Wannier function technique, is applied to the cases of atoms and small molecules (X=Ar, CO, H2, H2O) weakly interacting with benzene and with the ideal planar graphene surface. Comparison is also presented with the results obtained by other DFT vdW-corrected schemes, including PBE+D, vdW-DF, vdW-DF2, rVV10, and by the simpler Local Density Approximation (LDA) and semilocal generalized gradient approximation approaches. While for the X-benzene systems all the considered vdW-corrected schemes perform reasonably well, it turns out that an accurate description of the X-graphene interaction requires a proper treatment of many-body contributions and of short-range screening effects, as demonstrated by adopting an improved version of the DFT/vdW-QHO-WF method. We also comment on the widespread attitude of relying on LDA to get a rough description of weakly interacting systems.

Annotating image ROIs with text descriptions for multimodal biomedical document retrieval

NASA Astrophysics Data System (ADS)

You, Daekeun; Simpson, Matthew; Antani, Sameer; Demner-Fushman, Dina; Thoma, George R.

2013-01-01

Regions of interest (ROIs) that are pointed to by overlaid markers (arrows, asterisks, etc.) in biomedical images are expected to contain more important and relevant information than other regions for biomedical article indexing and retrieval. We have developed several algorithms that localize and extract the ROIs by recognizing markers on images. Cropped ROIs then need to be annotated with contents describing them best. In most cases accurate textual descriptions of the ROIs can be found from figure captions, and these need to be combined with image ROIs for annotation. The annotated ROIs can then be used to, for example, train classifiers that separate ROIs into known categories (medical concepts), or to build visual ontologies, for indexing and retrieval of biomedical articles. We propose an algorithm that pairs visual and textual ROIs that are extracted from images and figure captions, respectively. This algorithm based on dynamic time warping (DTW) clusters recognized pointers into groups, each of which contains pointers with identical visual properties (shape, size, color, etc.). Then a rule-based matching algorithm finds the best matching group for each textual ROI mention. Our method yields a precision and recall of 96% and 79%, respectively, when ground truth textual ROI data is used.

A comparison of multivariate and univariate time series approaches to modelling and forecasting emergency department demand in Western Australia.

PubMed

Aboagye-Sarfo, Patrick; Mai, Qun; Sanfilippo, Frank M; Preen, David B; Stewart, Louise M; Fatovich, Daniel M

2015-10-01

To develop multivariate vector-ARMA (VARMA) forecast models for predicting emergency department (ED) demand in Western Australia (WA) and compare them to the benchmark univariate autoregressive moving average (ARMA) and Winters' models. Seven-year monthly WA state-wide public hospital ED presentation data from 2006/07 to 2012/13 were modelled. Graphical and VARMA modelling methods were used for descriptive analysis and model fitting. The VARMA models were compared to the benchmark univariate ARMA and Winters' models to determine their accuracy to predict ED demand. The best models were evaluated by using error correction methods for accuracy. Descriptive analysis of all the dependent variables showed an increasing pattern of ED use with seasonal trends over time. The VARMA models provided a more precise and accurate forecast with smaller confidence intervals and better measures of accuracy in predicting ED demand in WA than the ARMA and Winters' method. VARMA models are a reliable forecasting method to predict ED demand for strategic planning and resource allocation. While the ARMA models are a closely competing alternative, they under-estimated future ED demand. Copyright © 2015 Elsevier Inc. All rights reserved.

HZETRN: Description of a free-space ion and nucleon transport and shielding computer program

NASA Technical Reports Server (NTRS)

Wilson, John W.; Badavi, Francis F.; Cucinotta, Francis A.; Shinn, Judy L.; Badhwar, Gautam D.; Silberberg, R.; Tsao, C. H.; Townsend, Lawrence W.; Tripathi, Ram K.

1995-01-01

The high-charge-and energy (HZE) transport computer program HZETRN is developed to address the problems of free-space radiation transport and shielding. The HZETRN program is intended specifically for the design engineer who is interested in obtaining fast and accurate dosimetric information for the design and construction of space modules and devices. The program is based on a one-dimensional space-marching formulation of the Boltzmann transport equation with a straight-ahead approximation. The effect of the long-range Coulomb force and electron interaction is treated as a continuous slowing-down process. Atomic (electronic) stopping power coefficients with energies above a few A MeV are calculated by using Bethe's theory including Bragg's rule, Ziegler's shell corrections, and effective charge. Nuclear absorption cross sections are obtained from fits to quantum calculations and total cross sections are obtained with a Ramsauer formalism. Nuclear fragmentation cross sections are calculated with a semiempirical abrasion-ablation fragmentation model. The relation of the final computer code to the Boltzmann equation is discussed in the context of simplifying assumptions. A detailed description of the flow of the computer code, input requirements, sample output, and compatibility requirements for non-VAX platforms are provided.

Calibration of the venµs super-spectral camera

NASA Astrophysics Data System (ADS)

Topaz, Jeremy; Sprecher, Tuvia; Tinto, Francesc; Echeto, Pierre; Hagolle, Olivier

2017-11-01

A high-resolution super-spectral camera is being developed by Elbit Systems in Israel for the joint CNES- Israel Space Agency satellite, VENμS (Vegetation and Environment monitoring on a new Micro-Satellite). This camera will have 12 narrow spectral bands in the Visible/NIR region and will give images with 5.3 m resolution from an altitude of 720 km, with an orbit which allows a two-day revisit interval for a number of selected sites distributed over some two-thirds of the earth's surface. The swath width will be 27 km at this altitude. To ensure the high radiometric and geometric accuracy needed to fully exploit such multiple data sampling, careful attention is given in the design to maximize characteristics such as signal-to-noise ratio (SNR), spectral band accuracy, stray light rejection, inter- band pixel-to-pixel registration, etc. For the same reasons, accurate calibration of all the principle characteristics is essential, and this presents some major challenges. The methods planned to achieve the required level of calibration are presented following a brief description of the system design. A fuller description of the system design is given in [2], [3] and [4].

Economical in situ processing for orbital debris removal

NASA Astrophysics Data System (ADS)

Ramohalli, Kumar

This paper proposes and develops the first description of a novel concept for the removal of large pieces of orbital debris; removing the large ones prevents the future formation of innumerable smaller ones. After a brief discussion of the growing importance of the general problem of orbital debris, the idea of utilizing local resources for clearing the debris is introduced. The fundamental concept revolves around the collection of solar energy via high-tech, light-weight, thermally stable reflectors; concentrating the radiation into highly focused beams; and carefully cutting the debris into accurate pieces that can be further used by the processing craft itself. The unusable parts are stowed behind the reflecting surfaces. At the end of these operations, the craft, with the collected debris, can process itself into a specific "shape" depending on the final disposal mode-either retrieval by the shuttle, splashdown into the ocean, or re-entry for burnup. The propulstion requirements are shown to be reasonable, through three very specific examples, using a quantitative computer animation. A description of the initial (manual, at this stage) terrestrially working hardware and future projections for this Autonomous Space Processor for Orbital Debris conclude this paper.

False memory in aging resulting from self-referential processing.

PubMed

Rosa, Nicole M; Gutchess, Angela H

2013-11-01

Referencing the self is known to enhance accurate memory, but less is known about how the strategy affects false memory, particularly for highly self-relevant information. Because older adults are more prone to false memories, we tested whether self-referencing increased false memories with age. In 2 studies, older and younger adults rated adjectives for self-descriptiveness and later completed a surprise recognition test comprised of words rated previously for self-descriptiveness and novel lure words. Lure words were subsequently rated for self-descriptiveness in order to assess the impact of self-relevance on false memory. Study 2 introduced commonness judgments as a control condition, such that participants completed a recognition test on adjectives rated for commonness in addition to adjectives in the self-descriptiveness condition. Across both studies, findings indicate an increased response bias to self-referencing that increased hit rates for both older and younger adults but also increased false alarms as information became more self-descriptive, particularly for older adults. Although the present study supports previous literature showing a boost in memory for self-referenced information, the increase in false alarms, especially in older adults, highlights the potential for memory errors, particularly for information that is strongly related to the self.

Improving Written Communication Through Minimal Feedback

PubMed Central

Traxler, Matthew J.; Gernsbacher, Morton Ann

2014-01-01

We propose that writers must form accurate representations of how their readers will interpret their texts to convey their ideas successfully. In two experiments, we investigated whether getting feedback from their readers helps writers form better representations of how their texts are interpreted. In our first experiment, one group of subjects (writers) wrote descriptions of a set of geometric figures; another group of subjects (readers) read those descriptions and used them to select the figures from sets of similar looking distractor figures. Half the writers received feedback on how well their readers selected the figures, and half the writers did not receive this feedback. Those writers who received feedback improved their descriptions more than those writers who did not receive feedback. In our second experiment, half the writers received two treatments of feedback on their descriptions of one set of figures, whereas the other half of the writers did not receive feedback. Then, all the writers described a new set of figures. Those writers who had previously received feedback wrote better new descriptions than did those writers who had never received feedback. We concluded that feedback – even this minimal form of feedback – helps writers to envision how readers interpret their texts. PMID:25520535

Systems Biology Graphical Notation: Process Description language Level 1 Version 1.3.

PubMed

Moodie, Stuart; Le Novère, Nicolas; Demir, Emek; Mi, Huaiyu; Villéger, Alice

2015-09-04

The Systems Biological Graphical Notation (SBGN) is an international community effort for standardized graphical representations of biological pathways and networks. The goal of SBGN is to provide unambiguous pathway and network maps for readers with different scientific backgrounds as well as to support efficient and accurate exchange of biological knowledge between different research communities, industry, and other players in systems biology. Three SBGN languages, Process Description (PD), Entity Relationship (ER) and Activity Flow (AF), allow for the representation of different aspects of biological and biochemical systems at different levels of detail. The SBGN Process Description language represents biological entities and processes between these entities within a network. SBGN PD focuses on the mechanistic description and temporal dependencies of biological interactions and transformations. The nodes (elements) are split into entity nodes describing, e.g., metabolites, proteins, genes and complexes, and process nodes describing, e.g., reactions and associations. The edges (connections) provide descriptions of relationships (or influences) between the nodes, such as consumption, production, stimulation and inhibition. Among all three languages of SBGN, PD is the closest to metabolic and regulatory pathways in biological literature and textbooks, but its well-defined semantics offer a superior precision in expressing biological knowledge.

Children's science learning: A core skills approach.

PubMed

Tolmie, Andrew K; Ghazali, Zayba; Morris, Suzanne

2016-09-01

Research has identified the core skills that predict success during primary school in reading and arithmetic, and this knowledge increasingly informs teaching. However, there has been no comparable work that pinpoints the core skills that underlie success in science. The present paper attempts to redress this by examining candidate skills and considering what is known about the way in which they emerge, how they relate to each other and to other abilities, how they change with age, and how their growth may vary between topic areas. There is growing evidence that early-emerging tacit awareness of causal associations is initially separated from language-based causal knowledge, which is acquired in part from everyday conversation and shows inaccuracies not evident in tacit knowledge. Mapping of descriptive and explanatory language onto causal awareness appears therefore to be a key development, which promotes unified conceptual and procedural understanding. This account suggests that the core components of initial science learning are (1) accurate observation, (2) the ability to extract and reason explicitly about causal connections, and (3) knowledge of mechanisms that explain these connections. Observational ability is educationally inaccessible until integrated with verbal description and explanation, for instance, via collaborative group work tasks that require explicit reasoning with respect to joint observations. Descriptive ability and explanatory ability are further promoted by managed exposure to scientific vocabulary and use of scientific language. Scientific reasoning and hypothesis testing are later acquisitions that depend on this integration of systems and improved executive control. © 2016 The British Psychological Society.

Accurate coarse-grained models for mixtures of colloids and linear polymers under good-solvent conditions

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

D’Adamo, Giuseppe, E-mail: giuseppe.dadamo@sissa.it; Pelissetto, Andrea, E-mail: andrea.pelissetto@roma1.infn.it; Pierleoni, Carlo, E-mail: carlo.pierleoni@aquila.infn.it

2014-12-28

A coarse-graining strategy, previously developed for polymer solutions, is extended here to mixtures of linear polymers and hard-sphere colloids. In this approach, groups of monomers are mapped onto a single pseudoatom (a blob) and the effective blob-blob interactions are obtained by requiring the model to reproduce some large-scale structural properties in the zero-density limit. We show that an accurate parametrization of the polymer-colloid interactions is obtained by simply introducing pair potentials between blobs and colloids. For the coarse-grained (CG) model in which polymers are modelled as four-blob chains (tetramers), the pair potentials are determined by means of the iterative Boltzmannmore » inversion scheme, taking full-monomer (FM) pair correlation functions at zero-density as targets. For a larger number n of blobs, pair potentials are determined by using a simple transferability assumption based on the polymer self-similarity. We validate the model by comparing its predictions with full-monomer results for the interfacial properties of polymer solutions in the presence of a single colloid and for thermodynamic and structural properties in the homogeneous phase at finite polymer and colloid density. The tetramer model is quite accurate for q ≲ 1 (q=R{sup ^}{sub g}/R{sub c}, where R{sup ^}{sub g} is the zero-density polymer radius of gyration and R{sub c} is the colloid radius) and reasonably good also for q = 2. For q = 2, an accurate coarse-grained description is obtained by using the n = 10 blob model. We also compare our results with those obtained by using single-blob models with state-dependent potentials.« less

An assessment of the near-surface accuracy of the international geomagnetic reference field 1980 model of the main geomagnetic field

USGS Publications Warehouse

Peddie, N.W.; Zunde, A.K.

1985-01-01

The new International Geomagnetic Reference Field (IGRF) model of the main geomagnetic field for 1980 is based heavily on measurements from the MAGSAT satellite survey. Assessment of the accuracy of the new model, as a description of the main field near the Earth's surface, is important because the accuracy of models derived from satellite data can be adversely affected by the magnetic field of electric currents in the ionosphere and the auroral zones. Until now, statements about its accuracy have been based on the 6 published assessments of the 2 proposed models from which it was derived. However, those assessments were either regional in scope or were based mainly on preliminary or extrapolated data. Here we assess the near-surface accuracy of the new model by comparing it with values for 1980 derived from annual means from 69 magnetic observatories, and by comparing it with WC80, a model derived from near-surface data. The comparison with observatory-derived data shows that the new model describes the field at the 69 observatories about as accurately as would a model derived solely from near-surface data. The comparison with WC80 shows that the 2 models agree closely in their description of D and I near the surface. These comparisons support the proposition that the new IGRF 1980 main-field model is a generally accurate description of the main field near the Earth's surface in 1980. ?? 1985.

Molecular Modeling of Thermodynamic and Transport Properties for CO 2 and Aqueous Brines

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

Jiang, Hao; Economou, Ioannis G.; Panagiotopoulos, Athanassios Z.

Molecular simulation techniques using classical force-fields occupy the space between ab initio quantum mechanical methods and phenomenological correlations. In particular, Monte Carlo and molecular dynamics algorithms can be used to provide quantitative predictions of thermodynamic and transport properties of fluids relevant for geologic carbon sequestration at conditions for which experimental data are uncertain or not available. These methods can cover time and length scales far exceeding those of quantum chemical methods, while maintaining transferability and predictive power lacking from phenomenological correlations. The accuracy of predictions depends sensitively on the quality of the molecular models used. Many existing fixed-point-charge models formore » water and aqueous mixtures fail to represent accurately these fluid properties, especially when descriptions covering broad ranges of thermodynamic conditions are needed. Recent work on development of accurate models for water, CO 2, and dissolved salts, as well as their mixtures, is summarized in this Account. Polarizable models that can respond to the different dielectric environments in aqueous versus nonaqueous phases are necessary for predictions of properties over extended ranges of temperatures and pressures. Phase compositions and densities, activity coefficients of the dissolved salts, interfacial tensions, viscosities and diffusivities can be obtained in near-quantitative agreement to available experimental data, using relatively modest computational resources. In some cases, for example, for the composition of the CO 2-rich phase in coexistence with an aqueous phase, recent results from molecular simulations have helped discriminate among conflicting experimental data sets. The sensitivity of properties on the quality of the intermolecular interaction model varies significantly. Properties such as the phase compositions or electrolyte activity coefficients are much more sensitive than phase densities, viscosities, or component diffusivities. Strong confinement effects on physical properties in nanoscale media can also be directly obtained from molecular simulations. Future work on molecular modeling for CO 2 and aqueous brines is likely to be focused on more systematic generation of interaction models by utilizing quantum chemical as well as direct experimental measurements. New ion models need to be developed for use with the current generation of polarizable water models, including ion–ion interactions that will allow for accurate description of dense, mixed brines. Methods will need to be devised that go beyond the use of effective potentials for incorporation of quantum effects known to be important for water, and reactive force fields developed that can handle bond creation and breaking in systems with carbonate and silicate minerals. Lastly, another area of potential future work is the integration of molecular simulation methods in multiscale models for the chemical reactions leading to mineral dissolution and flow within the porous media in underground formations.« less

Molecular Modeling of Thermodynamic and Transport Properties for CO2 and Aqueous Brines.

PubMed

Jiang, Hao; Economou, Ioannis G; Panagiotopoulos, Athanassios Z

2017-04-18

Molecular simulation techniques using classical force-fields occupy the space between ab initio quantum mechanical methods and phenomenological correlations. In particular, Monte Carlo and molecular dynamics algorithms can be used to provide quantitative predictions of thermodynamic and transport properties of fluids relevant for geologic carbon sequestration at conditions for which experimental data are uncertain or not available. These methods can cover time and length scales far exceeding those of quantum chemical methods, while maintaining transferability and predictive power lacking from phenomenological correlations. The accuracy of predictions depends sensitively on the quality of the molecular models used. Many existing fixed-point-charge models for water and aqueous mixtures fail to represent accurately these fluid properties, especially when descriptions covering broad ranges of thermodynamic conditions are needed. Recent work on development of accurate models for water, CO 2 , and dissolved salts, as well as their mixtures, is summarized in this Account. Polarizable models that can respond to the different dielectric environments in aqueous versus nonaqueous phases are necessary for predictions of properties over extended ranges of temperatures and pressures. Phase compositions and densities, activity coefficients of the dissolved salts, interfacial tensions, viscosities and diffusivities can be obtained in near-quantitative agreement to available experimental data, using relatively modest computational resources. In some cases, for example, for the composition of the CO 2 -rich phase in coexistence with an aqueous phase, recent results from molecular simulations have helped discriminate among conflicting experimental data sets. The sensitivity of properties on the quality of the intermolecular interaction model varies significantly. Properties such as the phase compositions or electrolyte activity coefficients are much more sensitive than phase densities, viscosities, or component diffusivities. Strong confinement effects on physical properties in nanoscale media can also be directly obtained from molecular simulations. Future work on molecular modeling for CO 2 and aqueous brines is likely to be focused on more systematic generation of interaction models by utilizing quantum chemical as well as direct experimental measurements. New ion models need to be developed for use with the current generation of polarizable water models, including ion-ion interactions that will allow for accurate description of dense, mixed brines. Methods will need to be devised that go beyond the use of effective potentials for incorporation of quantum effects known to be important for water, and reactive force fields developed that can handle bond creation and breaking in systems with carbonate and silicate minerals. Another area of potential future work is the integration of molecular simulation methods in multiscale models for the chemical reactions leading to mineral dissolution and flow within the porous media in underground formations.

Molecular Modeling of Thermodynamic and Transport Properties for CO 2 and Aqueous Brines

DOE PAGES

Jiang, Hao; Economou, Ioannis G.; Panagiotopoulos, Athanassios Z.

2017-02-24

Molecular simulation techniques using classical force-fields occupy the space between ab initio quantum mechanical methods and phenomenological correlations. In particular, Monte Carlo and molecular dynamics algorithms can be used to provide quantitative predictions of thermodynamic and transport properties of fluids relevant for geologic carbon sequestration at conditions for which experimental data are uncertain or not available. These methods can cover time and length scales far exceeding those of quantum chemical methods, while maintaining transferability and predictive power lacking from phenomenological correlations. The accuracy of predictions depends sensitively on the quality of the molecular models used. Many existing fixed-point-charge models formore » water and aqueous mixtures fail to represent accurately these fluid properties, especially when descriptions covering broad ranges of thermodynamic conditions are needed. Recent work on development of accurate models for water, CO 2, and dissolved salts, as well as their mixtures, is summarized in this Account. Polarizable models that can respond to the different dielectric environments in aqueous versus nonaqueous phases are necessary for predictions of properties over extended ranges of temperatures and pressures. Phase compositions and densities, activity coefficients of the dissolved salts, interfacial tensions, viscosities and diffusivities can be obtained in near-quantitative agreement to available experimental data, using relatively modest computational resources. In some cases, for example, for the composition of the CO 2-rich phase in coexistence with an aqueous phase, recent results from molecular simulations have helped discriminate among conflicting experimental data sets. The sensitivity of properties on the quality of the intermolecular interaction model varies significantly. Properties such as the phase compositions or electrolyte activity coefficients are much more sensitive than phase densities, viscosities, or component diffusivities. Strong confinement effects on physical properties in nanoscale media can also be directly obtained from molecular simulations. Future work on molecular modeling for CO 2 and aqueous brines is likely to be focused on more systematic generation of interaction models by utilizing quantum chemical as well as direct experimental measurements. New ion models need to be developed for use with the current generation of polarizable water models, including ion–ion interactions that will allow for accurate description of dense, mixed brines. Methods will need to be devised that go beyond the use of effective potentials for incorporation of quantum effects known to be important for water, and reactive force fields developed that can handle bond creation and breaking in systems with carbonate and silicate minerals. Lastly, another area of potential future work is the integration of molecular simulation methods in multiscale models for the chemical reactions leading to mineral dissolution and flow within the porous media in underground formations.« less

Service-oriented model-encapsulation strategy for sharing and integrating heterogeneous geo-analysis models in an open web environment

NASA Astrophysics Data System (ADS)

Yue, Songshan; Chen, Min; Wen, Yongning; Lu, Guonian

2016-04-01

Earth environment is extremely complicated and constantly changing; thus, it is widely accepted that the use of a single geo-analysis model cannot accurately represent all details when solving complex geo-problems. Over several years of research, numerous geo-analysis models have been developed. However, a collaborative barrier between model providers and model users still exists. The development of cloud computing has provided a new and promising approach for sharing and integrating geo-analysis models across an open web environment. To share and integrate these heterogeneous models, encapsulation studies should be conducted that are aimed at shielding original execution differences to create services which can be reused in the web environment. Although some model service standards (such as Web Processing Service (WPS) and Geo Processing Workflow (GPW)) have been designed and developed to help researchers construct model services, various problems regarding model encapsulation remain. (1) The descriptions of geo-analysis models are complicated and typically require rich-text descriptions and case-study illustrations, which are difficult to fully represent within a single web request (such as the GetCapabilities and DescribeProcess operations in the WPS standard). (2) Although Web Service technologies can be used to publish model services, model users who want to use a geo-analysis model and copy the model service into another computer still encounter problems (e.g., they cannot access the model deployment dependencies information). This study presents a strategy for encapsulating geo-analysis models to reduce problems encountered when sharing models between model providers and model users and supports the tasks with different web service standards (e.g., the WPS standard). A description method for heterogeneous geo-analysis models is studied. Based on the model description information, the methods for encapsulating the model-execution program to model services and for describing model-service deployment information are also included in the proposed strategy. Hence, the model-description interface, model-execution interface and model-deployment interface are studied to help model providers and model users more easily share, reuse and integrate geo-analysis models in an open web environment. Finally, a prototype system is established, and the WPS standard is employed as an example to verify the capability and practicability of the model-encapsulation strategy. The results show that it is more convenient for modellers to share and integrate heterogeneous geo-analysis models in cloud computing platforms.

Relationship of Psychological Well-Being with Perceived Stress, Coping Styles, and Social Support amongst University Undergraduates.

ERIC Educational Resources Information Center

Arulrajah, Annette Ananthi; Harun, Lily Mastura Haji

The aim of this study was to: (a) explore the levels of four factors (psychological well-being, perceived stress, coping styles, and social support) among undergraduates; (b) acquire an accurate description of the demographic variables; (c) explore the relationships among the four factors after controlling for the possible intervening demographic…

The Portrayal of Federal Intervention in Domestic Disorders in Selected U.S. History Textbooks.

ERIC Educational Resources Information Center

Miller, Linda Karen

This dissertation addresses how federalism is portrayed in high school U.S. history textbooks. The guiding questions of this study include: (1) How well do senior high school U.S. history textbooks portray federalism through description of domestic disorders? (2) When domestic disorders are included in these textbooks, how accurately are they…

9 CFR 590.146 - Application for continuous inspection in official plants; approval.

Code of Federal Regulations, 2010 CFR

2010-01-01

... copies of each print drawing as specified in this section of the complete floor plan, plot plan... zip code or an accurate description of the location. (3) Plot plan of entire premises shall include..., and vehicular loading areas. The plot plan may be drawn to a scale of one-thirty-second inch per foot...

Programs for Middle School Math: An Inventory of Existing Technology. Working Paper

ERIC Educational Resources Information Center

Saultz, Andrew

2012-01-01

In this working paper, Andrew Saultz of Michigan State University inventories the current landscape of technology programs available for middle school math. The working paper is not intended as a "consumers' guide" to technology programs, and the descriptions of some specific programs are not fully accurate or current. Readers who are interested…

The Implementations and Challenges of Continuous Assessment in Public Universities of Eastern Ethiopia

ERIC Educational Resources Information Center

Abera, Gemechu; Kedir, Muhammed; Beyabeyin, Maeregu

2017-01-01

The study was aimed to investigate the implementations and challenges of continuous assessment in selected Public Universities of Eastern Ethiopia. Descriptive survey research design was employed to carry out this study because it is used to describe the characteristics of a given population in a systematic and accurate fashion. Stratified random…

QUANTITATION OF MENSTRUAL BLOOD LOSS: A RADIOACTIVE METHOD UTILIZING A COUNTING DOME

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

Tauxe, W.N.

A description has been given of a simple, accurate tech nique for the quantitation of menstrual blood loss, involving the determination of a three- dimensional isosensitivity curve and the fashioning of a lucite dome with cover to fit these specifications. Ten normal subjects lost no more than 50 ml each per menstrual period. (auth)

The Twin Elements of Learning: Knowledge and Judgment

ERIC Educational Resources Information Center

Sullivan, William M.

2010-01-01

American colleges and universities are currently in the midst of a vital movement to reinvent liberal education. It is difficult to give a fully accurate description of the agenda of this movement, however, because it is being advanced by a number of disparate groups and organizations. In this paper, the author begins by stipulating what liberal…

Developing a molecular dynamics force field for both folded and disordered protein states.

PubMed

Robustelli, Paul; Piana, Stefano; Shaw, David E

2018-05-07

Molecular dynamics (MD) simulation is a valuable tool for characterizing the structural dynamics of folded proteins and should be similarly applicable to disordered proteins and proteins with both folded and disordered regions. It has been unclear, however, whether any physical model (force field) used in MD simulations accurately describes both folded and disordered proteins. Here, we select a benchmark set of 21 systems, including folded and disordered proteins, simulate these systems with six state-of-the-art force fields, and compare the results to over 9,000 available experimental data points. We find that none of the tested force fields simultaneously provided accurate descriptions of folded proteins, of the dimensions of disordered proteins, and of the secondary structure propensities of disordered proteins. Guided by simulation results on a subset of our benchmark, however, we modified parameters of one force field, achieving excellent agreement with experiment for disordered proteins, while maintaining state-of-the-art accuracy for folded proteins. The resulting force field, a99SB- disp , should thus greatly expand the range of biological systems amenable to MD simulation. A similar approach could be taken to improve other force fields. Copyright © 2018 the Author(s). Published by PNAS.

A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures.

PubMed

Totton, Tim S; Misquitta, Alston J; Kraft, Markus

2012-03-28

The clustering of polycyclic aromatic hydrocarbon (PAH) molecules is investigated in the context of soot particle inception and growth using an isotropic potential developed from the benchmark PAHAP potential. This potential is used to estimate equilibrium constants of dimerisation for five representative PAH molecules based on a statistical mechanics model. Molecular dynamics simulations are also performed to study the clustering of homomolecular systems at a range of temperatures. The results from both sets of calculations demonstrate that at flame temperatures pyrene (C(16)H(10)) dimerisation cannot be a key step in soot particle formation and that much larger molecules (e.g. circumcoronene, C(54)H(18)) are required to form small clusters at flame temperatures. The importance of using accurate descriptions of the intermolecular interactions is demonstrated by comparing results to those calculated with a popular literature potential with an order of magnitude variation in the level of clustering observed. By using an accurate intermolecular potential we are able to show that physical binding of PAH molecules based on van der Waals interactions alone can only be a viable soot inception mechanism if concentrations of large PAH molecules are significantly higher than currently thought.

Using an Ingestible Telemetric Temperature Pill to Assess Gastrointestinal Temperature During Exercise

PubMed Central

Bongers, Coen C.W.G.; Hopman, Maria T.E.; Eijsvogels, Thijs M.H.

2015-01-01

Exercise results in an increase in core body temperature (Tc), which may reduce exercise performance and eventually can lead to the development of heat-related disorders. Therefore, accurate measurement of Tc during exercise is of great importance, especially in athletes who have to perform in challenging ambient conditions. In the current literature a number of methods have been described to measure the Tc (esophageal, external tympanic membrane, mouth or rectum). However, these methods are suboptimal to measure Tc during exercise since they are invasive, have a slow response or are influenced by environmental conditions. Studies described the use of an ingestible telemetric temperature pill as a reliable and valid method to assess gastrointestinal temperature (Tgi), which is a representative measurement of Tc. Therefore, the goal of this study was to provide a detailed description of the measurement of Tgi using an ingestible telemetric temperature pill. This study addresses important methodological factors that must be taken into account for an accurate measurement. It is recommended to read the instructions carefully in order to ensure that the ingestible telemetric temperature pill is a reliable method to assess Tgi at rest and during exercise. PMID:26485169

Drying of Durum Wheat Pasta and Enriched Pasta: A Review of Modeling Approaches.

PubMed

Mercier, Samuel; Mondor, Martin; Moresoli, Christine; Villeneuve, Sébastien; Marcos, Bernard

2016-05-18

Models on drying of durum wheat pasta and enriched pasta were reviewed to identify avenues for improvement according to consumer needs, product formulation and processing conditions. This review first summarized the fundamental phenomena of pasta drying, mass transfer, heat transfer, momentum, chemical changes, shrinkage and crack formation. The basic equations of the current models were then presented, along with methods for the estimation of pasta transport and thermodynamic properties. The experimental validation of these models was also presented and highlighted the need for further model validation for drying at high temperatures (>-100°C) and for more accurate estimation of the pasta diffusion and mass transfer coefficients. This review indicates the need for the development of mechanistic models to improve our understanding of the mass and heat transfer mechanisms involved in pasta drying, and to consider the local changes in pasta transport properties and relaxation time for more accurate description of the moisture transport near glass transition conditions. The ability of current models to describe dried pasta quality according to the consumers expectations or to predict the impact of incorporating ingredients high in nutritional value on the drying of these enriched pasta was also discussed.

Establishment of a sensor testbed at NIST for plant productivity monitoring

NASA Astrophysics Data System (ADS)

Allen, D. W.; Hutyra, L.; Reinmann, A.; Trlica, A.; Marrs, J.; Jones, T.; Whetstone, J. R.; Logan, B.; Reblin, J.

2017-12-01

Accurate assessments of biogenic carbon fluxes is challenging. Correlating optical signatures to plant activity allows for monitoring large regions. New methods, including solar-induced fluorescence (SIF), promise to provide more timely and accurate estimate of plant activity, but we are still developing a full understanding of the mechanistic leakage between plant assimilation of carbon and SIF. We have initiated a testbed to facilitate the evaluation of sensors and methods for remote monitoring of plant activity at the NIST headquarters. The test bed utilizes a forested area of mature trees in a mixed urban environment. A 1 hectare plot within the 26 hectare forest has been instrumented for ecophysiological measurements with an edge (100 m long) that is persistently monitored with multimodal optical sensors (SIF spectrometers, hyperspectral imagers, thermal infrared imaging, and lidar). This biological testbed has the advantage of direct access to the national scales maintained by NIST of measurements related to both the physical and optical measurements of interest. We offer a description of the test site, the sensors, and preliminary results from the first season of observations for ecological, physiological, and remote sensing based estimates of ecosystem productivity.

Development of an expert system for fractography of environmentally assisted cracking

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

Minoshima, Kohji; Komai, Kenjiro; Yamasaki, Norimasa

1997-12-31

An expert system that diagnoses the causes of failure of environmentally assisted cracking (EAC) based upon fractography has been developed. The system uses the OPS83 programming language, expressing rules in the manner of production rules, and is composed of three independent subsystems, which respectively deal with EACs of high-strength or high-tensile-strength steel, aluminum alloy, and stainless steel in dry and humidified air, water, and aqueous solutions containing Cl, Br, or I ions. The concerned EAC issues cover stress corrosion cracking (SCC), hydrogen embrittlement, cyclic SCC, dynamic SCC, and corrosion fatigue as well as fatigue and overload fracture. The knowledge basemore » covers the rules relating to not only environments, materials, and loading conditions, but also macroscopic and microscopic fracture surface morphology. In order to deal with vague expressions of fracture surface morphology, fuzzy set theory is used in the system, and the description of rules about vague fracture surface appearance is thereby possible. Applying the developed expert system to case histories, accurate diagnoses were made. The authors discuss the related diagnosis results and usefulness of the developed system.« less

Science at Schools: Observation and Analysis of a Partial Solar Eclipse

NASA Astrophysics Data System (ADS)

dos Santos, Leonardo Barbosa Torres; dos Santos, Everaldo Faustino; das Neves, Leonardo Oliveira

2015-07-01

Natural phenomena, such as eclipses, prompt interest and curiosity of humans since antiquity. For this reason the systematic monitoring of these events could be used to raise people’s interest from the simple contemplation, to didactic interest or to scientific research. The objective of this paper is therefore to stimulate the application and development of scientific research in the school environment. For this aim we propose to monitor solar eclipses. Students should obtain photographic registers using appropriated equipment for the observation of the Sun. Throughout analyses of photographs it should be possible to determine representative parameters of the characteristics and evolution of these interesting astronomical events. The results could be compared to highly accurate predictions. A detailed description of the methodology and features to be applied to observations is also provided.

The 14th Hoyt Lecture: Ischemic Optic Neuropathy: The Evolving Profile, 1966-2015.

PubMed

Arnold, Anthony C

2016-06-01

Since the first English language description by Miller and Smith in 1966 of ischemic optic neuropathy as a distinct ophthalmic syndrome, a long series of studies has refined the clinical profile to what we consider to be accurate today. From the specifics of pathogenesis to the clinical appearance to the effect of therapy, the basic tenets of diagnosis and management have evolved over 5 decades. What we thought we knew about the following topics has changed: location of vasculopathy; incidence; age at onset; optic disc appearance; risk factors for development; natural history; rate of fellow eye involvement; ischemia as an all-or-none phenomenon; and treatment. A look back at these discoveries shows both how far we have come and how far we have to go in managing this disorder.

Finding Our Way through Phenotypes

PubMed Central

Deans, Andrew R.; Lewis, Suzanna E.; Huala, Eva; Anzaldo, Salvatore S.; Ashburner, Michael; Balhoff, James P.; Blackburn, David C.; Blake, Judith A.; Burleigh, J. Gordon; Chanet, Bruno; Cooper, Laurel D.; Courtot, Mélanie; Csösz, Sándor; Cui, Hong; Dahdul, Wasila; Das, Sandip; Dececchi, T. Alexander; Dettai, Agnes; Diogo, Rui; Druzinsky, Robert E.; Dumontier, Michel; Franz, Nico M.; Friedrich, Frank; Gkoutos, George V.; Haendel, Melissa; Harmon, Luke J.; Hayamizu, Terry F.; He, Yongqun; Hines, Heather M.; Ibrahim, Nizar; Jackson, Laura M.; Jaiswal, Pankaj; James-Zorn, Christina; Köhler, Sebastian; Lecointre, Guillaume; Lapp, Hilmar; Lawrence, Carolyn J.; Le Novère, Nicolas; Lundberg, John G.; Macklin, James; Mast, Austin R.; Midford, Peter E.; Mikó, István; Mungall, Christopher J.; Oellrich, Anika; Osumi-Sutherland, David; Parkinson, Helen; Ramírez, Martín J.; Richter, Stefan; Robinson, Peter N.; Ruttenberg, Alan; Schulz, Katja S.; Segerdell, Erik; Seltmann, Katja C.; Sharkey, Michael J.; Smith, Aaron D.; Smith, Barry; Specht, Chelsea D.; Squires, R. Burke; Thacker, Robert W.; Thessen, Anne; Fernandez-Triana, Jose; Vihinen, Mauno; Vize, Peter D.; Vogt, Lars; Wall, Christine E.; Walls, Ramona L.; Westerfeld, Monte; Wharton, Robert A.; Wirkner, Christian S.; Woolley, James B.; Yoder, Matthew J.; Zorn, Aaron M.; Mabee, Paula

2015-01-01

Despite a large and multifaceted effort to understand the vast landscape of phenotypic data, their current form inhibits productive data analysis. The lack of a community-wide, consensus-based, human- and machine-interpretable language for describing phenotypes and their genomic and environmental contexts is perhaps the most pressing scientific bottleneck to integration across many key fields in biology, including genomics, systems biology, development, medicine, evolution, ecology, and systematics. Here we survey the current phenomics landscape, including data resources and handling, and the progress that has been made to accurately capture relevant data descriptions for phenotypes. We present an example of the kind of integration across domains that computable phenotypes would enable, and we call upon the broader biology community, publishers, and relevant funding agencies to support efforts to surmount today's data barriers and facilitate analytical reproducibility. PMID:25562316

Finding our way through phenotypes.

PubMed

Deans, Andrew R; Lewis, Suzanna E; Huala, Eva; Anzaldo, Salvatore S; Ashburner, Michael; Balhoff, James P; Blackburn, David C; Blake, Judith A; Burleigh, J Gordon; Chanet, Bruno; Cooper, Laurel D; Courtot, Mélanie; Csösz, Sándor; Cui, Hong; Dahdul, Wasila; Das, Sandip; Dececchi, T Alexander; Dettai, Agnes; Diogo, Rui; Druzinsky, Robert E; Dumontier, Michel; Franz, Nico M; Friedrich, Frank; Gkoutos, George V; Haendel, Melissa; Harmon, Luke J; Hayamizu, Terry F; He, Yongqun; Hines, Heather M; Ibrahim, Nizar; Jackson, Laura M; Jaiswal, Pankaj; James-Zorn, Christina; Köhler, Sebastian; Lecointre, Guillaume; Lapp, Hilmar; Lawrence, Carolyn J; Le Novère, Nicolas; Lundberg, John G; Macklin, James; Mast, Austin R; Midford, Peter E; Mikó, István; Mungall, Christopher J; Oellrich, Anika; Osumi-Sutherland, David; Parkinson, Helen; Ramírez, Martín J; Richter, Stefan; Robinson, Peter N; Ruttenberg, Alan; Schulz, Katja S; Segerdell, Erik; Seltmann, Katja C; Sharkey, Michael J; Smith, Aaron D; Smith, Barry; Specht, Chelsea D; Squires, R Burke; Thacker, Robert W; Thessen, Anne; Fernandez-Triana, Jose; Vihinen, Mauno; Vize, Peter D; Vogt, Lars; Wall, Christine E; Walls, Ramona L; Westerfeld, Monte; Wharton, Robert A; Wirkner, Christian S; Woolley, James B; Yoder, Matthew J; Zorn, Aaron M; Mabee, Paula

2015-01-01

Despite a large and multifaceted effort to understand the vast landscape of phenotypic data, their current form inhibits productive data analysis. The lack of a community-wide, consensus-based, human- and machine-interpretable language for describing phenotypes and their genomic and environmental contexts is perhaps the most pressing scientific bottleneck to integration across many key fields in biology, including genomics, systems biology, development, medicine, evolution, ecology, and systematics. Here we survey the current phenomics landscape, including data resources and handling, and the progress that has been made to accurately capture relevant data descriptions for phenotypes. We present an example of the kind of integration across domains that computable phenotypes would enable, and we call upon the broader biology community, publishers, and relevant funding agencies to support efforts to surmount today's data barriers and facilitate analytical reproducibility.

On three-dimensional misorientation spaces

PubMed Central

Bennett, Robbie J.; Vukmanovic, Zoja; Solano-Alvarez, Wilberth; Lainé, Steven J.; Einsle, Joshua F.; Midgley, Paul A.; Rae, Catherine M. F.; Hielscher, Ralf

2017-01-01

Determining the local orientation of crystals in engineering and geological materials has become routine with the advent of modern crystallographic mapping techniques. These techniques enable many thousands of orientation measurements to be made, directing attention towards how such orientation data are best studied. Here, we provide a guide to the visualization of misorientation data in three-dimensional vector spaces, reduced by crystal symmetry, to reveal crystallographic orientation relationships. Domains for all point group symmetries are presented and an analysis methodology is developed and applied to identify crystallographic relationships, indicated by clusters in the misorientation space, in examples from materials science and geology. This analysis aids the determination of active deformation mechanisms and evaluation of cluster centres and spread enables more accurate description of transformation processes supporting arguments regarding provenance. PMID:29118660

Patient classification in home health care: are we ready?

PubMed

Cox, C L; Wood, J E; Montgomery, A C; Smith, P C

1990-09-01

This longitudinal descriptive study retrospectively profiled the acutely ill patient in home health care and explored the utility of using patient record data in predicting agency resource use and patient outcome. The findings suggest that those variables traditionally relied on for reimbursement qualification and as components of patient-classification schemes may not be wholly adequate to explain resource use and patient outcome in the home health setting. Professional nursing judgment of the patient's prognosis was found to be the most sensitive variable predicting outcome. Selected diagnoses and self-care capacity of the patient were the major predictors of resource use. Suggestions are offered for further studies that may move public health nursing more quickly toward the development of consistent and accurate home health care case mix measures.

Near-tip dual-length scale mechanics of mode-I cracking in laminate brittle matrix composites

NASA Technical Reports Server (NTRS)

Ballarini, R.; Islam, S.; Charalambides, P. G.

1992-01-01

This paper presents the preliminary results of an on-going study of the near-tip mechanics of mode-I cracking in brittle matrix composite laminates. A finite element model is developed within the context of two competing characteristic lengths present in the composite: the microstructural length (the thickness of the layers) and a macro-length (crack-length, uncracked ligament size, etc.). For various values of the parameters which describe the ratio of these lengths and the constituent properties, the stresses ahead of a crack perpendicular to the laminates are compared with those predicted by assuming the composite is homogeneous orthotropic. The results can be used to determine the conditions for which homogenization can provide a sufficiently accurate description of the stresses in the vicinity of the crack-tip.

Systematic uncertainties in long-baseline neutrino-oscillation experiments

NASA Astrophysics Data System (ADS)

Ankowski, Artur M.; Mariani, Camillo

2017-05-01

Future neutrino-oscillation experiments are expected to bring definite answers to the questions of neutrino-mass hierarchy and violation of charge-parity symmetry in the lepton-sector. To realize this ambitious program it is necessary to ensure a significant reduction of uncertainties, particularly those related to neutrino-energy reconstruction. In this paper, we discuss different sources of systematic uncertainties, paying special attention to those arising from nuclear effects and detector response. By analyzing nuclear effects we show the importance of developing accurate theoretical models, capable of providing a quantitative description of neutrino cross sections, together with the relevance of their implementation in Monte Carlo generators and extensive testing against lepton-scattering data. We also point out the fundamental role of efforts aiming to determine detector responses in test-beam exposures.

Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.

PubMed

Tanaka, Shigenori; Mochizuki, Yuji; Komeiji, Yuto; Okiyama, Yoshio; Fukuzawa, Kaori

2014-06-14

Recent developments in the fragment molecular orbital (FMO) method for theoretical formulation, implementation, and application to nano and biomolecular systems are reviewed. The FMO method has enabled ab initio quantum-mechanical calculations for large molecular systems such as protein-ligand complexes at a reasonable computational cost in a parallelized way. There have been a wealth of application outcomes from the FMO method in the fields of biochemistry, medicinal chemistry and nanotechnology, in which the electron correlation effects play vital roles. With the aid of the advances in high-performance computing, the FMO method promises larger, faster, and more accurate simulations of biomolecular and related systems, including the descriptions of dynamical behaviors in solvent environments. The current status and future prospects of the FMO scheme are addressed in these contexts.

Reply to "Comment on the Paper ''On the Determination of Electron Polytrope Indices Within Coronal Mass Ejections in the Solar Wind'"'. Appendix 5

NASA Technical Reports Server (NTRS)

Gosling, J. T.; Riley, P.; Skoug, R. M.

2001-01-01

We strongly disagree with the essence of the Osherovich (hereafter Osherovich) comment on one of our papers. The following paragraphs provide the basis of our disagreement and elaborate on why we believe that none of the concluding statements in his Comment are true. Our most important point is that one can apply the model developed by Osherovich and colleagues to real data obtained at a single point in space to determine the polytropic index within magnetic clouds if and only if the highly idealized assumptions of that model conform to physical reality. There is good reason to believe that those assumptions do not provide an accurate physical description of real magnetic clouds in the spherically expanding solar wind.

Einstein's cosmology review of 1933: a new perspective on the Einstein-de Sitter model of the cosmos

NASA Astrophysics Data System (ADS)

O'Raifeartaigh, Cormac; O'Keeffe, Michael; Nahm, Werner; Mitton, Simon

2015-09-01

We present a first English translation and analysis of a little-known review of relativistic cosmology written by Albert Einstein in late 1932. The article, which was published in 1933 in a book of Einstein papers translated into French, contains a substantial review of static and dynamic relativistic models of the cosmos, culminating in a discussion of the Einstein-de Sitter model. The article offers a valuable contemporaneous insight into Einstein's cosmology in the early 1930s and confirms that his interest lay in the development of the simplest model of the cosmos that could account for observation. The article also confirms that Einstein did not believe that simplified relativistic models could give an accurate description of the early universe.

The A6Sigma+ - X6Sigma+ Transition of CrH, Einstein Coefficients and an Improved Description of the A State

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Ram, R. S.; Bernath, Peter F.; Parsons, C. G.; Galehouse, D.; Arnold, James O. (Technical Monitor)

2001-01-01

The spectrum of CrH has been reinvestigated in the 9000-15000/cm region using the Fourier transform spectrometer of the National Solar Observatory. The 1-0 and 1-1 bands of the A6Sigma+ - X6Sigma+ transition have been measured and improved spectroscopic constants have been determined. A value for the 2-0 band origin has been obtained from the band head using estimated spectroscopic constants. These data provide a set of much improved equilibrium vibrational and rotational constants for the A6Sigma+ state. An accurate description of the A-X transition has been obtained using a multi-reference configuration interaction approach. The inclusion of both scalar relativity and Cr 3s3p correlation are required to obtain a good description of both states. The ab initio computed Einstein coefficients and radiative lifetimes are reported.

Investigating the Effect of Charge Hydration Asymmetry and Incorporating it in Continuum Solvation Framework

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Abhishek

One of the essential requirements of biomolecular modeling is an accurate description of water as a solvent. The challenge is to make this description computationally facile - reasonably fast, simple, robust and easy to incorporate into existing software packages, yet accurate. The most rigorous procedure to model the effect of aqueous solvent is to explicitly model every water molecule in the system. For many practical applications, this approach is computationally too intense, as the number of required water atoms is on an average at least one order of magnitude larger than the number of atoms of the molecule of interest. Implicit solvent models, in which solvent molecules are replaced by a continuous dielectric, have become a popular alternative to explicit solvent methods. However, implicit solvation models often lack various microscopic details which are crucial for accuracy. One such missing effect that is currently missing from popular implicit models is the so called effect of charge hydration asymmetry (CHA). The missing effect of charge hydration asymmetry - the asymmetric response of water upon the sign of solute charge - manifests a characteristic, strong dependence of solvation free energies on the sign of solute charge. Here, we incorporate this missing effect into the continuum solvation framework via the conceptually simplest Born equation and also in the generalized Born model. We identify the key electric multipole moments of model water molecules critical for the various degrees of CHA effect observed in studies based on molecular dynamics simulations using different rigid water models. We then use this gained insight to incorporate this effect first into the Born model and then into the generalized Born model. The proposed framework significantly improves accuracy of the hydration free energy estimates tested on a comprehensive set of varied molecular solutes - monovalent and divalent ions, small drug-like molecules, charged and uncharged amino acid dipeptides, and small proteins. We finally develop a methodology to resolve the issue with unacceptably large uncertainty that stems from a variety of fundamental and technical difficulties in experimental quantification of CHA from charged solutes. Using the proposed corrections in the continuum framework, we untangle the charge-asymmetric response of water from its symmetric response, and further circumvent the difficulties by extracting accurate estimate propensity of water to cause CHA from accurate experimental hydration free energies of neutral polar molecules. We show that the asymmetry in water's response is strong, about 50% of the symmetric response.

A benchmark for subduction zone modeling

NASA Astrophysics Data System (ADS)

van Keken, P.; King, S.; Peacock, S.

2003-04-01

Our understanding of subduction zones hinges critically on the ability to discern its thermal structure and dynamics. Computational modeling has become an essential complementary approach to observational and experimental studies. The accurate modeling of subduction zones is challenging due to the unique geometry, complicated rheological description and influence of fluid and melt formation. The complicated physics causes problems for the accurate numerical solution of the governing equations. As a consequence it is essential for the subduction zone community to be able to evaluate the ability and limitations of various modeling approaches. The participants of a workshop on the modeling of subduction zones, held at the University of Michigan at Ann Arbor, MI, USA in 2002, formulated a number of case studies to be developed into a benchmark similar to previous mantle convection benchmarks (Blankenbach et al., 1989; Busse et al., 1991; Van Keken et al., 1997). Our initial benchmark focuses on the dynamics of the mantle wedge and investigates three different rheologies: constant viscosity, diffusion creep, and dislocation creep. In addition we investigate the ability of codes to accurate model dynamic pressure and advection dominated flows. Proceedings of the workshop and the formulation of the benchmark are available at www.geo.lsa.umich.edu/~keken/subduction02.html We strongly encourage interested research groups to participate in this benchmark. At Nice 2003 we will provide an update and first set of benchmark results. Interested researchers are encouraged to contact one of the authors for further details.

Radiation Belt Electron Dynamics: Modeling Atmospheric Losses

NASA Technical Reports Server (NTRS)

Selesnick, R. S.

2003-01-01

The first year of work on this project has been completed. This report provides a summary of the progress made and the plan for the coming year. Also included with this report is a preprint of an article that was accepted for publication in Journal of Geophysical Research and describes in detail most of the results from the first year of effort. The goal for the first year was to develop a radiation belt electron model for fitting to data from the SAMPEX and Polar satellites that would provide an empirical description of the electron losses into the upper atmosphere. This was largely accomplished according to the original plan (with one exception being that, for reasons described below, the inclusion of the loss cone electrons in the model was deferred). The main concerns at the start were to accurately represent the balance between pitch angle diffusion and eastward drift that determines the dominant features of the low altitude data, and then to accurately convert the model into simulated data based on the characteristics of the particular electron detectors. Considerable effort was devoted to achieving these ends. Once the model was providing accurate results it was applied to data sets selected from appropriate periods in 1997, 1998, and 1999. For each interval of -30 to 60 days, the model parameters were calculated daily, thus providing good short and long term temporal resolution, and for a range of radial locations from L = 2.7 to 3.9. .

On the accurate analysis of vibroacoustics in head insert gradient coils.

PubMed

Winkler, Simone A; Alejski, Andrew; Wade, Trevor; McKenzie, Charles A; Rutt, Brian K

2017-10-01

To accurately analyze vibroacoustics in MR head gradient coils. A detailed theoretical model for gradient coil vibroacoustics, including the first description and modeling of Lorentz damping, is introduced and implemented in a multiphysics software package. Numerical finite-element method simulations were used to establish a highly accurate vibroacoustic model in head gradient coils in detail, including the newly introduced Lorentz damping effect. Vibroacoustic coupling was examined through an additional modal analysis. Thorough experimental studies were used to validate simulations. Average experimental sound pressure levels (SPLs) and accelerations over the 0-3000 Hz frequency range were 97.6 dB, 98.7 dB, and 95.4 dB, as well as 20.6 g, 8.7 g, and 15.6 g for the X-, Y-, and Z-gradients, respectively. A reasonable agreement between simulations and measurements was achieved. Vibroacoustic coupling showed a coupled resonance at 2300 Hz for the Z-gradient that is responsible for a sharp peak and the highest SPL value in the acoustic spectrum. We have developed and used more realistic multiphysics simulation methods to gain novel insights into the underlying concepts for vibroacoustics in head gradient coils, which will permit improved analyses of existing gradient coils and novel SPL reduction strategies for future gradient coil designs. Magn Reson Med 78:1635-1645, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Improved Detection System Description and New Method for Accurate Calibration of Micro-Channel Plate Based Instruments and Its Use in the Fast Plasma Investigation on NASA's Magnetospheric MultiScale Mission

NASA Technical Reports Server (NTRS)

Gliese, U.; Avanov, L. A.; Barrie, A. C.; Kujawski, J. T.; Mariano, A. J.; Tucker, C. J.; Chornay, D. J.; Cao, N. T.; Gershman, D. J.; Dorelli, J. C.;

Accurate atomistic first-principles calculations of electronic stopping

DOE PAGES

Schleife, André; Kanai, Yosuke; Correa, Alfredo A.

2015-01-20

In this paper, we show that atomistic first-principles calculations based on real-time propagation within time-dependent density functional theory are capable of accurately describing electronic stopping of light projectile atoms in metal hosts over a wide range of projectile velocities. In particular, we employ a plane-wave pseudopotential scheme to solve time-dependent Kohn-Sham equations for representative systems of H and He projectiles in crystalline aluminum. This approach to simulate nonadiabatic electron-ion interaction provides an accurate framework that allows for quantitative comparison with experiment without introducing ad hoc parameters such as effective charges, or assumptions about the dielectric function. Finally, our work clearlymore » shows that this atomistic first-principles description of electronic stopping is able to disentangle contributions due to tightly bound semicore electrons and geometric aspects of the stopping geometry (channeling versus off-channeling) in a wide range of projectile velocities.« less

Development and validation of a complementary map to enhance the existing 1998 to 2008 Abbreviated Injury Scale map

PubMed Central

2011-01-01

Introduction Many trauma registries have used the Abbreviated Injury Scale 1990 Revision Update 98 (AIS98) to classify injuries. In the current AIS version (Abbreviated Injury Scale 2005 Update 2008 - AIS08), injury classification and specificity differ substantially from AIS98, and the mapping tools provided in the AIS08 dictionary are incomplete. As a result, data from different AIS versions cannot currently be compared. The aim of this study was to develop an additional AIS98 to AIS08 mapping tool to complement the current AIS dictionary map, and then to evaluate the completed map (produced by combining these two maps) using double-coded data. The value of additional information provided by free text descriptions accompanying assigned codes was also assessed. Methods Using a modified Delphi process, a panel of expert AIS coders established plausible AIS08 equivalents for the 153 AIS98 codes which currently have no AIS08 map. A series of major trauma patients whose injuries had been double-coded in AIS98 and AIS08 was used to assess the maps; both of the AIS datasets had already been mapped to another AIS version using the AIS dictionary maps. Following application of the completed (enhanced) map with or without free text evaluation, up to six AIS codes were available for each injury. Datasets were assessed for agreement in injury severity measures, and the relative performances of the maps in accurately describing the trauma population were evaluated. Results The double-coded injuries sustained by 109 patients were used to assess the maps. For data conversion from AIS98, both the enhanced map and the enhanced map with free text description resulted in higher levels of accuracy and agreement with directly coded AIS08 data than the currently available dictionary map. Paired comparisons demonstrated significant differences between direct coding and the dictionary maps, but not with either of the enhanced maps. Conclusions The newly-developed AIS98 to AIS08 complementary map enabled transformation of the trauma population description given by AIS98 into an AIS08 estimate which was statistically indistinguishable from directly coded AIS08 data. It is recommended that the enhanced map should be adopted for dataset conversion, using free text descriptions if available. PMID:21548991

Development and validation of a complementary map to enhance the existing 1998 to 2008 Abbreviated Injury Scale map.

PubMed

Palmer, Cameron S; Franklyn, Melanie; Read-Allsopp, Christine; McLellan, Susan; Niggemeyer, Louise E

2011-05-08

Many trauma registries have used the Abbreviated Injury Scale 1990 Revision Update 98 (AIS98) to classify injuries. In the current AIS version (Abbreviated Injury Scale 2005 Update 2008 - AIS08), injury classification and specificity differ substantially from AIS98, and the mapping tools provided in the AIS08 dictionary are incomplete. As a result, data from different AIS versions cannot currently be compared. The aim of this study was to develop an additional AIS98 to AIS08 mapping tool to complement the current AIS dictionary map, and then to evaluate the completed map (produced by combining these two maps) using double-coded data. The value of additional information provided by free text descriptions accompanying assigned codes was also assessed. Using a modified Delphi process, a panel of expert AIS coders established plausible AIS08 equivalents for the 153 AIS98 codes which currently have no AIS08 map. A series of major trauma patients whose injuries had been double-coded in AIS98 and AIS08 was used to assess the maps; both of the AIS datasets had already been mapped to another AIS version using the AIS dictionary maps. Following application of the completed (enhanced) map with or without free text evaluation, up to six AIS codes were available for each injury. Datasets were assessed for agreement in injury severity measures, and the relative performances of the maps in accurately describing the trauma population were evaluated. The double-coded injuries sustained by 109 patients were used to assess the maps. For data conversion from AIS98, both the enhanced map and the enhanced map with free text description resulted in higher levels of accuracy and agreement with directly coded AIS08 data than the currently available dictionary map. Paired comparisons demonstrated significant differences between direct coding and the dictionary maps, but not with either of the enhanced maps. The newly-developed AIS98 to AIS08 complementary map enabled transformation of the trauma population description given by AIS98 into an AIS08 estimate which was statistically indistinguishable from directly coded AIS08 data. It is recommended that the enhanced map should be adopted for dataset conversion, using free text descriptions if available.

Germination parameterization and development of an after-ripening thermal-time model for primary dormancy release of Lithospermum arvense seeds.

PubMed

Chantre, Guillermo R; Batlla, Diego; Sabbatini, Mario R; Orioli, Gustavo

2009-06-01

Models based on thermal-time approaches have been a useful tool for characterizing and predicting seed germination and dormancy release in relation to time and temperature. The aims of the present work were to evaluate the relative accuracy of different thermal-time approaches for the description of germination in Lithospermum arvense and to develop an after-ripening thermal-time model for predicting seed dormancy release. Seeds were dry-stored at constant temperatures of 5, 15 or 24 degrees C for up to 210 d. After different storage periods, batches of 50 seeds were incubated at eight constant temperature regimes of 5, 8, 10, 13, 15, 17, 20 or 25 degrees C. Experimentally obtained cumulative-germination curves were analysed using a non-linear regression procedure to obtain optimal population thermal parameters for L. arvense. Changes in these parameters were described as a function of after-ripening thermal-time and storage temperature. The most accurate approach for simulating the thermal-germination response of L. arvense was achieved by assuming a normal distribution of both base and maximum germination temperatures. The results contradict the widely accepted assumption of a single T(b) value for the entire seed population. The after-ripening process was characterized by a progressive increase in the mean maximum germination temperature and a reduction in the thermal-time requirements for germination at sub-optimal temperatures. The after-ripening thermal-time model developed here gave an acceptable description of the observed field emergence patterns, thus indicating its usefulness as a predictive tool to enhance weed management tactics.

What Works? Toward a New Classification System for Mental Health Supported Accommodation Services: The Simple Taxonomy for Supported Accommodation (STAX-SA)

PubMed Central

McPherson, Peter; Krotofil, Joanna

2018-01-01

Inconsistent terminology and variation in service models have made synthesis of the supported accommodation literature challenging. To overcome this, we developed a brief, categorical taxonomy that aimed to capture the defining features of different supported accommodation models: the simple taxonomy for supported accommodation (STAX-SA). Data from a previous review of existing classification systems were used to develop the taxonomy structure. After initial testing and amendments, the STAX-SA and an existing taxonomy were applied to 132 supported accommodation service descriptions drawn from two systematic reviews and their performance compared. To assess external validity, the STAX-SA was distributed to a sample of supported accommodation managers in England and they were asked to use it to classify their services. The final version of the STAX-SA comprised of five supported accommodation ‘types’, based on four domains; Staffing location; Level of support; Emphasis on move-on; and Physical setting. The STAX-SA accurately categorized 71.1% (n = 94) of service descriptions, outperforming the comparison tool, and was not affected by publication date or research design. The STAX-SA effectively discriminated between ‘real world’ service models in England and 53.2% (n = 17) of service managers indicated that the taxonomy was ‘Very effective’ or ‘Extremely effective’ in capturing key characteristics of their service. The STAX-SA is an effective tool for classifying supported accommodation models and represents a promising approach to synthesizing the extant effectiveness literature. The authors recommend the development of reporting guidelines for future supported accommodation publications to facilitate comparison between models. PMID:29364171

Accuracy of ab initio electron correlation and electron densities in vanadium dioxide

NASA Astrophysics Data System (ADS)

Kylänpää, Ilkka; Balachandran, Janakiraman; Ganesh, Panchapakesan; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.

2017-11-01

Diffusion quantum Monte Carlo results are used as a reference to analyze properties related to phase stability and magnetism in vanadium dioxide computed with various formulations of density functional theory. We introduce metrics related to energetics, electron densities and spin densities that give us insight on both local and global variations in the antiferromagnetic M1 and R phases. Importantly, these metrics can address contributions arising from the challenging description of the 3 d orbital physics in this material. We observe that the best description of energetics between the structural phases does not correspond to the best accuracy in the charge density, which is consistent with observations made recently by Medvedev et al. [Science 355, 371 (2017), 10.1126/science.aag0410] in the context of isolated atoms. However, we do find evidence that an accurate spin density connects to correct energetic ordering of different magnetic states in VO2, although local, semilocal, and meta-GGA functionals tend to erroneously favor demagnetization of the vanadium sites. The recently developed SCAN functional stands out as remaining nearly balanced in terms of magnetization across the M1-R transition and correctly predicting the ground state crystal structure. In addition to ranking current density functionals, our reference energies and densities serve as important benchmarks for future functional development. With our reference data, the accuracy of both the energy and the electron density can be monitored simultaneously, which is useful for functional development. So far, this kind of detailed high accuracy reference data for correlated materials has been absent from the literature.

What Works? Toward a New Classification System for Mental Health Supported Accommodation Services: The Simple Taxonomy for Supported Accommodation (STAX-SA).

PubMed

McPherson, Peter; Krotofil, Joanna; Killaspy, Helen

2018-01-24

Inconsistent terminology and variation in service models have made synthesis of the supported accommodation literature challenging. To overcome this, we developed a brief, categorical taxonomy that aimed to capture the defining features of different supported accommodation models: the simple taxonomy for supported accommodation (STAX-SA). Data from a previous review of existing classification systems were used to develop the taxonomy structure. After initial testing and amendments, the STAX-SA and an existing taxonomy were applied to 132 supported accommodation service descriptions drawn from two systematic reviews and their performance compared. To assess external validity, the STAX-SA was distributed to a sample of supported accommodation managers in England and they were asked to use it to classify their services. The final version of the STAX-SA comprised of five supported accommodation 'types', based on four domains; Staffing location ; Level of support ; Emphasis on move-on ; and Physical setting . The STAX-SA accurately categorized 71.1% ( n = 94) of service descriptions, outperforming the comparison tool, and was not affected by publication date or research design. The STAX-SA effectively discriminated between 'real world' service models in England and 53.2% ( n = 17) of service managers indicated that the taxonomy was ' Very effective ' or ' Extremely effective ' in capturing key characteristics of their service. The STAX-SA is an effective tool for classifying supported accommodation models and represents a promising approach to synthesizing the extant effectiveness literature. The authors recommend the development of reporting guidelines for future supported accommodation publications to facilitate comparison between models.

Description of the HiMAT Tailored composite structure and laboratory measured vehicle shape under load

NASA Technical Reports Server (NTRS)

Monaghan, R. C.

1981-01-01

The aeroelastically tailored outer wing and canard of the highly maneuverable aircraft technology (HiMAT) vehicle are closely examined and a general description of the overall structure of the vehicle is provided. Test data in the form of laboratory measured twist under load and predicted twist from the HiMAT NASTRAN structural design program are compared. The results of this comparison indicate that the measured twist is generally less than the NASTRAN predicted twist. These discrepancies in twist predictions are attributed, at least in part, to the inability of current analytical composite materials programs to provide sufficiently accurate properties of matrix dominated laminates for input into structural programs such as NASTRAN.

Nanopore Current Oscillations: Nonlinear Dynamics on the Nanoscale.

PubMed

Hyland, Brittany; Siwy, Zuzanna S; Martens, Craig C

2015-05-21

In this Letter, we describe theoretical modeling of an experimentally realized nanoscale system that exhibits the general universal behavior of a nonlinear dynamical system. In particular, we consider the description of voltage-induced current fluctuations through a single nanopore from the perspective of nonlinear dynamics. We briefly review the experimental system and its behavior observed and then present a simple phenomenological nonlinear model that reproduces the qualitative behavior of the experimental data. The model consists of a two-dimensional deterministic nonlinear bistable oscillator experiencing both dissipation and random noise. The multidimensionality of the model and the interplay between deterministic and stochastic forces are both required to obtain a qualitatively accurate description of the physical system.

Optic Neuritis: Another Dickensian Diagnosis

PubMed Central

Petzold, Axel

2013-01-01

Abstract The clinical diagnosis and natural history of optic neuritis was established in the late 1880s by the ophthalmologists von Graefe and Nettleship. The earlier, accurate and insightful description of transient, bilateral visual loss of Esther, the main character in the Charles Dickens novel Bleak House (1852--1853), suggests optic neuritis as a Dickensian diagnosis. Remarkably, Dickens’ observations, also preceding the earliest clinical description of multiple sclerosis by Charcot in 1868, described many clinical features such as a prodromal phase; a nadir; gradual recovery over weeks; glare disability; reduced contrast sensitivity; possibly Uhthoff’s phenomenon; and visual fading. All this with an accuracy that, to quote Russell Brain, “would credit a trained physician.” PMID:28167994

Defining Morphology: Hands and Feet

PubMed Central

Biesecker, Leslie G.; Aase, Jon M.; Clericuzio, Carol; Gurrieri, Fiorella; Temple, I. Karen; Toriello, Helga

2009-01-01

An international group of clinicians working in the field of Dysmorphology has initiated the (re-) definition of all terms used to describe the external human phenotype. The goal is that through standardization of all terms and consensus regarding their definitions the reliability of description of features in humans will increase, comparisons of findings between patients will become more reliable, and discussions with other workers in the field such as developmental biologists and molecular geneticists will become more accurate. Here we report on the (re-) definition of terms needed to describe the major characteristics of the hands and feet. We provide a limited description of the anatomy of this region, limited background anthropometry, and an illustrated list of definitions. PMID:19125433

Localized Scale Coupling and New Educational Paradigms in Multiscale Mathematics and Science

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

LEAL, L. GARY

2013-06-30

One of the most challenging multi-scale simulation problems in the area of multi-phase materials is to develop effective computational techniques for the prediction of coalescence and related phenomena involving rupture of a thin liquid film due to the onset of instability driven by van der Waals or other micro-scale attractive forces. Accurate modeling of this process is critical to prediction of the outcome of milling processes for immiscible polymer blends, one of the most important routes to new advanced polymeric materials. In typical situations, the blend evolves into an ?emulsion? of dispersed phase drops in a continuous matrix fluid. Coalescencemore » is then a critical factor in determining the size distribution of the dispersed phase, but is extremely difficult to predict from first principles. The thin film separating two drops may only achieve rupture at dimensions of approximately 10 nm while the drop sizes are 0(10 ?m). It is essential to achieve very accurate solutions for the flow and for the interface shape at both the macroscale of the full drops, and within the thin film (where the destabilizing disjoining pressure due to van der Waals forces is proportional approximately to the inverse third power of the local film thickness, h-3). Furthermore, the fluids of interest are polymeric (through Newtonian) and the classical continuum description begins to fail as the film thins ? requiring incorporation of molecular effects, such as a hybrid code that incorporates a version of coarse grain molecular dynamics within the thin film coupled with a classical continuum description elsewhere in the flow domain. Finally, the presence of surface active additions, either surfactants (in the form of di-block copolymers) or surface-functionalized micro- or nano-scale particles, adds an additional level of complexity, requiring development of a distinct numerical method to predict the nonuniform concentration gradients of these additives that are responsible for Marangoni stresses at the interface. Again, the physical dimensions of these additives may become comparable to the thin film dimensions, requiring an additional layer of multi-scale modeling.« less

Designing a sampling system for concurrently measuring outdoor recreation visitation and describing visitor characteristics

Treesearch

Donald B.K. English; Stanley J. Zarnoch; Susan M. Kocis

2004-01-01

Two primary information needs for managing recreation areas and the visitors to those areas are: (1) good estimates of visitation volume, and (2) accurate descriptions of visitor characteristics, such as length of stay, frequency of visit, and primary activity. For National Forests in the United States of America with large undeveloped areas, efficient sampling for the...

My College Education: Looking at the Whole Elephant

ERIC Educational Resources Information Center

Merrow, John

2006-01-01

In a well-known fable, several blind men are asked to describe an elephant. One says, ''An elephant is flat, like a pancake," another says that it's "like a big snake." Their descriptions are accurate but limited, based on whichever part of the beast each happens to be holding--the ear, the trunk, and so forth. America's "system" of higher…

Evaluation of the Priority Heuristic as a Descriptive Model of Risky Decision Making: Comment on Brandstatter, Gigerenzer, and Hertwig (2006)

ERIC Educational Resources Information Center

Birnbaum, Michael H.

2008-01-01

E. Brandstatter, G. Gigerenzer, and R. Hertwig (2006) contended that their priority heuristic, a type of lexicographic semiorder model, is more accurate than cumulative prospect theory (CPT) or transfer of attention exchange (TAX) models in describing risky decisions. However, there are 4 problems with their argument. First, their heuristic is not…

Female Sexual Abuse and Criminal Justice Intervention: A Comparison of Child Protective Service and Criminal Justice Samples

ERIC Educational Resources Information Center

Bader, Shannon M.; Scalora, Mario J.; Casady, Thomas K.; Black, Shannon

2008-01-01

Objective: The current study compared a sample of female perpetrators reported to Child Protective Services (CPS) to a sample of women from the criminal justice system. Instead of examining a clinical or criminal justice sample in isolation, this comparison allows a more accurate description of female sexual offending. Methods: Cases were drawn…

Investigating Cognitive Processes within a Practical Art Context: A Phenomenological Case Study Focusing on Three Adolescents

ERIC Educational Resources Information Center

Hickman, Richard; Kiss, Lauren

2013-01-01

A phenomenological approach was employed in order to record and present the lived experiences of three students during a five-hour art-making activity. Theoretical definitions of cognitive processes pertinent to art and design were compared with the descriptions gathered from the students. The research was intended to portray as accurately as…

Reporting Standards for Literature Searches and Report Inclusion Criteria: Making Research Syntheses More Transparent and Easy to Replicate

ERIC Educational Resources Information Center

Atkinson, Kayla M.; Koenka, Alison C.; Sanchez, Carmen E.; Moshontz, Hannah; Cooper, Harris

2015-01-01

A complete description of the literature search, including the criteria used for the inclusion of reports after they have been located, used in a research synthesis or meta-analysis is critical if subsequent researchers are to accurately evaluate and reproduce a synthesis' methods and results. Based on previous guidelines and new suggestions, we…

Obtaining highly excited eigenstates of the localized XX chain via DMRG-X.

PubMed

Devakul, Trithep; Khemani, Vedika; Pollmann, Frank; Huse, David A; Sondhi, S L

2017-12-13

We benchmark a variant of the recently introduced density matrix renormalization group (DMRG)-X algorithm against exact results for the localized random field XX chain. We find that the eigenstates obtained via DMRG-X exhibit a highly accurate l-bit description for system sizes much bigger than the direct, many-body, exact diagonalization in the spin variables is able to access. We take advantage of the underlying free fermion description of the XX model to accurately test the strengths and limitations of this algorithm for large system sizes. We discuss the theoretical constraints on the performance of the algorithm from the entanglement properties of the eigenstates, and its actual performance at different values of disorder. A small but significant improvement to the algorithm is also presented, which helps significantly with convergence. We find that, at high entanglement, DMRG-X shows a bias towards eigenstates with low entanglement, but can be improved with increased bond dimension. This result suggests that one must be careful when applying the algorithm for interacting many-body localized spin models near a transition.This article is part of the themed issue 'Breakdown of ergodicity in quantum systems: from solids to synthetic matter'. © 2017 The Author(s).

Obtaining highly excited eigenstates of the localized XX chain via DMRG-X

NASA Astrophysics Data System (ADS)

Devakul, Trithep; Khemani, Vedika; Pollmann, Frank; Huse, David A.; Sondhi, S. L.

2017-10-01

We benchmark a variant of the recently introduced density matrix renormalization group (DMRG)-X algorithm against exact results for the localized random field XX chain. We find that the eigenstates obtained via DMRG-X exhibit a highly accurate l-bit description for system sizes much bigger than the direct, many-body, exact diagonalization in the spin variables is able to access. We take advantage of the underlying free fermion description of the XX model to accurately test the strengths and limitations of this algorithm for large system sizes. We discuss the theoretical constraints on the performance of the algorithm from the entanglement properties of the eigenstates, and its actual performance at different values of disorder. A small but significant improvement to the algorithm is also presented, which helps significantly with convergence. We find that, at high entanglement, DMRG-X shows a bias towards eigenstates with low entanglement, but can be improved with increased bond dimension. This result suggests that one must be careful when applying the algorithm for interacting many-body localized spin models near a transition. This article is part of the themed issue 'Breakdown of ergodicity in quantum systems: from solids to synthetic matter'.

Molecular Systematic of Three Species of Oithona (Copepoda, Cyclopoida) from the Atlantic Ocean: Comparative Analysis Using 28S rDNA

PubMed Central

Cepeda, Georgina D.; Blanco-Bercial, Leocadio; Bucklin, Ann; Berón, Corina M.; Viñas, María D.

2012-01-01

Species of Oithona (Copepoda, Cyclopoida) are highly abundant, ecologically important, and widely distributed throughout the world oceans. Although there are valid and detailed descriptions of the species, routine species identifications remain challenging due to their small size, subtle morphological diagnostic traits, and the description of geographic forms or varieties. This study examined three species of Oithona (O. similis, O. atlantica and O. nana) occurring in the Argentine sector of the South Atlantic Ocean based on DNA sequence variation of a 575 base-pair region of 28S rDNA, with comparative analysis of these species from other North and South Atlantic regions. DNA sequence variation clearly resolved and discriminated the species, and revealed low levels of intraspecific variation among North and South Atlantic populations of each species. The 28S rDNA region was thus shown to provide an accurate and reliable means of identifying the species throughout the sampled domain. Analysis of 28S rDNA variation for additional species collected throughout the global ocean will be useful to accurately characterize biogeographical distributions of the species and to examine phylogenetic relationships among them. PMID:22558245

Construction and completion of flux balance models from pathway databases.

PubMed

Latendresse, Mario; Krummenacker, Markus; Trupp, Miles; Karp, Peter D

2012-02-01

Flux balance analysis (FBA) is a well-known technique for genome-scale modeling of metabolic flux. Typically, an FBA formulation requires the accurate specification of four sets: biochemical reactions, biomass metabolites, nutrients and secreted metabolites. The development of FBA models can be time consuming and tedious because of the difficulty in assembling completely accurate descriptions of these sets, and in identifying errors in the composition of these sets. For example, the presence of a single non-producible metabolite in the biomass will make the entire model infeasible. Other difficulties in FBA modeling are that model distributions, and predicted fluxes, can be cryptic and difficult to understand. We present a multiple gap-filling method to accelerate the development of FBA models using a new tool, called MetaFlux, based on mixed integer linear programming (MILP). The method suggests corrections to the sets of reactions, biomass metabolites, nutrients and secretions. The method generates FBA models directly from Pathway/Genome Databases. Thus, FBA models developed in this framework are easily queried and visualized using the Pathway Tools software. Predicted fluxes are more easily comprehended by visualizing them on diagrams of individual metabolic pathways or of metabolic maps. MetaFlux can also remove redundant high-flux loops, solve FBA models once they are generated and model the effects of gene knockouts. MetaFlux has been validated through construction of FBA models for Escherichia coli and Homo sapiens. Pathway Tools with MetaFlux is freely available to academic users, and for a fee to commercial users. Download from: biocyc.org/download.shtml. mario.latendresse@sri.com Supplementary data are available at Bioinformatics online.

Determining suitable lego-structures to estimate stability of larger peptide nanostructures using computational methods.

PubMed

Beke, Tamás; Czajlik, András; Csizmadia, Imre G; Perczel, András

2006-02-02

Nanofibers, nanofilms and nanotubes constructed of one to four strands of oligo-alpha- and oligo-beta-peptides were obtained by using carefully selected building units. Lego-type approaches based on thermoneutral isodesmic reactions can be used to reconstruct the total energies of both linear and tubular periodic nanostructures with acceptable accuracy. Total energies of several different nanostructures were accurately determined with errors typically falling in the subchemical range. Thus, attention will be focused on the description of suitable isodesmic reactions that have enabled the determination of the total energy of polypeptides and therefore offer a very fast, efficient and accurate method to obtain energetic information on large and even very large nanosystems.

Eyeglasses Lens Contour Extraction from Facial Images Using an Efficient Shape Description

PubMed Central

Borza, Diana; Darabant, Adrian Sergiu; Danescu, Radu

2013-01-01

This paper presents a system that automatically extracts the position of the eyeglasses and the accurate shape and size of the frame lenses in facial images. The novelty brought by this paper consists in three key contributions. The first one is an original model for representing the shape of the eyeglasses lens, using Fourier descriptors. The second one is a method for generating the search space starting from a finite, relatively small number of representative lens shapes based on Fourier morphing. Finally, we propose an accurate lens contour extraction algorithm using a multi-stage Monte Carlo sampling technique. Multiple experiments demonstrate the effectiveness of our approach. PMID:24152926

Accurate thermoelastic tensor and acoustic velocities of NaCl

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

Marcondes, Michel L., E-mail: michel@if.usp.br; Chemical Engineering and Material Science, University of Minnesota, Minneapolis, 55455; Shukla, Gaurav, E-mail: shukla@physics.umn.edu

Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor bymore » using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.« less

Implementation of the FDTD method in cylindrical coordinates for dispersive materials: Modal study of C-shaped nano-waveguides

NASA Astrophysics Data System (ADS)

kebci, Zahia; Belkhir, Abderrahmane; Mezeghrane, Abdelaziz; Lamrous, Omar; Baida, Fadi Issam

2018-03-01

The objective of this work is to develop a code based on the finite difference time domain method in cylindrical coordinates (CC-FDTD) that integrates the Drude Critical Points model (DCP) and to apply it in the study of a metallic C-shaped waveguide (CSWG). The integrated dispersion model allows an accurate description of noble metals in the optical range and working in cylindrical coordinates is necessary to bypass the staircase effect induced by a Cartesian mesh especially in the case of curved geometrical forms. The CC-FDTD code developed as a part of this work is more general than the Body-Of-Revolution-FDTD algorithm that can only handle structures exhibiting a complete cylindrical symmetry. A N-order CC-FDTD code is then derived and used to perform a parametric study of an infinitly-long CSWG for nano-optic applications. Propagation losses and dispersion diagrams are given for different geometrical parameters.

Indexing NASA programs for technology transfer methods development and feasibility

NASA Technical Reports Server (NTRS)

Clingman, W. H.

1972-01-01

This project was undertaken to evaluate the application of a previously developed indexing methodology to ongoing NASA programs. These programs are comprehended by the NASA Program Approval Documents (PADS). Each PAD contains a technical plan for the area it covers. It was proposed that these could be used to generate an index to the complete NASA program. To test this hypothesis two PADS were selected by the NASA Technology Utilization Office for trial indexing. Twenty-five individuals indexed the two PADS using NASA Thesaurus terms. The results demonstrated the feasibility of indexing ongoing NASA programs using PADS as the source of information. The same indexing methodology could be applied to other documents containing a brief description of the technical plan. Results of this project showed that over 85% of the concepts in the technology should be covered by the indexing. Also over 85% of the descriptors chosen would be accurate. This completeness and accuracy for the indexing is considered satisfactory for application in technology transfer.

Differential characterization of emerging skin diseases of rainbow trout--a standardized approach to capturing disease characteristics and development of case definitions.

PubMed

Oidtmann, B; Lapatra, S E; Verner-Jeffreys, D; Pond, M; Peeler, E J; Noguera, P A; Bruno, D W; St-Hilaire, S; Schubiger, C B; Snekvik, K; Crumlish, M; Green, D M; Metselaar, M; Rodger, H; Schmidt-Posthaus, H; Galeotti, M; Feist, S W

2013-11-01

Farmed and wild salmonids are affected by a variety of skin conditions, some of which have significant economic and welfare implications. In many cases, the causes are not well understood, and one example is cold water strawberry disease of rainbow trout, also called red mark syndrome, which has been recorded in the UK since 2003. To date, there are no internationally agreed methods for describing these conditions, which has caused confusion for farmers and health professionals, who are often unclear as to whether they are dealing with a new or a previously described condition. This has resulted, inevitably, in delays to both accurate diagnosis and effective treatment regimes. Here, we provide a standardized methodology for the description of skin conditions of rainbow trout of uncertain aetiology. We demonstrate how the approach can be used to develop case definitions, using coldwater strawberry disease as an example. © 2013 Crown copyright.

The case for MR-compatible robotics: a review of the state of the art.

PubMed

Elhawary, Haytham; Tse, Zion Tsz Ho; Hamed, Abbi; Rea, Marc; Davies, Brian L; Lamperth, Michael U

2008-06-01

The numerous imaging capabilities of magnetic resonance imaging (MRI) coupled with its lack of ionizing radiation has made it a desirable modality for real-time guidance of interventional procedures. The combination of these abilities with the advantages granted by robotic systems to perform accurate and precise positioning of tools has driven the recent development of MR-compatible interventional and assistive devices. The challenges in this field are presented, including the selection of suitable materials, actuators and sensors in the intense magnetic fields of the MR environment. Only a small number of developed systems have made it to the clinical level (only two have become commercial ventures), showing that the field has not yet reached maturity. A brief overview of the current state of the art is given, along with a description of the main opportunities, possibilities and challenges that the future will bring to this exciting and promising field. Copyright (c) 2008 John Wiley & Sons, Ltd.

Analytical Description of the H/D Exchange Kinetic of Macromolecule.

PubMed

Kostyukevich, Yury; Kononikhin, Alexey; Popov, Igor; Nikolaev, Eugene

2018-04-17

We present the accurate analytical solution obtained for the system of rate equations describing the isotope exchange process for molecules containing an arbitrary number of equivalent labile atoms. The exact solution was obtained using Mathematica 7.0 software, and this solution has the form of the time-dependent Gaussian distribution. For the case when forward exchange considerably overlaps the back exchange, it is possible to estimate the activation energy of the reaction by obtaining a temperature dependence of the reaction degree. Using a previously developed approach for performing H/D exchange directly in the ESI source, we have estimated the activation energies for ions with different functional groups and they were found to be in a range 0.04-0.3 eV. Since the value of the activation energy depends on the type of functional group, the developed approach can have potential analytical applications for determining types of functional groups in complex mixtures, such as petroleum, humic substances, bio-oil, and so on.

False Memory in Aging Resulting From Self-Referential Processing

PubMed Central

2013-01-01

Objectives. Referencing the self is known to enhance accurate memory, but less is known about how the strategy affects false memory, particularly for highly self-relevant information. Because older adults are more prone to false memories, we tested whether self-referencing increased false memories with age. Method. In 2 studies, older and younger adults rated adjectives for self-descriptiveness and later completed a surprise recognition test comprised of words rated previously for self-descriptiveness and novel lure words. Lure words were subsequently rated for self-descriptiveness in order to assess the impact of self-relevance on false memory. Study 2 introduced commonness judgments as a control condition, such that participants completed a recognition test on adjectives rated for commonness in addition to adjectives in the self-descriptiveness condition. Results. Across both studies, findings indicate an increased response bias to self-referencing that increased hit rates for both older and younger adults but also increased false alarms as information became more self-descriptive, particularly for older adults. Discussion. Although the present study supports previous literature showing a boost in memory for self-referenced information, the increase in false alarms, especially in older adults, highlights the potential for memory errors, particularly for information that is strongly related to the self. PMID:23576449

ARM Data File Standards Version: 1.0

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

Kehoe, Kenneth; Beus, Sherman; Cialella, Alice

2014-04-01

The Atmospheric Radiation Measurement (ARM) Climate Research Facility performs routine in situ and remote-sensing observations to provide a detailed and accurate description of the Earth atmosphere in diverse climate regimes. The result is a diverse data sets containing observational and derived data, currently accumulating at a rate of 30 TB of data and 150,000 different files per month (http://www.archive.arm.gov/stats/storage2.html). Continuing the current processing while scaling this to even larger sizes is extremely important to the ARM Facility and requires consistent metadata and data standards. The standards described in this document will enable development of automated analysis and discovery tools formore » the ever-growing volumes of data. It also will enable consistent analysis of the multiyear data, allow for development of automated monitoring and data health status tools, and facilitate development of future capabilities for delivering data on demand that can be tailored explicitly to user needs. This analysis ability will only be possible if the data follows a minimum set of standards. This document proposes a hierarchy that includes required and recommended standards.« less

Developing an in-situ Detector of Neutron-Induced Fission for Actinide Sputtering Characterization

NASA Astrophysics Data System (ADS)

Fellers, Deion

2016-09-01

The physical mechanism describing the transfer of large amounts of energy due to fission in a material is not well understood and represents one of the modern challenges facing nuclear scientists, with applications including nuclear energy and national defense. Fission fragments cause damage to the material from sputtering of matter as they pass through or near the material's surface. We have developed a new technique at the Los Alamos Neutron Science Center for characterizing the ejecta by using ultracold neutrons (neutrons with kinetic energy less than 300 neV) to induce fission at finely controlled depths in an actinide. This program will ultimately provide a detailed description of the properties of the sputtered particles as a function of the depth of the fission in the material. A key component of this project is accurately quantifying the number of neutron induced fissions in the sample. This poster depicts the development of an in-situ detector of neutron-induced fission for the AShES (Actinide Sputtering from ultracold neutron Exposure at the Surface) experiment.

Simulation study of neutron production in thick beryllium targets by 35 MeV and 50.5 MeV proton beams

NASA Astrophysics Data System (ADS)

Shin, Jae Won; Park, Tae-Sun

2017-09-01

A data-driven nuclear model dedicated to an accurate description of neutron productions in beryllium targets bombarded by proton beams is developed as a custom development that can be used as an add-on to GEANT4 code. The developed model, G4Data(Endf7.1), takes as inputs the total and differential cross section data of ENDF/B-VII.1 for not only the charge-exchange 9Be(p,n)9B reaction which produces discrete neutrons but also the nuclear reactions relevant for the production of continuum neutrons such as 9Be(p,pn)8Be and 9Be(p,n α) 5Li . In our benchmarking simulations for two experiments with 35 MeV and 50.5 MeV proton beams impinged on 1.16 and 1.05 cm thick beryllium targets, respectively, we find that the G4Data(Endf7.1) model can reproduce both the total amounts and the spectral shapes of the measured neutron yield data in a satisfactory manner, while all the considered hadronic models of GEANT4 cannot.

Final Report - ILAW PCT, VHT, Viscosity, and Electrical Conductivity Model Development, VSL-07R1230-1

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

Kruger, Albert A.; Cooley, S. K.; Joseph, I.

This report describes the results of work and testing specified by the Test Specifications (24590-LAW-TSP-RT-01-013 Rev.1 and 24590-WTP-TSP-RT-02-001 Rev.0), Test Plans (VSL-02T4800-1 Rev.1 & TP-RPP-WTP-179 Rev.1), and Text Exception (24590-WTP-TEF-RT-03-040). The work and any associated testing followed established quality assurance requirements and conducted as authorized. The descriptions provided in this test report are an accurate account of both the conduct of the work and the data collected. Results required by the Test Plans are reported. Also reported are any unusual or anomalous occurrences that are different from the starting hypotheses. The test results and this report have been reviewed andmore » verified.« less

Identification of individuals with ADHD using the Dean-Woodcock sensory motor battery and a boosted tree algorithm.

PubMed

Finch, Holmes W; Davis, Andrew; Dean, Raymond S

2015-03-01

The accurate and early identification of individuals with pervasive conditions such as attention deficit hyperactivity disorder (ADHD) is crucial to ensuring that they receive appropriate and timely assistance and treatment. Heretofore, identification of such individuals has proven somewhat difficult, typically involving clinical decision making based on descriptions and observations of behavior, in conjunction with the administration of cognitive assessments. The present study reports on the use of a sensory motor battery in conjunction with a recursive partitioning computer algorithm, boosted trees, to develop a prediction heuristic for identifying individuals with ADHD. Results of the study demonstrate that this method is able to do so with accuracy rates of over 95 %, much higher than the popular logistic regression model against which it was compared. Implications of these results for practice are provided.

Finite temperature properties of clusters by replica exchange metadynamics: the water nonamer.

PubMed

Zhai, Yingteng; Laio, Alessandro; Tosatti, Erio; Gong, Xin-Gao

2011-03-02

We introduce an approach for the accurate calculation of thermal properties of classical nanoclusters. On the basis of a recently developed enhanced sampling technique, replica exchange metadynamics, the method yields the true free energy of each relevant cluster structure, directly sampling its basin and measuring its occupancy in full equilibrium. All entropy sources, whether vibrational, rotational anharmonic, or especially configurational, the latter often forgotten in many cluster studies, are automatically included. For the present demonstration, we choose the water nonamer (H(2)O)(9), an extremely simple cluster, which nonetheless displays a sufficient complexity and interesting physics in its relevant structure spectrum. Within a standard TIP4P potential description of water, we find that the nonamer second relevant structure possesses a higher configurational entropy than the first, so that the two free energies surprisingly cross for increasing temperature.

Finite Temperature Properties of Clusters by Replica Exchange Metadynamics: The Water Nonamer

NASA Astrophysics Data System (ADS)

Zhai, Yingteng; Laio, Alessandro; Tosatti, Erio; Gong, Xingao

2012-02-01

We introduce an approach for the accurate calculation of thermal properties of classical nanoclusters. Based on a recently developed enhanced sampling technique, replica exchange metadynamics, the method yields the true free energy of each relevant cluster structure, directly sampling its basin and measuring its occupancy in full equilibrium. All entropy sources, whether vibrational, rotational anharmonic and especially configurational -- the latter often forgotten in many cluster studies -- are automatically included. For the present demonstration we choose the water nonamer (H2O)9, an extremely simple cluster which nonetheless displays a sufficient complexity and interesting physics in its relevant structure spectrum. Within a standard TIP4P potential description of water, we find that the nonamer second relevant structure possesses a higher configurational entropy than the first, so that the two free energies surprisingly cross for increasing temperature.

Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness Disaster.

PubMed

Gould, Tim; Pittalis, Stefano

2017-12-15

Ensemble density functional theory is a promising method for the efficient and accurate calculation of excitations of quantum systems, at least if useful functionals can be developed to broaden its domain of practical applicability. Here, we introduce a guaranteed single-valued "Hartree-exchange" ensemble density functional, E_{Hx}[n], in terms of the right derivative of the universal ensemble density functional with respect to the coupling constant at vanishing interaction. We show that E_{Hx}[n] is straightforwardly expressible using block eigenvalues of a simple matrix [Eq. (14)]. Specialized expressions for E_{Hx}[n] from the literature, including those involving superpositions of Slater determinants, can now be regarded as originating from the unifying picture presented here. We thus establish a clear and practical description for Hartree and exchange in ensemble systems.

From experimental imaging techniques to virtual embryology.

PubMed

Weninger, Wolfgang J; Tassy, Olivier; Darras, Sébastien; Geyer, Stefan H; Thieffry, Denis

2004-01-01

Modern embryology increasingly relies on descriptive and functional three dimensional (3D) and four dimensional (4D) analysis of physically, optically, or virtually sectioned specimens. To cope with the technical requirements, new methods for high detailed in vivo imaging, as well as the generation of high resolution digital volume data sets for the accurate visualisation of transgene activity and gene product presence, in the context of embryo morphology, were recently developed and are under construction. These methods profoundly change the scientific applicability, appearance and style of modern embryo representations. In this paper, we present an overview of the emerging techniques to create, visualise and administrate embryo representations (databases, digital data sets, 3-4D embryo reconstructions, models, etc.), and discuss the implications of these new methods on the work of modern embryologists, including, research, teaching, the selection of specific model organisms, and potential collaborators.

Bayesian-based estimation of acoustic surface impedance: Finite difference frequency domain approach.

PubMed

Bockman, Alexander; Fackler, Cameron; Xiang, Ning

2015-04-01

Acoustic performance for an interior requires an accurate description of the boundary materials' surface acoustic impedance. Analytical methods may be applied to a small class of test geometries, but inverse numerical methods provide greater flexibility. The parameter estimation problem requires minimizing prediction vice observed acoustic field pressure. The Bayesian-network sampling approach presented here mitigates other methods' susceptibility to noise inherent to the experiment, model, and numerics. A geometry agnostic method is developed here and its parameter estimation performance is demonstrated for an air-backed micro-perforated panel in an impedance tube. Good agreement is found with predictions from the ISO standard two-microphone, impedance-tube method, and a theoretical model for the material. Data by-products exclusive to a Bayesian approach are analyzed to assess sensitivity of the method to nuisance parameters.

A Pearson Effective Potential for Monte Carlo Simulation of Quantum Confinement Effects in nMOSFETs

NASA Astrophysics Data System (ADS)

Jaud, Marie-Anne; Barraud, Sylvain; Saint-Martin, Jérôme; Bournel, Arnaud; Dollfus, Philippe; Jaouen, Hervé

2008-12-01

A Pearson Effective Potential model for including quantization effects in the simulation of nanoscale nMOSFETs has been developed. This model, based on a realistic description of the function representing the non zero-size of the electron wave packet, has been used in a Monte-Carlo simulator for bulk, single gate SOI and double-gate SOI devices. In the case of SOI capacitors, the electron density has been computed for a large range of effective field (between 0.1 MV/cm and 1 MV/cm) and for various silicon film thicknesses (between 5 nm and 20 nm). A good agreement with the Schroedinger-Poisson results is obtained both on the total inversion charge and on the electron density profiles. The ability of an Effective Potential approach to accurately reproduce electrostatic quantum confinement effects is clearly demonstrated.

Society for Academic Continuing Medical Education Intervention Guideline Series: Guideline 2, Practice Facilitation.

PubMed

Van Hoof, Thomas J; Grant, Rachel E; Campbell, Craig; Colburn, Lois; Davis, David; Dorman, Todd; Fischer, Michael; Horsley, Tanya; Jacobs-Halsey, Virginia; Kane, Gabrielle; LeBlanc, Constance; Moore, Donald E; Morrow, Robert; Olson, Curtis A; Silver, Ivan; Thomas, David C; Turco, Mary; Kitto, Simon

2015-01-01

The Society for Academic Continuing Medical Education commissioned a study to clarify and, if possible, standardize the terminology for a set of important educational interventions. In the form of a guideline, this article describes one such intervention, practice facilitation, which is a common strategy in primary care to help practices develop capacity and infrastructure to support their ability to improve patient care. Based on a review of recent evidence and a facilitated discussion with US and Canadian experts, we describe practice facilitation, its terminology, and other important information about the intervention. We encourage leaders and researchers to consider and build on this guideline as they plan, implement, evaluate, and report practice facilitation efforts. Clear and consistent use of terminology is imperative, along with complete and accurate descriptions of interventions, to improve the use and study of practice facilitation.

Thermodynamic modeling and experimental validation of the Fe-Al-Ni-Cr-Mo alloy system

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

Teng, Zhenke; Zhang, F; Miller, Michael K

2012-01-01

NiAl-type precipitate-strengthened ferritic steels have been known as potential materials for the steam turbine applications. In this study, thermodynamic descriptions of the B2-NiAl type nano-scaled precipitates and body-centered-cubic (BCC) Fe matrix phase for four alloys based on the Fe-Al-Ni-Cr-Mo system were developed as a function of the alloy composition at the aging temperature. The calculated phase structure, composition, and volume fraction were validated by the experimental investigations using synchrotron X-ray diffraction and atom probe tomography. With the ability to accurately predict the key microstructural features related to the mechanical properties in a given alloy system, the established thermodynamic model inmore » the current study may significantly accelerate the alloy design process of the NiAl-strengthened ferritic steels.« less

Standardization proposal of soft tissue artefact description for data sharing in human motion measurements.

PubMed

Cereatti, Andrea; Bonci, Tecla; Akbarshahi, Massoud; Aminian, Kamiar; Barré, Arnaud; Begon, Mickael; Benoit, Daniel L; Charbonnier, Caecilia; Dal Maso, Fabien; Fantozzi, Silvia; Lin, Cheng-Chung; Lu, Tung-Wu; Pandy, Marcus G; Stagni, Rita; van den Bogert, Antonie J; Camomilla, Valentina

2017-09-06

Soft tissue artefact (STA) represents one of the main obstacles for obtaining accurate and reliable skeletal kinematics from motion capture. Many studies have addressed this issue, yet there is no consensus on the best available bone pose estimator and the expected errors associated with relevant results. Furthermore, results obtained by different authors are difficult to compare due to the high variability and specificity of the phenomenon and the different metrics used to represent these data. Therefore, the aim of this study was twofold: firstly, to propose standards for description of STA; and secondly, to provide illustrative STA data samples for body segments in the upper and lower extremities and for a range of motor tasks specifically, level walking, stair ascent, sit-to-stand, hip- and knee-joint functional movements, cutting motion, running, hopping, arm elevation and functional upper-limb movements. The STA dataset includes motion of the skin markers measured in vivo and ex vivo using stereophotogrammetry as well as motion of the underlying bones measured using invasive or bio-imaging techniques (i.e., X-ray fluoroscopy or MRI). The data are accompanied by a detailed description of the methods used for their acquisition, with information given about their quality as well as characterization of the STA using the proposed standards. The availability of open-access and standard-format STA data will be useful for the evaluation and development of bone pose estimators thus contributing to the advancement of three-dimensional human movement analysis and its translation into the clinical practice and other applications. Copyright © 2017 Elsevier Ltd. All rights reserved.

Hybrid approaches for multiple-species stochastic reaction-diffusion models

NASA Astrophysics Data System (ADS)

Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen

2015-10-01

Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction-diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model.

Prevalence and evaluation strategies for viral contamination in food products: Risk to human health-a review.

PubMed

Shukla, Shruti; Cho, Hyunjeong; Kwon, O Jun; Chung, Soo Hyun; Kim, Myunghee

2018-02-11

Nowadays, viruses of foodborne origin such as norovirus and hepatitis A are considered major causes of foodborne gastrointestinal illness with widespread distribution worldwide. A number of foodborne outbreaks associated with food products of animal and non-animal origins, which often involve multiple cases of variety of food streams, have been reported. Although several viruses, including rotavirus, adenovirus, astrovirus, parvovirus, and other enteroviruses, significantly contribute to incidence of gastrointestinal diseases, systematic information on the role of food in transmitting such viruses is limited. Most of the outbreak cases caused by infected food handlers were the source of 53% of total outbreaks. Therefore, prevention and hygiene measures to reduce the frequency of foodborne virus outbreaks should focus on food workers and production site of food products. Pivotal strategies, such as proper investigation, surveillance, and reports on foodborne viral illnesses, are needed in order to develop more accurate measures to detect the presence and pathogenesis of viral infection with detailed descriptions. Moreover, molecular epidemiology and surveillance of food samples may help analysis of public health hazards associated with exposure to foodborne viruses. In this present review, we discuss different aspects of foodborne viral contamination and its impact on human health. This review also aims to improve understanding of foodborne viral infections as major causes of human illness as well as provide descriptions of their control and prevention strategies and rapid detection by advanced molecular techniques. Further, a brief description of methods available for the detection of viruses in food and related matrices is provided.

Hybrid approaches for multiple-species stochastic reaction-diffusion models.

PubMed

Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K; Byrne, Helen

2015-10-15

Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction-diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model.

Hybrid approaches for multiple-species stochastic reaction–diffusion models

PubMed Central

Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen

2015-01-01

Reaction–diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction–diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model. PMID:26478601

Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations.

PubMed

Pham, Tuan Anh; Ogitsu, Tadashi; Lau, Edmond Y; Schwegler, Eric

2016-10-21

Establishing an accurate and predictive computational framework for the description of complex aqueous solutions is an ongoing challenge for density functional theory based first-principles molecular dynamics (FPMD) simulations. In this context, important advances have been made in recent years, including the development of sophisticated exchange-correlation functionals. On the other hand, simulations based on simple generalized gradient approximation (GGA) functionals remain an active field, particularly in the study of complex aqueous solutions due to a good balance between the accuracy, computational expense, and the applicability to a wide range of systems. Such simulations are often performed at elevated temperatures to artificially "correct" for GGA inaccuracies in the description of liquid water; however, a detailed understanding of how the choice of temperature affects the structure and dynamics of other components, such as solvated ions, is largely unknown. To address this question, we carried out a series of FPMD simulations at temperatures ranging from 300 to 460 K for liquid water and three representative aqueous solutions containing solvated Na + , K + , and Cl - ions. We show that simulations at 390-400 K with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional yield water structure and dynamics in good agreement with experiments at ambient conditions. Simultaneously, this computational setup provides ion solvation structures and ion effects on water dynamics consistent with experiments. Our results suggest that an elevated temperature around 390-400 K with the PBE functional can be used for the description of structural and dynamical properties of liquid water and complex solutions with solvated ions at ambient conditions.

A Workstation for Interactive Display and Quantitative Analysis of 3-D and 4-D Biomedical Images

PubMed Central

Robb, R.A.; Heffeman, P.B.; Camp, J.J.; Hanson, D.P.

1986-01-01

The capability to extract objective and quantitatively accurate information from 3-D radiographic biomedical images has not kept pace with the capabilities to produce the images themselves. This is rather an ironic paradox, since on the one hand the new 3-D and 4-D imaging capabilities promise significant potential for providing greater specificity and sensitivity (i.e., precise objective discrimination and accurate quantitative measurement of body tissue characteristics and function) in clinical diagnostic and basic investigative imaging procedures than ever possible before, but on the other hand, the momentous advances in computer and associated electronic imaging technology which have made these 3-D imaging capabilities possible have not been concomitantly developed for full exploitation of these capabilities. Therefore, we have developed a powerful new microcomputer-based system which permits detailed investigations and evaluation of 3-D and 4-D (dynamic 3-D) biomedical images. The system comprises a special workstation to which all the information in a large 3-D image data base is accessible for rapid display, manipulation, and measurement. The system provides important capabilities for simultaneously representing and analyzing both structural and functional data and their relationships in various organs of the body. This paper provides a detailed description of this system, as well as some of the rationale, background, theoretical concepts, and practical considerations related to system implementation. ImagesFigure 5Figure 7Figure 8Figure 9Figure 10Figure 11Figure 12Figure 13Figure 14Figure 15Figure 16

Design of a positioning system for a holographic otoscope

NASA Astrophysics Data System (ADS)

Dobrev, I.; Flores Moreno, J. M.; Furlong, C.; Harrington, E. J.; Rosowski, J. J.; Scarpino, C.

2010-08-01

Current ear examination procedures provide mostly qualitative information which results in insufficient or erroneous description of the patient's hearing. Much more quantitative and accurate results can be achieved with a holographic otoscope system currently under development. Various ways of accurate positioning and stabilization of the system in real-life conditions are being investigated by this project in an attempt to bring this new technology to the hospitals and clinics, in order to improve the quality of the treatments and operations of the human ear. The project is focused at developing a mechatronic system capable of positioning the holographic otoscope to the patient's ear and maintaining its relative orientation during the examination. The system will be able to be guided by the examiner, but it will maintain the chosen position automatically. To achieve that, various trajectories are being measured for existing otoscopes being guided by doctors in real medical conditions. Based on that, various kinematic configurations are to be synthesized and their stability and accuracy will be simulated and optimized with FEA. For simplification, the mechanism will contain no actuators, but only adjustable friction elements in a haptic feedback control system. This renders the positioning system safe and easily applicable to current examination rooms. Other means of stabilization of the system are being investigated such as custom designed packaging of all of the otoscope subsystems, interferometrically compensating for the heartbeat induced vibration of the tympanic membrane as well as methods for monitoring and active response to the motion of the patient's head.

Work function measurements by the field emission retarding potential method.

NASA Technical Reports Server (NTRS)

Strayer, R. W.; Mackie, W.; Swanson, L. W.

1973-01-01

Description of the theoretical foundation of the field electron retarding potential method, and review of its experimental application to the measurement of single crystal face work functions. The results obtained from several substrates are discussed. An interesting and useful fallout from the experimental approach described is the ability to accurately measure the elastic and inelastic reflection coefficient for impinging electrons to near zero-volt energy.

Clinical Markers for Specific Language Impairment in Italian: The Contribution of Clitics and Non-Word Repetition

ERIC Educational Resources Information Center

Bortolini, Umberta; Arfe, Barbara; Caselli, Cristina M.; Degasperi, Luisa; Deevy, Patricia; Leonard, Laurence B.

2006-01-01

Background: The discovery of clinical markers for specific language impairment (SLI) in children can assist in the accurate identification of children with this disorder, and in a description of the disorder's phenotype for genetic study. One challenge to this type of research is the fact that languages vary in the most salient symptoms of SLI.…

Differential Bundle Functioning Analysis of the Self-Description Questionnaire Self-Concept Scale for Kenyan Female and Male Students Using the MIMIC Model

ERIC Educational Resources Information Center

Mucherah, Winnie; Finch, W. Holmes; Keaikitse, Setlhomo

2012-01-01

Understanding adolescent self-concept is of great concern for educators, mental health professionals, and parents, as research consistently demonstrates that low self-concept is related to a number of problem behaviors and poor outcomes. Thus, accurate measurements of self-concept are key, and the validity of such measurements, including the…