Energy Technology Data Exchange (ETDEWEB)

We report a study of the nonmetal-metal transition of free-standing Pd{sub N} clusters (2{<=}N{<=}21) carried out through two different theoretical approaches that are extensively employed in electronic structure calculations: a semi-empirical tight-binding (TB) model and an ab initio DFT pseudopotential model. The calculated critical size for the metallic transition decreases rapidly with the temperature and an oscillatory dependence with the cluster size is obtained, particularly in the DFT approach. The TB model describes the metallic behavior for cluster sizes beyond N{approx}12 well. Our obtained critical size at room temperature is of the order of the experimental estimation.

Energy Technology Data Exchange (ETDEWEB)

Schemata for modelling combustion processes do not yet include reaction rates for oxygenated fuels like methylal (DMM) which is considered as an additive or replacement for diesel due to its low sooting propensity. Density functional theory (DFT) studies of the possible reaction pathways for different dissociation steps of methylal are presented. Cleavage of a hydrogen bond to the methoxy group or the central carbon atom were simulated at the BLYP/6-311++G{sup **} level of theory. The results are compared to the experiment when dissociating and/or ionising DMM with femtosecond pulses. (author) 1 fig., 1 tab., 1 ref.

Energy Technology Data Exchange (ETDEWEB)

We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water ...

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

UK PubMed Central (United Kingdom)

In this model, without dark matter, the flat rotation curves of galaxies and the mass-to-light ratios of clusters of galaxies are described quantitatively. The hypothesis is that the agent of gravitational...Full Text Available

UK PubMed Central (United Kingdom)

Gene expression data has been used in lieu of phenotype in both classical and quantitative genetic settings. These two disciplines have separate approaches to measuring and interpreting epistasis, which...Full Text Available

Science.gov (United States)

... These assumptions are quantitatively investigated by calculating tie icldti\\e inportance of ... A modified lon-shore current model is used to study the ...

Energy Technology Data Exchange (ETDEWEB)

The surface enhanced Raman scattering (SERS) spectra of piperidine in silver colloid solution, on roughened silver electrode and on roughened silver electrode modified with silver nanoparticles were studied, and the high-quality SERS spectra of piperidine on roughened silver electrode modified with silver nanoparticles were obtained for the first time. Surface selection rules derived from the EM enhancement model were employed to deduce piperidine orientations on the different surfaces. On the basis of this, two models of piperidine adsorbed on the surface of the silver nanoparticles were built, and DFT-B3PW91/LanL2dz was applied to calculate the Raman frequencies. It proves that, at higher potential values, the piperidine is perpendicularly standing on the roughened silver electrode surface though its lone-electron pair, but in silver colloid solution and on the silver nanoparticles modified silver electrode the piperidine ...

Energy Technology Data Exchange (ETDEWEB)

The A(..pi../sup +/,/sup 3/He)B reaction near threshold is studied in a model where the pion is absorbed by an /sup 4/He constituent of the target nucleus. The predictions of this model using harmonic oscillator cluster wave functions agree semi-quantitatively with the experimental data on the inverse reaction.

Energy Technology Data Exchange (ETDEWEB)

The objective of Configuration Risk Management Program(CRMP) is to maintain the safety level by assuring the defense-in-depth of nuclear power plant while the configurations are changed during plant operations, especially for the LP/SD. Such a safety purpose can be achieved by establishing the risk monitoring programs with both quantitative and qualitative features. Generally, the quantitative risk evaluation models, i.e., PRA models are used for the risk evaluation during full power operation, and the qualitative risk evaluation models such as safety function assessment trees are used. Through this study, safety function assessment trees were developed.

UK PubMed Central (United Kingdom)

1. A combined pharmacokinetic-pharmacodynamic model has been used to analyse the relationship between QT prolongation and changes in plasma concentration which occurred after disopyramide was given...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

I discuss several examples of critical phenomena in O(N) models where topological excitations play an important role at criticality. I focus particular attention on the O(2) model in 3D, where recent measurements of the vortex string length distribution in equilibrium suggest the existence of a quantitative picture of the critical behavior in terms of defects. The compatibility of this perspective with renormalization group predictions is examined.

Energy Technology Data Exchange (ETDEWEB)

Transient Enhanced Diffusion (TED) is one of the biggest modeling challenges present in predicting scaled technologies. Damage from implantation of dopant ions changes the diffusivities of the dopants and precipitates to form complex extended defects. Developing a quantitative model for the extended defect behavior during short time, low temperature anneals is a key to explaining TED. This paper reviews some of the modeling developments over the last several years, and discusses some of the challenges that remain to be addressed. Two examples of models compared to experimental work are presented and discussed.

Energy Technology Data Exchange (ETDEWEB)

This report to the Nuclear Regulatory Commission (NRC) describes the development and application of a methodology to systematically and quantitatively assess predictive uncertainty in groundwater flow and transport modeling that considers the combined impact of hydrogeologic uncertainties associated with the conceptual-mathematical basis of a model, model parameters, and the scenario to which the model is applied. The methodology is based on a n extension of a Maximum Likelihood implementation of Bayesian Model Averaging. Model uncertainty is represented by postulating a discrete set of alternative conceptual models for a site with associated prior model probabilities that reflect a belief about the relative plausibility of each model based on its apparent consistency with ...

International Nuclear Information System (INIS)

A mathematical and physical model was constructed describing the hydrodynamics of the two-phase mixture in the horizontal steam generator. The HP 9830 A desk-top calculator was used for the computations. The output variable of the solution was the level shape. A quantitative and qualitative comparison was made of the results of computations and experimental data. (author).

International Nuclear Information System (INIS)

The advent of aberration correction for electron microscope lenses has produced a significant advance in the improvement of resolution in microscopy. This improvement, while significant in itself, promises to have its most profound impact in materials science when it delivers quantitative information to challenge models and modellers. This capability for an electron microscope-modelling synergy to deliver useful results at the atomic level is not yet firmly established. For this reason, one of the major challenges for electron microscopy in materials science over this decade is to study systems where electron microscopists and modellers can work collaboratively. This paper explores some examples.

Science.gov (United States)

Abstract Background: Aution Max AX-4030, a test strip analyzer recently introduced to the market, represents an upgrade of the Aution Max AX-4280 widely employed for urinalysis. This new instrument model can allocate two different test strips at the same time. In the present study the two instruments have been compared together with the usage of Uriflet 9UB and the recently produced Aution Sticks 10PA urine strips, the latter presenting an additional test area for the measurement of urinary creatinine. Methods: Imprecision and correlation between instruments and strips have been evaluated for chemical-physical parameters. Accuracy was evaluated for protein, glucose and creatinine by comparing the semi-quantitative results to those obtained by quantitative methods. The well-known interference effect of high ascorbic acid levels on urine glucose test strip determination was evaluated, ascorbic acid influence was also ...

Science.gov (United States)

In this article, we propose a model selection method, the Bayesian composite model space approach, to map quantitative trait loci (QTL) in a half-sib population for continuous and binary traits. In our method, the identity-by-descent-based variance component model is used. To demonstrate the performance of this model, the method was applied to map QTL underlying production traits on BTA6 in a Chinese half-sib dairy cattle population. A total of four QTLs were detected, whereas only one QTL was identified using the traditional least square (LS) method. We also conducted two simulation experiments to validate the efficiency of our method. The results suggest that the proposed method based on a multiple-QTL model is efficient in mapping multiple QTL for an outbred half-sib population and is more powerful than the LS method based on a single-QTL ...

Energy Technology Data Exchange (ETDEWEB)

Green River oil shale was air oxidized at subretorting temperatures. Off gases consisting of nitrogen, oxygen, carbon monoxide, carbon dioxide, and water were monitored and quantitatively determined. A mathematical model of the oxidation reactions based on a shrinking core model has been developed. This model incorporates the chemical reaction of oxygen and the organic material in the oil shale as well as the diffusivity of the oxygen into the shale particle. Diffusivity appears to be rate limiting for the oxidation. Arrhenius type equations, which include a term for oil shale grade, have been derived for both the chemical reaction and the diffusivity.

International Nuclear Information System (INIS)

Computer software for risks assessment of transportation of important freight has been developed. It incorporates models of transport accidents, including terrorist attacks. These models use, among the others, unput data of cartographic character. Geographical information system technology and electronic maps of an area are involved as an instrument for handling this kind of data. Fuzzy set theory methods as well as standard methods of probability theory have been used for quantitative risk assessment. Fuzzy algebraic operations and their computer realisation are discussed. One preliminary example of risk assessment is described. (authors)

International Nuclear Information System (INIS)

The current Risk-informed Regulation (RIR) framework employs both a Level 1 Core Damage Frequency (CDF) and a Level 2 Large Early Release Frequency (LERF) as two surrogate measures for the plant risk. For their use in making regulatory decisions for the plant risk, it has been required to maintain an appropriate level of quality for the plant risk models. The first step for this purpose is to evaluate the quality of the PSA model in a qualitative or quantitative manner. Recently, a similar type of quality evaluation has been made for the KSNP Level 1 PSA model based on an ASME PRA Standard for the RIR application, but not for the corresponding LERF model. The main objective of this paper is to provide the ASME PRA Standard-based evaluation result for the existing KSNP Level 2 LERF model and the insights obtained from the evaluation process

International Nuclear Information System (INIS)

The diffusion of ion beam injected self-interstitials (I) and their interaction with impurities in crystalline Si has been investigated and modeled. In particular, the I-substitutional carbon (C) interactions have been studied, using a molecular-beam-epitaxy grown Si_1_-_yC_y layer interposed between the shallow I-source and a deeper B-spike (marker for I-concentration). Substitutional C atoms are shown to trap I's, to be removed from their substitutional sites, and to form stable precipitates into the C-rich region. The I-trapping mechanism was quantitatively studied by a simulation code. The reactions causing trapping and deactivation are described. In addition, the boron markers approach was extended to the two dimensional (2D) diffusion. High resolution scanning capacitance microscopy was used for quantitative measurements of the 2D boron transient enhanced diffusion induced on a boron delta array by the I's ion beam ...

International Nuclear Information System (INIS)

To make a quantitative comparison of risks between the SNR 300 and a modern PWR (Biblis B), the consequences of an accident or the extent of damage of a release of radionuclides to the environment due to an accident are estimated by computer programs for accident consequence models. The accident analysis includes an analysis of events for Bethe-Tait accidents with failure of the outer containment. The FGSB release rates are compared with those of the Society for Reactor Safety (GRS). (HP).

Environmental Research Database

DescriptionRemote sensing of the sea surface from satellites in near-polar orbits has contributed greatly to our understanding of the links between physical and biological processes in marine systems. However most of this progress has been made in open oceanic waters or major upwelling areas, and many unresolved problems are encountered in coastal regions and shelf seas. In these optically complex waters, quantitative remote sensing requires a more sophisticated interpretation strategy than that implemente [continued...

International Nuclear Information System (INIS)

The energy-versus-volume curve of the spin-density wave (SDW) in body-centred-cubic Cr is calculated with the density functional theory/full-potential linearized augmented plane wave (DFT/FLAPW) method using the generalized gradient approximation (GGA). The predicted ground state is not the SDW, in contrast to an earlier FLAPW calculation. A conjecture is formulated that the widely varying results of the local density approximation (LDA) and GGA - and of different solution methods - can be scaled by the size of the calculated moment. As a consequence, experimentally relevant properties of the SDW can be calculated by tuning the moment. The implications of these results for the ability of DFT to describe Cr are discussed. (author)

British Library Electronic Table of Contents (United Kingdom)

The mechanism of the IndolPhos-Rh-catalyzed asymmetric hydrogenation of prochiral olefins has been investigated by means of X-ray crystal structure determination, kinetic measurements, high-pressure NMR spectroscopy, and DFT calculations. The mechanistic study indicates that the reaction follows an unsaturate/dihydride mechanism according to Michaelis-Menten kinetics. A large value of KM (KM=5.01+-0.16 M) is obtained, which indicates that the Rh-solvate complex is the catalyst resting state, which has been observed by high-pressure NMR spectroscopy. DFT calculations on the substrate-catalyst complexes, which are undetectable by experimental means, suggest that the major substrate-catalyst complex leads to the product. Such a mechanism is in accordance with previous studies on the mechanism...

Energy Technology Data Exchange (ETDEWEB)

We summarize recent developments in x-ray microscopy of polymers by focusing on the characterization of organic electronic devices. The quantitative compositions of model polymer blends have been mapped at a resolution of {approx}35 nm. Since it could be inferred that these devices have structures smaller than 35 nm, quantitative compositional mapping at length scales below the present resolution limit of x-ray microscopy is required. Organic devices thus serve to both highlight the success of NEXAFS microscopy to date, but to also outline the very real need for higher spatial resolution. New approaches to create improved optics or different acquisition modalities are required if x-ray microscopy is to make sustained contributions to such an important area of research as organic devices.

Energy Technology Data Exchange (ETDEWEB)

The author presents a detailed and quantitative description of all of the programs, systems, sensors and experiments associated with the next 30 years of space endeavors by the National Aeronautics and Space Administration. Derived from the fifth issue of the NASA Space Systems Technology Model, the missions and payloads are categorized by applications area: solar system exploration, astrophysics, earth sciences, communications, space transportation and utilization of the space environment. Far-term missions are described as opportunity missions and landmark missions, for the distant future. Technology requirements are collected by discipline: power, propulsion, materials, structures, information systems, navigation, guidance and control. Payload technology requirements are organized by instrument sensing range. This information defines in quantitative terms, the opportunities and limits for future civilian space system ...

Energy Technology Data Exchange (ETDEWEB)

In the framework of the carbon storage two forestry methods are analyzed by the author: the standing capitalization (slowing of the crops) and the spices substitution (slow growing species by fast growing species). The construction of a model taking into account the all stage of the carbon implication (biomass, soil, forest products) offers simulation and quantitative results on these methods. (A.L.B.)

British Library Electronic Table of Contents (United Kingdom)

A problem of the catalytic activity definition for metals, binary metallic alloys, and semiconductor materials is considered within new quantum mechanical and electrodynamics approach in the electron theory of catalysis. The quantitative link between the electron structure parameters of the materials and their catalytic activity on example of simple model reactions of the following type are found: H = H+ + e, O2 + e- = O2-. Copyright 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009

Energy Technology Data Exchange (ETDEWEB)

A new methodology for three-dimensional (3-D) numerical modeling of the continuous steel casting process is presented and evaluated. The results are compared with available experimental data obtained in a water-oil mold model for various flow rates and immersion depths of the submerged entry nozzle. The water-oil interface pattern at the top of the mold is also investigated. Wave formation and evolution in time is simulated with a volume tracking method. The predicted flow field inside the mold exhibits quite satisfactory agreement with the corresponding measurements, whereas some quantitative differences are observed referring to the final wave amplitude at low casting speeds. Conclusions of scientific and engineering importance concerning both the computer algorithm and the mold performance are also drawn.

CERN Document Server

Simple, one-zone models for inhomogeneous chemical evolution of the Galactic halo are used to predict the number fraction of zero-metallicity, Population III stars, which currently is empirically estimated at < 4e-4. These analytic models minimize the number of free parameters, highlighting the most fundamental constraints on halo evolution. There are disagreements of at least an order of magnitude between observations and predictions in limiting cases for both homogeneous Simple Model and Simple Inhomogeneous Model (SIM). Hence, this demonstrates a quantitative, unambiguous discrepancy in the observed and expected fraction of Population III stars. We explore how the metallicity distribution of the parent enrichment events f(z_0) drives the SIM and predictions for the Population III fraction. The SIM shows that the previously-identified "high halo" and "low halo" populations are ...

Energy Technology Data Exchange (ETDEWEB)

The final report for a Laboratory Directed Research and Development project entitled, ``Capturing Recrystallization of Metals in a Multiscale Materials Model'' is presented. In this project, deformation and recrystallization processes have been followed experimentally and theoretically in order to incorporate essential mechanisms from the defect (dislocation) and grain size length scales. A nonlinear rotational gradient theory has been developed which enables the incorporation of microstructural parameters. The evolution of these parameters during deformation and recrystallization has been characterized qualitatively and quantitatively, applying various electron optic techniques ranging over several length scales. The theoretical and experimental framework developed is general. It has been exemplified by an application to recrystallization in single crystals and bicrystals of aluminum. The recrystallization process has been ...

Energy Technology Data Exchange (ETDEWEB)

Quantitative estimates of lung cancer risk from exposure to diesel engine emissions were developed using data from three chronic bioassays with Fischer 344 rats. Human target organ dose was estimated with the aid of a comprehensive dosimetry model. This model accounted for rat-human differences in deposition efficiency, normal particle clearance rates, transport of particles to lung-associated lymph nodes, respiration rates, and lung surface area, as well as high-dose inhibition of particle clearance. Recent evidence indicates that the inert carbon core of the diesel particulate matter is likely to be the primary source of carcinogenicity. The epithelial tissue lining the alveoli and lower airways is the primary target site for induction of lung tumors. Dose was therefore based upon the concentration of carbon particulate matter per unit lung surface area. Unit risk estimates were developed using either a time-to-tumor or a ...

Energy Technology Data Exchange (ETDEWEB)

The overall objective of this project has been to develop immunochemical methods to quantitate unique DNA base damages in order to facilitate studies on radiation-induced damage production and repair. Specifically, we have been using antibodies raised to damaged bases to quantitate unique lesions in model systems in order to evaluate their potential biological consequences. Our approach has been to synthesize modified nucleotides or nucleosides, conjugate them to protein carriers, and use the conjugates as immunogens in rabbits or to prepare monoclonal antibodies. We have been studying damages that are stable radiolysis products found in X-irradiated DNA and thus of potential biological consequence. Our aim is to build an in vitro and in vivo data base on the interactions between model DNA lesions and such cellular enzymes as DNA polymerases and repair endonucleases. Initial studies have focused on ...

Energy Technology Data Exchange (ETDEWEB)

Atomic Energy of Canada has recently submitted for regulatory and public review an Environmental Impact Statement (EIS) on a concept for disposal of Canada`s nuclear fuel waste. The EIS is supported by nine primary references that summarize major aspects of the concept, including a postclosure environmental and safety assessment. The scope of the postclosure assessment is largely determined by the requirements of the Atomic Energy Control Board (AECB) of Canada. These requirements include a quantitative estimate of the annual effective dose equivalent to an individual in the most exposed group of people (the critical group) for 10,000 years following closure of the disposal facility, and a radiological risk criterion with an associated dose rate limit of 0.05 mSv/a. Over this long time frame, a quantitative assessment cannot be based on actual observations, and thus we use scientific arguments and simulations with mathematical ...

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interaction to the magnetic structure in USb2 compound. The result shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons.

Energy Technology Data Exchange (ETDEWEB)

A performance assessment of the operating Solid Waste Storage Area 6 (SWSA 6) facility for the disposal of low-level radioactive waste at the Oak Ridge National Laboratory has been prepared to provide the technical basis for demonstrating compliance with the performance objectives of DOE Order 5820.2A, Chapter 111.2 An analysis of the uncertainty incorporated into the assessment was performed which addressed the quantitative uncertainty in the data used by the models, the subjective uncertainty associated with the models used for assessing performance of the disposal facility and site, and the uncertainty in the models used for estimating dose and human exposure. The results of the uncertainty analysis were used to interpret results and to formulate conclusions about the performance assessment. This paper discusses the approach taken in analyzing the uncertainty in the performance assessment and the ...

International Nuclear Information System (INIS)

By using a variational Monte Carlo method, we examine an effective low-energy model for LaFeAsO derived from an ab initio downfolding scheme. We show that quantum and many-body fluctuations near the antiferromagnetic (AF) quantum critical point largely reduce the antiferromagnetic ordered moment. Our derived model not only quantitatively reproduces the small ordered moment in LaFeAsO, but also accounts for the diversity from LaFePO, BaFe_2As_2 to FeTe. Electron correlation is found to determine the observed material dependence. We also find that LaFeAsO is subject to large orbital fluctuations, sandwiched by the AF Mott insulator and weakly correlated metals. The orbital fluctuations and Dirac-cone dispersion hold keys for the diverse magnetic properties. (author)

International Nuclear Information System (INIS)

Computer software for risk assessment of transportation of important freight has been developed. It incorporates models of transport accidents, including terrorist attacks. These models use, among the others, input data of cartographic character. Geographic information system technology and electronic maps of a geographic area are involved as an instrument for handling this kind of data. Fuzzy set theory methods as well as standard methods of probability theory have been used for quantitative risk assessment. Fuzzy algebraic operations and their computer realization are discussed. Risk assessment for one particular route of railway transportation is given as an example. (author)

British Library Electronic Table of Contents (United Kingdom)

In this study, a two-stage support-vector-regression optimization model (TSOM) is developed for the planning of municipal solid waste (MSW) management in the urban districts of Beijing, China. It represents a new effort to enhance the analysis accuracy in optimizing the MSW management system through coupling the support-vector-regression (SVR) model with an interval-parameter mixed integer linear programming (IMILP). The developed TSOM can not only predict the city's future waste generation amount, but also reflect dynamic, interactive, and uncertain characteristics of the MSW management system. Four kernel functions such as linear kernel, polynomial kernel, radial basis function, and multi-layer perception kernel are chosen based on three quantitative simulation performance criteria [i.e....

Energy Technology Data Exchange (ETDEWEB)

The thesis deals with methods of describing the reservoir rock in central oil and gas fields on the Norwegian continental shelf. Methods of enhancing the level of recovery are dealt with. Following topics are given: Sand body dimensions and infill sequences of stable, humid-climate delta plain channels; minipermeameter-based study of permeability trends in channel sand bodies; significance of tidal cyclicity for modelling of reservoir heterogeneities in the lower Jurassic Tilje Formation, mid-Norwegian shelf; geometry and facies of large-scale flow units in fluvial-dominated fan-delta-front sequences; quantified fluvial architecture in ephemeral stream deposits of the Esplugafreda Formation (Palaeocene), Tremp-Graus Basin, northern Spain; the Safari project - collection and storage of field analogue data for quantitative reservoir modelling; sedimentary architecture of field analogues for reservoir information (SAFARI): a ...

Energy Technology Data Exchange (ETDEWEB)

The NA50 Collaboration has recently observed a strong suppression of {ital J}/{psi} production in Pb-Pb collisions at 158GeV/nucleon. We show that this recent observation finds a quantitative explanation in a model which relates the suppression mechanism to the local energy density, whose value is higher in Pb-Pb collisions than in any other system studied previously. The sensitivity of the phenomenon to small changes in the energy density could be suggestive of quark-gluon plasma formation. {copyright} {ital 1996 The American Physical Society.}

Science.gov (United States)

A detection theory is developed for point-contact metal-oxide-metal (MOM) systems. A system with heterogeneous oxide strongly bonded to the substrate is considered. It is shown that the form of the functional connection between the barrier heights and the ultimate compressive strength of the oxide has no substantial influence on the voltage-current characteristics of the system. Quantitative analysis indicates that a MOM system can behave as a tunnel diode and as a diode with a Schottky barrier. The model permits the determination of the optimum construction of long-life detectors based on MOM point-contacts.-

Energy Technology Data Exchange (ETDEWEB)

The report deals with: (1) two-phase flow regime transitions, (2) liquid entrainment in break flow, (3) vapor pull-through, and (4) CCFL in horizontal ducts. The first three processes influence the mass flow through the break, whereas the fourth one imposes a limit on liquid flow from the steam generator through the hot leg break into the core. Correlations available in the literature which deal with these processes are presented and applied to a hot leg of a PWR, LOFT and Semiscale for quantitative estimates, as well as for determining the scale distortion in the latter two facilities.

Science.gov (United States)

(B204)Probabilistic risk assessment (PRA) insights are now used by the United States Nuclear Regulatory Commission (USNRC) to confirm the level of safety for plant operations and to justify changes in nuclear power plant operating requirements, both on an exception basis and as changeds to a plant's licensing basis. This report examines qualitative and quantitative risk assessments during shutdown plant states, providing feedback to utilities in the use of qualitative models for outage risk management, and also providing input to the development of the American Nuclear Society (ANS) Low Power and Shutdown PRA Standard.

International Nuclear Information System (INIS)

Josephson effect heterodyne mixers with external local oscillators are very promising low noise mm-wave receivers for applications such as radio astronomy. Experiments at 36 GHz have shown that both the noise and the conversion efficiency of mixers made using Nb point contacts are in quantitative agreement with values calculated from the resistively shunted junction (RSJ) model. Preliminary measurements at 140 GHz suggest that this agreement extends to higher frequencies. In this paper the theoretical limits to the sensitivity of such receivers are explored as a function of the signal frequency. (Auth.).

Energy Technology Data Exchange (ETDEWEB)

Fractal dimensional analysis was employed to obtain a quantitative measure of the morphology of polymer networks formed by UV irradiation induced polymerization of photo-reactive mesogenic monomers dissolved in a liquid crystal host medium. The fractal dimensions obtained, may be interpreted by polymer network growth following a percolation-like model for monomer concentrations well below the solubility limit. On passing the solubility limit, the polymerization process changes from a (radical chain) solution polymerization to a dispersion polymerization, with fractal dimensions decreasing and suggesting a cluster-cluster aggregation process for monomer concentrations above the solubility limit, similar to the aggregation of colloidal particles.

Energy Technology Data Exchange (ETDEWEB)

The addition of carbon to samples, during imaging, presents a barrier to accurate TEM analysis, the controlled deposition of hydrocarbons by a focused electron beam can be a useful technique for local nanometer-scale sculpting of material. Here we use hydrocarbon deposition to form nanopores from larger focused ion beam (FIB) holes in silicon nitride membranes. Using this method, we close 100-200nm diameter holes to diameters of 10nm and below, with deposition rates of 0.6nm per minute. I-V characteristics of electrolytic flow through these nanopores agree quantitatively with a one dimensional model at all examined salt concentrations.

CERN Document Server

We provide a both qualitative and quantitative comparison among different approaches aimed to solve the problem of non-linear diffusive acceleration of particles at shocks. In particular, we show that state-of-the-art models (numerical, Monte Carlo and semi-analytical), even if based on different physical assumptions and implementations, for typical environmental parameters lead to very consistent results in terms of shock hydrodynamics, cosmic ray spectrum and also escaping flux spectrum and anisotropy. Strong points and limits of each approach are also discussed, as a function of the problem one wants to study.

Energy Technology Data Exchange (ETDEWEB)

Geological, geophysical, thermal, petrophysical and hydrological data available for the East Mesa hydrothermal system that are pertinent to the construction of a computer model of the natural flow of heat and fluid mass within the system are assembled and correlated. A conceptual model of the full system is developed and a subregion selected for quantitative modeling. By invoking the Boussinesq approximation, valid for describing the natural flow of heat and mass in a liquid hydrothermal system, it is found practical to carry computer simulations far enough in time to ensure that steady-state conditions are obtained. Initial calculations for an axisymmetric model approximating the system demonstrate that the vertical formation permeability of the deep East Mesa system must be very low (k/sub v/ approx. 0.25 to 0.5 md). Since subsurface temperature and surface heat flow data exhibit ...

International Nuclear Information System (INIS)

The uptake of sup(99m)Tc-methylenediphosphonate (MDP) in different parts of rat femur was simulated using a local three-space model for tracer transfer. The model consisted of bone blood, bone ECF-space and space for tracer deposition. The measured sup(99m)Tc-MDP concentration in the systemic blood and the local bone blood flow measured by "1"3"1I-macroaggregated albumin microspheres were used as input parameters. The measured blood flow values were 6.3, 3.1 and 15.3 ml/100 g/min for proximal, middle and distal femur, respectively. the model parameters that gave the best fit to measured sup(99m)Tc-MDP uptake curves in computer simulation showed that bone blood flow, volume of ECF-space, permeability surface area product and accretion constant from ECF-space to space for tracer deposition were highest in distal and lowest in middle femur. The values corresponded to peak extraction fractions of 0.38, 0.62, and 0.31 for ...

British Library Electronic Table of Contents (United Kingdom)

This article presents a hands-on web-based activity motivated by the relation between human health and ozone pollution in California. This case study is based on multivariate data collected monthly at 20 locations in California between 1980 and 2006. Several strategies and tools for data interrogation and exploratory data analysis, model fitting and statistical inference on these data are presented. All components of this case study (data, tools, activity) are freely available online at: http://wiki.stat.ucla.edu/socr/index.php/SOCR_MotionCharts_CAOzoneData. Several types of exploratory (motion charts, box-and-whisker plots, spider charts) and quantitative (inference, regression, analysis of variance (ANOVA)) data analyses tools are demonstrated. Two specific human health related questions...

Energy Technology Data Exchange (ETDEWEB)

Advances in the theory and practice of stress corrosion cracking (SCC) are reviewed for the period 1965-1990. The proceedings of two landmark conferences are used as a basis for discussion: Ohio State University (1967) and Kohler, WI (1988). The discussion is developed around the following topics: metal-environment combinations, testing, fractography, metallurgical aspects, electrochemical aspects and crack chemistry, mechanisms, and prediction and mitigation. It is concluded that the main developments since 1967 are the recognition of the lack of specificity of SCC environments, the use of slow strain rate and fracture mechanics testing, quantitative SEM fractography, studies of grain boundary structure and compositions, transient electrochemistry of bare metal surfaces, measurement and modelling of crack chemistry, elaboration of several SCC models, including slip-dissolution and film induced cleavage, and mitigation by ...

International Nuclear Information System (INIS)

A linear diffusion model serves as the basis for determination of an effective radon diffusion coefficient in concrete. The coefficient was needed to later allow quantitative prediction of radon accumulation within and behind concrete walls after application of an impervious radon barrier. A resolution of certain discrepancies noted in the literature in the use of an effective diffusion coefficient to model diffusion of a radioactive gas through a porous medium is suggested. An outline of factors expected to affect the concrete physical structure and the effective diffusion coefficient of radon through it is also presented. Finally, a field method for evaluating effective radon diffusion coefficients in concrete is proposed and results of measurements performed on a concrete foundation wall are compared with similar published values of gas diffusion coefficients in concrete. (author).

International Nuclear Information System (INIS)

Molecular cluster predictions for electronic energy levels, wave functions, momentum densities, and Compton profiles of VO and VO_2 are examined within the Hartree-Fock-Slater model. VO_6 clusters are treated in O/subh/, D_4/subh/, and D_2/subh/ symmetry to obtain quantitative relations between distortion parameters and level shifts and splittings. Effects of the crystal environment are taken into account by a potential field. Results for VO are consistent with the augmented plane-wave band calculation of Mattheiss and x-ray emission data; the VO_2 levels are in good agreement with x-ray photoelectron spectroscopy data. A sizable anisotropy is predicted for the Compton profile of VO and VO_2.

International Nuclear Information System (INIS)

Based on the generalized gradient approximation (GGA) of density functional theory (DFT) and the full-potential linearized augmented plane wave (FLAPW) at the level including all electrons, the lattice parameters of graphite are calculated and optimized. Some elastic wave velocities transmitted in graphite are deduced. Using the methods of elastic wave velocity method and the atomic displacement method, the Debye frequency of graphite is obtained. The standard heat capacity, entropy, sublimation enthalpy of graphite is deduced at 289.5 k and 1 atm. The calculated results are discussed and compared with experimental data. (authors)

Energy Technology Data Exchange (ETDEWEB)

We describe a stochastic inversion method for mapping subsurface regions where the electrical resistivity is changing. The technique combines prior information, electrical resistance data and forward models to produce subsurface resistivity models that are most consistent with all available data. Bayesian inference and a Metropolis simulation algorithm form the basis for this approach. Attractive features include its ability to: (1) provide quantitative measures of the uncertainty of a generated estimate and, (2) allow alternative model estimates to be identified, compared and ranked. Methods that monitor convergence and summarize important trends of the posterior distribution are introduced. Results from a physical model test and a field experiment were used to assess performance. The stochastic inversions presented provide useful estimates of the most probable location, shape, and ...

Energy Technology Data Exchange (ETDEWEB)

To address the need for integrated models of advanced power generation systems and for improved analysis techniques, the US Department of Energy (DOE), through the Morgantown Energy Technology Center (METC), has supported the development of performance, emissions, and cost models of several advanced power generation systems, including integrated gasification combined cycle (IGCC), externally-fired combined cycle (EFCC) and pressurized fluidized bed combustion (PFBC) concepts. Simultaneously, numerical methods for simulation of uncertainties and optimization of process flowsheets have been implemented in the DOE`s public version of ASPEN. The new process models and computational capabilities have been applied to demonstrate the benefits of quantitative approaches to dealing with uncertainty and for optimizing technologies in the face of uncertainty. This paper focuses on modeling and ...

Energy Technology Data Exchange (ETDEWEB)

The analysis described demonstrates the use of benefit/cost sensitivity analysis in examining the wide range of potential damages and savings associated with converting oil-fired electric utility boilers to burn coal in Florida. This model, for the first time incorporates, in quantitative terms, environmental economic externalities into a benefit/cost ratio sensitivity analysis framework. Five different dose-response estimates of morbidity and mortality costs, property devaluation, and willing-to-pay estimates are used in combination with four acid rain dose-response models to estimate the net present worth of externality costs. The model estimates the net present worth of benefits by incorporating into a dynamic framework all relevant construction, O + M, and fuel costs of converting an electrical generation facility from using oil to coal. These benefits of fuel savings are then weighted against ...

UK PubMed Central (United Kingdom)

The evaluation of biological markers is recognized as necessary to the future of toxicology, epidemiology, and quantitative risk assessment. For biological markers to become widely accepted, their validity...Full Text Available

International Nuclear Information System (INIS)

Purpose: The predictive potential of tumor cell kinetic parameters may be improved when they are studied in relation to other microenvironmental parameters. The purpose of this investigation was to quantitatively categorize human tumor samples according to proliferation patterns. Second, it was examined whether these characteristics are retained after xenotransplantation. Methods and Materials: Fifty tumor samples from head-and-neck cancer patients were immunohistochemically stained for Ki-67 and vessels. Also, parts of the samples were transplanted into nude mice. Tumors were categorized according to previously described patterns of proliferation. Vascular and proliferation patterns were analyzed using an image processing system. Results: The 50 tumors were categorized into four patterns of proliferation by visual assessment: marginal (6), intermediate (10), random (21), and mixed (12). One tumor could not be classified. These patterns were quantified by ...

CERN Document Server

Synthesis of protein molecules in a cell are carried out by ribosomes. A ribosome can be regarded as a molecular motor which utilizes the input chemical energy to move on a messenger RNA (mRNA) track that also serves as a template for the polymerization of the corresponding protein. The forward movement, however, is characterized by an alternating sequence of translocation and pause. Using a quantitative model, which captures the mechanochemical cycle of an individual ribosome, we derive an {\\it exact} analytical expression for the distribution of its dwell times at the successive positions on the mRNA track. Inverse of the average dwell time satisfies a ``Michaelis-Menten-like'' equation and is consistent with the general formula for the average velocity of a molecular motor with an unbranched mechano-chemical cycle. Extending this formula appropriately, we also derive the exact force-velocity relation for a ribosome. Often many ribosomes ...

International Nuclear Information System (INIS)

In order to improve the reliability of PWR steam generators, we have performed research to improve the tubing material and tube-support-plate configuration, based on our wide operating experience, and have developed and verified Alloy TT690 as the optimum tubing material and the BEC (Broached Egg Crate) type tube-support design. In the research, we have studied the metallurgical mechanism of the alloy to improve its corrosion resistance, evaluated corrosion susceptible region quantitatively, estimated the actual environment in a steam generator and confirmed the reliability by a model boiler test over a long period. It has been verified that the steam generator with the latest design has higher reliability with respect to the corrosion resistance of tubes. (author).

British Library Electronic Table of Contents (United Kingdom)

Terrain attributes derived from digital elevation models have been used widely for mapping soil organic matter (SOM). Among these attributes, the topographic wetness index (TWI), an index for quantitatively indicating the balance between water accumulation and drainage conditions at the local scale, has been shown to correlate with SOM. However, TWIs used in most studies are calculated using a single-flow-direction (SFD) algorithm, which assumes that all water from a grid cell flows into only one neighboring cell. This assumption is not always valid, especially in areas with low relief where movement of water may be divergent. To overcome this SFD limitation, a multiple-flow-direction (MFD) algorithm has been developed, which distributes flow from a grid cell to several downslope neighbors...

Energy Technology Data Exchange (ETDEWEB)

In order to promote environmental damage monitoring and environmental impacts assessment caused by mining in China, the most significant project that uses advanced Earth Observation technology to assess environmental impacts caused by mining, namely MINEO (assessment and monitoring the environmental impact of mining activities in Europe using advanced Earth Observation technology) was introduced and its enlightenment to China were investigated. It was proposed that an integrated technical framework of monitoring environmental impacts caused by mining be designed, quantitative inversion of biological and environmental parameters from RS data be emphasised, hyperspectral Remote Sensing be applied, RS and GIS be integrated with professional models, multi-object applications of RS be implemented, and related standards and specification be drawn up based on typical case study sites. 23 refs., 1 fig.

International Nuclear Information System (INIS)

Since high resolution sequence stratigraphy was introduced into China by DENG Hong-wen in 1995, it has been experienced two development stages in China which are the beginning stage of theory research and development of theory research and application, and the stage of theoretical maturity and widely application that is going into. It is proved by practices that high resolution sequence stratigraphy plays more and more important roles in the exploration and development of oil and gas in Chinese continental oil-bearing basin and the research field spreads to the exploration of coal mine, uranium mine and other strata deposits. However, the theory of high resolution sequence stratigraphy still has some shortages, it should be improved in many aspects. The authors point out that high resolution sequence stratigraphy should be characterized quantitatively and modelized by computer techniques. (authors)

Energy Technology Data Exchange (ETDEWEB)

Chemical characterization of passive films formed on AISI 304 austenitic stainless steel, in a borate/boric acid solution at pH 9.2, under various conditions of potential, temperature, and polarizations time, was made by Auger electron spectroscopy combined with ion sputtering, and x-ray photoelectron spectroscopy (XPS). The depth chemical composition, thickness, and duplex character of the passive layers were determined after processing AES sputter profiles by their quantitative approach based on the sequential layer sputtering model. Moreover, separated contributions of elements in their oxidized and unoxidized state could be disclosed from part to part of the oxide-alloy interface. The XPS study specified the chemical bondings which take placed inside the film, between Fe and oxygen (and water).

International Nuclear Information System (INIS)

We study the thermodynamics of a one-dimensional attractive Fermi gas (the Gaudin-Yang model) with spin imbalance. The exact solution has been known from the thermodynamic Bethe ansatz for decades, but it involves an infinite number of coupled nonlinear integral equations whose physics is difficult to extract. Here the solution is analytically reduced to a simple, powerful set of four algebraic equations. The simplified equations become universal and exact in the experimental regime of strong interaction and relatively low temperature. Using the new formulation, we discuss the qualitative features of finite-temperature crossover and make quantitative predictions on the density profiles in traps. We propose a practical two-stage scheme to achieve accurate thermometry for a trapped spin-imbalanced Fermi gas.

British Library Electronic Table of Contents (United Kingdom)

Abstract The healing of predominantly metaphyseal fractures in postmenopausal osteoporosis is delayed and comparatively poor. Due to the potential side effects of HRT, natural alternatives are appealing. The aim of this study was to determine whether Cimicifuga racemosa extract BNO 1055 improves metaphyseal fracture healing in severe osteopenic bone in rats. Thirty three 12 week old female rats developed severe osteopenia during 10 weeks after ovariectomy. After metaphyseal tibial osteotomy and standardized T plate osteosynthesis, the healing periods in ovariectomized rats (C), 17 estradiol (E) and Cimicifuga racemosa (CR) supplemented diets were assessed for 35 days. Changes in callus morphology were evaluated qualitatively by biomechanical testing and quantitatively in microradiographies...

Energy Technology Data Exchange (ETDEWEB)

Thermo-hygro-rheology of wood-adhesive systems plays an important role during the hot pressing process of wood based composites. The principal objective of this research is to quantitatively study the thermo-hygro rheological characteristics of wood-adhesive systems used in such composites. This is with a view to providing material characteristics which may be used in simulation models of industrial hot-pressing operations. For this purpose, a specially designed miniature hot press system mounted on a servo-hydraulic testing machine was used to compress pre-formed fiber networks. The environment for each test was maintained uniform throughout the specimen by pre-treating it inside the system until the desired conditions of temperature and moisture were achieved. Experiments were conducted under a range of test conditions of load (1 to 6 MPa), temperature (25 to 150C) and moisture content (0 to 16%). A five-element rheological ...

Energy Technology Data Exchange (ETDEWEB)

There are several methods for the risk assessment and risk management applied to pipelines, among them the Muhlbauer's Method. W. Kent Muhlbauer is an internationally recognized authority on pipeline risk management. He made a detailed identification about 300 distinct conditions that influence the risk assessment in pipelines and he proposed a score system that is known as method of Muhlbauer. The purpose of this model is to evaluate the public exposure to the risk and identify ways for management that risk in fact. The assessment is made by the attribution of quantitative values to the several items that influences in the pipeline risk. This paper approaches the Muhlbauer's basic model for risk assessment and management in pipelines. In the beginning, the basic model for risk assessment is presented, and methodology for pipelines in onshore environment is detailed. After, presents ...

International Nuclear Information System (INIS)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd_2Si_2 are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd_2Si_2, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-T properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about ...

Science.gov (United States)

A "hemispheres-in-cell" geometry is provided for prediction of colloid retention during transport in porous media. This new geometry preserves the utilities provided in the Happel sphere-in-cell geometry; namely, the ability to predict deposition for a range of porosities, and representation of the influence of neighboring collectors on the fluid flow field. The new geometry, which includes grain to grain contact, is justified by the eventual goal of predicting colloid deposition in the presence of energy barriers, which has been shown in previous literature to involve deposition within grain to grain contacts for colloid:collector ratios greater than approximately 0.005. In order to serve as a platform for predicting deposition in the presence of energy barriers, the model must be shown capable of quantitatively predicting deposition in the absence of energy barriers, which is a requirement that was not met by previous grain to grain contact ...

Energy Technology Data Exchange (ETDEWEB)

The primary objectives of this study were to test two utility analysis models, the Cascio-Ramos Estimate of Performance in Dollars (CREPID) model and Godkewitsch financial utility analysis model and to determine their appropriateness as tools for evaluating training. This study was conducted in conjunction with Philadelphia Electric Company's Nuclear Training Group. Job performance of nuclear maintenance workers was assessed to document the impact of the training program. Assessment of job performance covered six job performance themes. Additionally, front-line nuclear maintenance supervisors were interviewed to determine their perceptions of the nuclear maintenance training. A comparison of supervisor's perceptions and outcomes of the utility analysis models was made to determine the appropriateness of utility analysis as quantitative tools for evaluating the ...

Science.gov (United States)

No Abstract Available

International Nuclear Information System (INIS)

Published in summary form only.

KoreaScience (Korea)

Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This report forms part of an independent review of the specifications, execution and results of Task 6 of the Aespoe Task Force on Modelling of Groundwater Flow and Transport of Solutes, which is seeking to provide a bridge between site characterization (SC) and performance assessment (PA) approaches to solute transport in fractured rock. The present report is concerned solely with Task 6C, which relates to the construction and parametrisation of a block-scale hydrostructural model of the TRUE Block Scale region of the Aespoe Hard Rock laboratory. The task objectives, specifications and outcome are summarised and reviewed. Also, consideration is given to how the hydrostructural model might affect the outcomes of Task 6D and 6E. The main conclusions of this review are summarised below: The Task 6C hydrostructural model is a more comprehensive approach to quantitatively describing a ...

Energy Technology Data Exchange (ETDEWEB)

In order to investigate nonlinear gravitational galaxy clustering, three different quantitative analyses were carried out: two-point correlation functions, {xi}(r); fractal dimensions, D{sub q}; and f(N) statistics. The relation between the exponent {gamma} of the correlation function ({xi}(r) {proportional to} r{sup -{gamma}}) and the fractal dimensions, D{sub q}, was derived with the help of the probability distribution function, f(N), for finding N galaxies within a volume V. The methods were applied to analyze the results of N-body simulations with power law initial density fluctuations ( {delta}{sub k} {sup 2} {proportional to} k{sup n}, n = 1, 0, -1 and -2). These analyses show that the exponent, {gamma}, of the power law {xi}(r) is approximately 2 in the nonlinear regime for models with n = 1 and 0. For models with n = -1 and -2, the correlation functions comprise two parts of the intermediate and small scales in the ...

British Library Electronic Table of Contents (United Kingdom)

We performed hybrid-DFT calculations for La2/3?xLi3xTiO3 (LLT) with lithium ion conductivity, in order to investigate the detailed lithium ion conductive mechanism from the viewpoint of molecular orbital (MO) method. It was concluded that the very ionic lithium ion in bottleneck accelerates the lithium ion conduction. The calculated MO shows no chemical bonding between lithium ion and other ions. In comparison with the perovskite-type trivalent titanium oxide of LaTiO3, the effect of the titanium's reduction was also investigated. We showed the possibility of the high lithium conductivity in LaTiO3.

CERN Document Server

We report a new tetragonal ground-state for perovskite-structured PbCrO3 from DFT+U calculations, and explain its anomalously large volume. The new structure is stabilized due to orbital ordering of Cr-d in the presence of a large tetragonal crystal field, mainly due to off-centering of the Pb atom. At higher pressures (smaller volumes) there is a first-order transition to a cubic phase where the Cr-d orbitals are orbitally liquid. This phase-transition is accompanied by a ~11.5% volume collapse, one of the largest known for transition-metal oxides. The large ferroelasticity and its strong coupling to the orbital degrees of freedom could be exploited to form potentially useful magnetostrictive materials

CERN Document Server

The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the dependence of the nuclear quadruple interactions to the magnetic structure in USb2 compound. The investigation were performed applying the so called band correlated LDA+U theory self consistently. The self consistent LDA+U calculations were gradually added to the performed generalized gradient approximation (GGA) including scalar relativistic spin orbit interactions in a second variation scheme. The result, which is in agreement with experiment, shows that the 5f-electrons have the tendency to be hybridized with the conduction electrons in the ferromagnetic uranium planes.

Energy Technology Data Exchange (ETDEWEB)

The portion of the potential energy surface (PES) of acetylacetone relevant for the intramolecular proton transfer reaction is studied using ab initio and DFT methods. The best estimate of the barrier governing proton transfer was found to be 3.4 kcal mol{sup -1} at the MP4(FC)/6-311 + G(2d,2p)//MP2(FC)/6-311 + G(2d,2p) level of theory. Six stationary points on the PES were characterized as well as the reaction paths connecting these points. Special attention paid to the pathway of intramolecular proton transfer reveals that the internal rotation of the methyl group adjacent to the carbonyl group and the proton transfer reaction are consecutive processes.

British Library Electronic Table of Contents (United Kingdom)

Effect of Abdominal Active Can on DFTs. Introduction: Many patients with implantable cardioverter defibrillators (ICDs) have older lead systems, which are usually not replaced at the time of pulse generator replacement unless a malfunction is noted. Therefore, optimization of defibrillation with these lead systems is clinically important. The objective of this prospective study was to determine if an active abdominal pulse generator (Can) affects chronic defibrillation thresholds (DFTs) with a dual-coil, transvenous ICD lead system. Methods and Results: The study population consisted of 39 patients who presented for routine abdominal pulse generator replacement. Each patient underwent two assessments of DFT using a step-down protocol, with the order of testing randomized. The distal right ...

International Nuclear Information System (INIS)

A predictive reactivity of Cp_2An(IV)Me_2 (with An = uranium [U], neptunium [Np] and plutonium [Pu]) with pyridine N-oxide has been studied at the theoretical level. The predictive reaction, which consists in the formation of a formaldehyde complex, begins after the initial formation of a cyclo-metalated complex produced by a C-H activation of the pyridine N-oxide. A difference of reactivity between U/Pu and Np has been observed and has been attributed to the presence of a more covalent bond between Np and the carbene group in the transition state of formation of a transient carbene intermediate. (authors)

International Nuclear Information System (INIS)

Recently developed oxygen O18 method [K. Franzreb, J. Lorincik, P. Williams, Surf. Sci. 573 (2004) 291; R.C. Sobers, K. Franzreb, P. Williams, Appl. Surf. Sci. 231-232 (2004) 729; P. Williams, R.C. Sobers Jr., K. Franzreb, J. Lorincik, Appl. Surf. Sci. 252 (2006) 6429] is able to quantitatively determine the flux ratio of oxygen to matrix species at dynamical SIMS sputtering. This flux ratio can be directly related to the surface oxygen concentration at dynamical sputtering - an important parameter controlling the ionization yield of emitted species. It is argued that the oxygen O18 method is a worthy step forward in gathering relevant experimental data that might eventually lead to the understanding of oxygen enhancement mechanism in SIMS. A current status of understanding of the ionization processes in SIMS is briefly discussed in terms of non-adiabatic strongly velocity dependent processes represented by the electron tunneling and bond-breaking ...

Energy Technology Data Exchange (ETDEWEB)

This paper is a result of a research with the primary purpose of extending Probabilistic Risk Assessment (PRA) modeling frameworks to include the effects of organizational factors as the deeper, more fundamental causes of accidents and incidents. There have been significant improvements in the sophistication of quantitative methods of safety and risk assessment, but the progress on techniques most suitable for organizational safety risk frameworks has been limited. The focus of this paper is on the choice of 'representational schemes' and 'techniques.' A methodology for selecting appropriate candidate techniques and their integration in the form of a 'hybrid' approach is proposed. Then an example is given through an integration of System Dynamics (SD), Bayesian Belief Network (BBN), Event Sequence Diagram (ESD), and Fault Tree (FT) in order to demonstrate the feasibility and value of hybrid ...

International Nuclear Information System (INIS)

Results from a heavily fouled 19 tube C-E model boiler test to investigate the potential for egg crate corrosion in aggressively fouled AVT chemistry are reported. Substantial support plate and egg crate corrosion was produced in this test. Carbon steel drilled support plates exhibited extensive denting which resulted in flow hole ligament cracking. Corrosion of the carbon steel egg crate, through-wall at areas of tube contact, resulted in denting of the Alloy 600 heat transfer tubes. Corrosion performance of the 409 stainless steel egg crate was improved compared to the carbon steel egg crate although localized through-wall corrosion was noted. The results from the above test and previously reported tests were compared based on the following simplifying assumptions: maximum dent size and/or corrosion penetrations utilized, average bulk water chloride concentrations, pilling bedworth ratios, pot and model boilers data are equivalent, heat flux ...

Science.gov (United States)

As part of the Wisconsin road weather safety initiative, the objective of this study is to assess the effects of rainfall on the severity of single-vehicle crashes on Wisconsin interstate highways utilizing polychotomous response models. Weather-related factors considered in this study include estimated rainfall intensity for 15 min prior to a crash occurrence, water film depth, temperature, wind speed/direction, stopping sight distance and deficiency of car-following distance at the crash moment. For locations with unknown weather information, data were interpolated using the inverse squared distance method. Non-weather factors such as road geometrics, traffic conditions, collision types, vehicle types, and driver and temporal attributes were also considered. Two types of polychotomous response models were compared: ordinal logistic and sequential logistic regressions. The sequential logistic regression was tested with forward and backward ...

Energy Technology Data Exchange (ETDEWEB)

The adsorption of glycolate anions at sputtered gold thin-film electrodes was studied in perchloric acid solutions by cyclic voltammetry experiments combined with in situ Surface Enhanced Raman Scattering (SERS) and Surface Enhanced Infrared Reflection Absorption Spectroscopy under attenuated total reflection conditions (ATR-SEIRAS). Theoretical harmonic vibrational frequencies and band intensities obtained from B3LYP/LANL2DZ,6-31+G(d) calculations for glycolate species adsorbed on Au clusters with (1 1 1) orientation were used to interpret the experimental spectra. Vibrational data confirm the bidentate bonding of glycolate anions through the oxygen atoms of the carboxylate group, in a bridge configuration with the OCO plane perpendicular to the metal surface. The DFT calculations show no significant effect of the total charge of the metal cluster-adsorbate adduct on the vibrational frequencies of adsorbed glycolate species. The infrared experimental study is ...

International Nuclear Information System (INIS)

Transient Enhanced Diffusion (TED) of dopants in Si is the consequence of the evolution, upon annealing, of a large supersaturation of Si self-interstitial atoms left after ion bombardment. In the case of amorphizing implants, this supersaturation is located just beneath the c/a interface and evolves through the nucleation and growth of End-Of-Range (EOR) defects. For this reason, the authors discuss here the relation between TED and EOR defects. Modelling of the behavior of these defects upon annealing allows one to understand why and how they affect dopant diffusion. This is possible through the development of the Ostwald ripening theory applied to extrinsic dislocation loops. This theory is shown to be readily able to quantitatively describe the evolution of the defect population (density, size) upon annealing and gives access to the variations of the mean supersaturation of Si self-interstitial atoms between the loops and responsible for ...

UK PubMed Central (United Kingdom)

Emphasis was put on the comparative quantitative structure-activity approaches to the exploration of action mechanisms of structurally different classes of compounds showing the same type of activity...Full Text Available

UK PubMed Central (United Kingdom)

We have exploited ``progeny testing'' to map quantitative trait loci (QTL) underlying the genetic variation of milk production in a selected dairy cattle population. A total of 1,518 sires, with progeny...Full Text Available

UK PubMed Central (United Kingdom)

The Electronic REference To access In vivo Concentrations (ERETIC) method was applied to ¹H HR-MAS spectroscopy. The accuracy, precision, and stability of ERETIC as a quantitative...Full Text Available

International Nuclear Information System (INIS)

French 1979. p. 4.35-4.48. France Granier, R. Bittoun, J. Doury, P. Pattin,

Energy Technology Data Exchange (ETDEWEB)

Published in summary form only.

International Nuclear Information System (INIS)

The quantitative imaging of a phase object using 16 keV x-rays is reported. The theoretical basis of the techniques is presented along with its implementation using a synchrotron x-ray source. It is found that the phase image is in quantitative agreement with independent measurements of the object. 13 refs., 5 figs.

Energy Technology Data Exchange (ETDEWEB)

Detailed quantitative sequence stratigraphic analysis and three-dimensional (3-D) modeling of the fluvio-deltaic Pikeville, Hyden, and four Corners formations of the Breathitt Group, eastern Kentucky, indicate that it is possible to make confident deterministic correlations of sand bodies at offshore development well spacings. The key to high-confidence correlation is the delineation of the 3-D architecture of third-order composite sequences, which are seismically mappable, and the recognition of internal fourth-order sequences, which are stacked into lowstand, transgressive, and highstand sequence sets. Volumetric partitioning of reservoir sand bodies between systems tracts and sequences allows prediction of channel sandstone geometries and channel: crevasse splay ratios. Furthermore, channel-fill type is predictable from the sequence stratigraphy. Within 13 studied fourth-order sequences, incised valley fills represent the main reservoirs, ...

International Nuclear Information System (INIS)

By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al_0_._5Ga_0_._5As and In_0_._5_3Ga_0_._4_7As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, E(#GAMMA#_1_c) of AlP, E(L_1_c) of AlAs, and E(L_1_c) of AlSb are discussed and attributed to various experimental uncertainties. Several other quasiparticle-excitation-related properties are also examined in this work. The many-body corrections to the eigenvalues of ...

International Nuclear Information System (INIS)

We review the current status of Andreev reflection spectroscopy on the heavy fermions, mostly focusing on the case of CeCoIn5, a heavy-fermion superconductor with a critical temperature of 2.3 K. This is a well-established technique to investigate superconducting order parameters via measurements of the differential conductance from nanoscale metallic junctions. Andreev reflection is clearly observed in CeCoIn5 as in other heavy-fermion superconductors. Considering the large mismatch in Fermi velocities, this observation seemingly appears to disagree with the Blonder-Tinkham-Klapwijk (BTK) theory. The measured Andreev signal is highly reduced to the order of maximum ?13% compared to the theoretically predicted value (100%). The background conductance exhibits a systematic evolution in its asymmetry over a wide temperature range from above the heavy-fermion coherence temperature down to well below the superconducting transition temperature. Analysis of the conductance spectra using the ...

Energy Technology Data Exchange (ETDEWEB)

The influence of high temperature thermal ageing treatments on the development of intercrystalline creep damage in two variants of Alloy 800 has been investigated. Ageing up to 3000 h and creep testing were carried out at 800 and 900 C. The high temperature behaviour of the 800HT variant is discussed with reference to the effect of heat treatments on the microstructure. The metallographic methods by which the creep damage was quantitatively determined are described. The growth rate of intercrystalline microcracks was described using a statistical model and the dependence of crack growth rate on the thermal history for both 800HT and 800H was determined. The carbide precipitation and growth processes were determined as functions of the exposure temperature and duration. The results showed the three characteristic stages, precipitation, growth and coarsening (Ostwald ripening). The largest increase in the intergranular creep damage was found in ...

Energy Technology Data Exchange (ETDEWEB)

Human beings are confronted with another grievous disaster - coal fire. The monitoring on underground coal bed combustion relied on drilling supervising in the past, but this method is not good. By taking the coal fire of Gulaben mine in Inner Mongolia Autonomous Region as an example, the monitoring methods of underground coal bed combustion were explored based on the hyperspectra and high-resolution remote sensing technology. By employing the OMIS imaging apparatus developed by Shanghai Institute of Technical Physics of Chinese Academy of Sciences, the airborne hyperspectral images and the characteristic spectra of different types were obtained and the temperature was measured synchronously on the ground. Then according to the correlation of DN value of the thermal infrared band and surface temperature, the image information was processed, the spectral features were analyzed, and the surface temperature retrieval model was built. Finally, by hyperspectral imagery ...

Science.gov (United States)

Skin sensitization is the most commonly reported occupational illness, causing much suffering to a wide range of people. Identification and labeling of environmental allergens is urgently required to protect people from skin sensitization. The guinea pig maximization test (GPMT) and murine local lymph node assay (LLNA) are the two most important in vivo models for identification of skin sensitizers. In order to reduce the number of animal tests, quantitative structure-activity relationships (QSARs) are strongly encouraged in the assessment of skin sensitization of chemicals. This paper has investigated the skin sensitization potential of 162 compounds with LLNA results and 92 compounds with GPMT results using a support vector machine. A particle swarm optimization algorithm was implemented for feature selection from a large number of molecular descriptors calculated by Dragon. For the LLNA data set, the classification accuracies are 95.37% and ...

International Nuclear Information System (INIS)

Excitation functions (EFs) for the reaction "1"4"1Pr(#alpha#, n)"1"4"4Pm and "1"4"1Pr(#alpha#, 2n)"1"4"3Pm have been measured using "1"4"1Pr as a target up to 50 MeV #alpha#-particle energy. Stacked foil activation technique and #gamma#-ray spectroscopy using 100 cm"3 Ge (Li) detector, has been used. Excitation functions are also calculated theoretically using Blann's geometry dependent hybrid (GDH) model code ALICE-91, with and without inclusion of pre-equilibrium particle emission. It has been observed that high-energy tails of the EFs are dominated by pre-equilibrium reaction mechanism. With the accepted set of input parameter, initial exciton number n_0=4 (2p + 2n + 0h), a good qualitative agreement is found. However, quantitative agreement for this magic nucleus"1"4"1Pr is also good when theoretical calculations are normalized by a multiple factor of 0.5. (author)

DEFF Research Database (Denmark)

It is possible to slow down the progression of Alzheimer's disease with pharmacological treatment. When this treatment is given to people with types of dementia that affect the frontal and temporal lobes (Frontotemporal Dementia) the results are discouraging. It is observed that the patients show pronounced restlessness and mania. In this article we describe a nonpharmacological psychosocial approach, music therapy, and how it is possible to work with this method when constitutional, regulative, dialogical, and integrative aspects are included. The focus is on therapeutic singing where well-known songs are applied in order to build up structure and stability and/or as means of arousal regulation. Songs with personal meaning make it possible to acknowledge the person's emotions, breaking the social isolation, and meeting the music therapy participant's psychosocial needs. The clinical approach is an integration of a relational music therapy approach and a more physiologically based ...

International Nuclear Information System (INIS)

We investigated the isotropic diffusion coefficient (D') and fractional anisotropy (FA) in white matter (WM) during brain development, using an optimised diffusion-tensor imaging (DTI) method with whole brain coverage in a clinically acceptable time. We images 52 children with no evident neurological abnormality (30 boys, 22 girls aged 1 day-16 years) using high-angle DTI with optimised temporal gradient performance. D' and FA were calculated in 10 regions of interest in white matter. We saw that the age-related reduction in D' and increase in FA follow a mono- or biexponential model in white matter, probably depending on the compactness and myelination rate of the fibre tracts. In contrast to other areas, in which adult values were reached during the third year, there is a trend to continuous increase in FA in all deep white-matter areas, suggesting continuing maturation and organisation of deep tracts not detected on conventional MRI. (orig.)

Science.gov (United States)

Target vessel materials used in spallation neutron source will be exposed to proton and neutron irradiation and mercury immersion environments. In order to evaluate the surface degradation of the vessel candidate materials due to such environment, the triple-ion beam irradiation taking the spallation reaction into account and mercury immersion tests were carried out. Mechanical properties of the gradient surface layer were evaluated by the inverse analysis with multi-layer model that considers distribution of surface characteristic was applied to the load and depth curves measured by using the instrumented indentation machine. Transmission electron microscopic observations were performed to evaluate the changes of microstructure in irradiated surface layer using focused ion-beam cut micro-specimen. The mechanical properties distributions in the surface layer were evaluated quantitatively and the changes in microstructures were correspondent to ...

International Nuclear Information System (INIS)

We report a detailed augmented-plane-wave energy-band study and wave-function analysis of stoichiometric PdH which shows that, even though the Fermi surface of PdH is qualitatively similar to that of silver, the simple ''proton model'' is not valid. Instead, the screening of the proton in PdH is found to be larger than in an isolated H atom due, in part, to the formation of a H-Pd bonding band below the bottom of the d-band complex. This result, which is in qualitative agreement with Switendick's earlier calculation, is confirmed by ultraviolet photoemission experiments. A partial density-of-states (DOS) analysis in the energy range spanned by the six valence and conduction bands reveals the quantitative details of the bonding mechanism between the Pd and H constituents. At the Fermi energy, the high Pd d to H s DOS ratio approx. 10.3 is found to be far higher than expected in silver, despite the fact that the Fermi-surface geometry is similar. ...

International Nuclear Information System (INIS)

The Compton backscatter technique has been applied to lap-joint in aircraft structure in order to determine mass loss due to exfoliative corrosion of the aluminum alloy sheet skin. The mass loss of each layer has been estimated from Compton backscatter A-scan including the aluminum sheet, the corrosion layer, and the sealant. A Compton backscattering imaging system has been also developed to obtain a cross-sectional profile of corroded lap-splices of aging aircraft using a specially designed slit-type camera. The camera is to focus on a small scattering volume inside the material from which the backscattered photons are collected by a collimated scintillator detector for interpretation of material characteristics. The cross section of the layered structure is scanned by moving the scattering volume through the thickness direction of the specimen. The theoretical model of the Compton scattering based on Boltzmann transport theory is presented for ...

International Nuclear Information System (INIS)

A quantitative transmission electron microscopy (TEM) study on the depth profile of extended defects, formed after Si implantation, has been carried out. Two different Si"+ implant conditions have been considered. TEM analysis for the highest energy/dose shows that #left brace#1 1 3#right brace# defects evolve into dislocation loops whilst the defect depth distribution remains unchanged as a function of annealing time. For the lowest energy/dose, #left brace#1 1 3#right brace# defects grow and dissolve while the defect band shrinks preferentially on the surface side. At the same time, extraction of boron transient enhanced diffusion (TED) as a function of depth shows a decrease of the supersaturation towards the surface, starting at the location of the defect band. The study clearly shows that in these systems the silicon surface is the principal sink for interstitials. The results provide a critical test of the ability of physical models to ...

International Nuclear Information System (INIS)

Mammography has emerged as a reliable non-invasive technique for the early detection of breast cancer--the second leading cause of cancer-related mortality among American women. The radiographic appearance of the female breast consists of radiolucent (dark) regions due to fat and radiodense (light) regions due to connective and epithelial tissue. The amount of radiodense tissue can be used as a marker for predicting breast cancer risk. This paper presents the development of an algorithm for estimating the percentage of radiodense tissue in a digitized mammogram. The technique involves determining a dynamic threshold for segmenting radiodense indications in mammograms. Both the mammographic image and the threshold are modeled as Gaussian random variables. This work is intended to support a concurrent study at the Fox Chase Cancer Center (FCCC) exploring the association between dietary patterns and breast cancer risk. Mammograms have been obtained from an existing ...

Energy Technology Data Exchange (ETDEWEB)

The automotive paints could be generally differentiated by color, layer sequence and chemistry of the paint layers comprising each of the topcoat and the primer system. The successful identification of hit-and-run a and traffic accidental vehicles from evidential paint fragments is greatly facilitated with a comprehensive laboratory collection of reference paint samples and the technique for direct analysis without sample preparation. The Pyrolysis-Gas Chromatography(PGC) is a precise and reliable method for performing both quantitative and qualitative analysis of polymeric materials and forensic samples. Our Forensic Laboratory is conducting the examination and identification of 73 reference paint samples; 4 colors of each domestic automotive make that is poplar in Korea, by Curie Point Pyrolyzer(JHP-3) and GC with capillary column(ultra alloy-5). This method can be used not only to compare paint traces with their suspected sources, but also to identify the type, ...

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A risk-based sensor placement methodology is proposed to solve the problem of optimal location of sensors or detectors to protect population against the exposure to and effects of known and/or postulated chemical, biological, and/or radiological threats. Risk is calculated as a quantitative value representing population at risk from exposure against standard exposure levels. Historical meteorological data are used to characterize weather conditions as the frequency of wind speed and direction pairs. The meteorological data drive atmospheric transport and dispersion modeling of the threats, the results of which are used to calculate risk values. Sensor locations are determined via an iterative dynamic programming algorithm whereby threats captured or detected by sensors placed in prior stages are removed from consideration in subsequent stages. In addition to the risk-based placement algorithm, the proposed methodology provides a quantification ...

International Nuclear Information System (INIS)

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk oxides, the structure and properties of oxide ...

Energy Technology Data Exchange (ETDEWEB)

The resident bald eagles of the lower Columbia River have lower productivity and higher contaminant levels than other bald eagles of the Pacific Northwest. The primary population stressors are believed to be habitat loss, human disturbance, p,p{prime}DDE, PCBs, dioxins and furans. The primary effect of habitat loss is to reduce the carrying capacity of the region for nesting sites, and the primary effects of human disturbance and contamination by organic compounds are to reduce productivity. The purpose of this study was to quantitatively evaluate the effects of all of, these potential stressors on the bald eagle population dynamics. A model of the population dynamics was developed. The model structure includes a physiologically-based toxicokinetic (PBTK) submodel to estimate the degree of contamination, which is linked via a toxicology submodel to a population dynamics submodel. The PBTK submodel is time-variable, ...

Energy Technology Data Exchange (ETDEWEB)

This paper deals with the heat transfer characteristics of horizontal steam generators, particularly under natural circulation (decay heat removal) conditions on the primary side. Special emphasis is on the inherent features of horizontal steam generator behaviour. A mathematical model of the horizontal steam generator primary side is developed and qualitative results are obtained analytically. A computer code, called HSG, is developed to solve the model numerically, and its predictions are compared with experimental data. The code is employed to obtain for VVER 440 steam generators quantitative results concerning the dependence of primary-to-secondary heat transfer efficiency on the primary side flow rate, temperature and secondary level. It turns out that the depletion of the secondary inventory leads to an inherent limitation of the decay energy removal in VVER steam generators. The limitation arises as a consequence of ...

International Nuclear Information System (INIS)

There are several concerns which bring to consider natural gas as a viable alternative to liquid fuels in transport. First, natural gas allows the curbing of global pollution in this steadily growing industry. Indeed, decoupling greenhouse gas emissions from transport growth has become a major issue in tackling climate change. Second, a more extensive use of natural gas would relieve city air quality, which is presently at levels harmful of human health. Nonetheless, this is just one side of the coin. The other side entails building a refuelling station network, and this carries financial requirements. The financing fraction holds a pivotal role in deciding whether natural gas for automotive purposes is an efficient solution. The final aim of this work is, therefore, to compare the natural gas advantages, stemming from avoided global and local emission, with the economic rationale of engaging in supplementary model network investments. A system dynamics ...

Science.gov (United States)

Cancer is a severe threat to human health. Early detection is considered the best way to increase the chance for survival. While the traditional cancer detection method, biopsy, is invasive, noninvasive optical diagnostic techniques are revolutionizing the way that cancer is diagnosed. Reflectance spectroscopy is one of these optical spectroscopy techniques showing promise as a diagnostic tool for pre-cancer detection. When a neoplasia occurs in tissue, morphologic and biochemical changes happen in the tissue, which in turn results in the change of optical properties and reflectance spectroscopy. Therefore, a pre-cancer can be detected by extracting optical properties from reflectance spectroscopy. This dissertation described the construction of a fiberoptic based reflectance system and the development of a series of modeling studies. This research is aimed at establishing an improved understanding of the optical properties of mucosal tissues by analyzing ...

International Nuclear Information System (INIS)

Indoline dye sensitizers were designed and studied theoretically to increase molar extinction coefficients in the visible to near infrared region for solar-cell devices. To gain insight into dye sensitizers' structural, electronic, and optical properties, DFT/TDDFT calculations were performed on a series of dye sensitizers derived from the D149. The good agreement between the experimental and TDDFT calculated absorption spectra of the D149 sensitizer allowed us to provide a detailed assessment of the main spectral features of a series of dye sensitizers. Increase in the conjugation length resulted in a more red-shifted spectral response and less positive oxidation potential than that of the D149. The dye with the dimethylfluorene group showed stronger absorption bands due to a large dipole moment. The calculated dipoles for the dye series correlate well with the observed strong absorption bands of the electronic spectra. These results provided useful clues for the ...

British Library Electronic Table of Contents (United Kingdom)

Potassium dichlorido(l-prolinato)platinate(II), K[PtCl"2(l-pro"?"H)] (1), and chlorido(dimethyl sulfoxide)(l-prolinato)platinum(II), [PtCl(l-pro"?"H)(dmso)] (2), were synthesized by ligand substitution reactions. Both complexes were characterized by ^1H, ^1^3C, and ^1^9^5Pt NMR spectroscopy, elemental analysis, and HR-ESI-MS. The molecular structures of 1 and 2 were determined by single crystal X-ray diffraction, proving bidentate coordinated l-prolinato ligand and SP-4-4 configuration of 2a. With the help of DFT calculations stability of possible isomers of 1 and 2 was studied. A considerable difference in the in vitro cytotoxicity of 1 versus 2a (exchange of one chlorido ligand by dmso) against four human cancer cell lines was found.

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A series of new non-discoid chiral copper(ii)-salen type complexes, [Cu((4-CnH2n+1O)2salen)], n = 14, 16, 18 and salen = N,N'-cyclohexane bis (salicylideneiminato), containing 4-substituted alkoxy tails in the side aromatic rings and a cyclohexane spacer, have been prepared and their mesogenic properties investigated. The compounds were characterised by Fourier transform infra-red spectroscopy, 1H and 13C nuclear magnetic resonance spectroscopy, UV-vis spectroscopy and fast atom bombardment mass spectrometry. Mesomorphic properties of these compounds were studied by polarising optical microscopy, differential scanning calorimetry and X-ray diffraction (XRD). The ligands are non-mesogenic but the complexes exhibited enantiotropic rectangular columnar mesophases (Colr) with extended temperat...

International Nuclear Information System (INIS)

The local environment of Ca dopants in barium titanate, BaTiO_3, is investigated by Ca K-edge X-ray absorption near-edge structure (XANES) spectroscopy. In conjunction with experiments, first-principles calculations by two methods are systematically made. The projector-augmented wave (PAW) method is used to optimize the local structure and obtain the formation energy. The augmented plane wave plus local orbitals method is adopted to obtain theoretical XANES spectra. A comparison between experimental and theoretical XANES spectra shows that Ca dopants are located at the Ba"2"+ sites forming Ca"2"+. Formation energy calculations of Ca doped BaTiO_3 by the PAW method also give the same results. The Ca atom in BaTiO_3 is off-centering in comparison with the Ba site in BaTiO_3. The off-centering of Ca atom is newly revealed by the combination of XANES spectroscopy and first-principles DFT calculations.

International Nuclear Information System (INIS)

The atomic structures of calcium sialons Ca_xSi_1_2_-_mAl_mN_1_6 (m = 0.5, 1, 2, 4) with the #alpha#- or #beta#-Si_3N_4-type structure were calculated, using the ab initio DFT approach, including relaxations of both lattice parameters and positions of the atoms. For all m values the #alpha#-Si_3N_4-type structure has a lower energy than the #beta#-type. For m = 1, 2 and 4 the #alpha#-type structure is also stable against decomposition into the metal nitrides, in agreement with experimental data. For m = 0.5 stability becomes uncertain. Al ions prefer positions close to Ca. Rather strong structural relaxations occur around the Ca ion.

International Nuclear Information System (INIS)

Hybrid density functionals, which replace a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of #delta#-Pu. The fraction of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrid functionals with HF exchanges amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization of itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the degree of 5f electron localization increasing with the amount of HF exchange. Overall, the performance of the hybrid density functionals does not seem superior to ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Coordination compounds [Ru(acac)2(Q)] (acac=acetylacetonate; Q=o-benzoquinone) were prepared as complexes 1 (Q=o-benzoquinone), 2 (Q=3-methoxy-o-benzoquinone), 3 (Q=4-methyl-o-benzoquinone), and 4 (Q=3,5-di-tert-butyl-o-benzoquinone). The structures of 1 and 2 were determined to reveal a RuIII/o-benzosemiquinone formulation, supported by analysis of experimental data (spectroscopy, magnetism of 1) and by DFT calculations. The S=1 ground state calculated for 1 stands in contrast to the spin-paired analogues with arylimino-o-benzosemiquinonato and diimino-o-benzoquinone ligands. The close contacts of about 5.3- possible between semiquinone O atoms of different molecules in the crystal allow for intermolecular spin-spin interactions and an overall complex magnetic behavior. One quasi...

British Library Electronic Table of Contents (United Kingdom)

A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA=N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP level. This compound (chemical formula C10H20MoO6N2) crystallizes in the orthorhombic space group P212121 with Z=4, a=6.9357(2)?, b=11.8761(4)?, c=17.7251(5), V=1460.00(8)?3 and renders a slightly distorted octahedral structure with two long Mo-O bonds (2.253(3)? and 2.257(3)?) trans to each of the MoO groups and with two short Mo-O bonds of 1.942(3)4? cis to them. The MoO bond length are 1.715(3) and 1.704(3)?). Each lactamide ligand is bidentate; they are coordinated in their deprotonated form with the carbonyl oxygen occupy...

Science.gov (United States)

Swimming endurance of whiteleg shrimp, Litopenaeus vannamei exposed to various temperatures (15, 20, and 25 degrees C) and salinities (15, 32, and 40 per thousand) was determined in a swimming channel against one of five flow velocities (5.41, 6.78, 8.21, 10.11, and 11.47 cm s(-1)) for up to 9000 s. No shrimp swam the full 9000 s throughout the experiment. The swimming endurance decreased as swimming speed was increased at any of the temperatures and salinities tested and was significantly affected by temperature and salinity (Ppower model (nu x t(b) = a) showed a better fit to the relationship between swimming endurance (t, in s) and swimming speed (nu, in cm s(-1)) at any of the temperatures and salinities tested. The swimming ability index (SAI), defined as SAI = integral(0)(9000) vdt x 10(-4) (cm), was found to be temperature- and salinity-dependent in L. vannamei. The optimum temperature and salinity and corresponding maximum SAI were Topt = 21.3 degrees C and ...

International Nuclear Information System (INIS)

We have demonstrated that optical images can be stored in transparent lead-lanthanum-zirconate-titanate (PLZT) ceramics by exposure to near-UV light with photon energies greater than the band gap energy of approx. equal to 3.35 eV. The image storage process relies on optically induced changes in the switching properties of ferroelectric domains (photoferroelectric effect). Stored images are nonvolatile but can be erased by uniform UV illumination and simultaneous application of an electric field. Although high quality images, with contrast variations of >= 100:1 and spatial resolution of approx. equal to 10 #mu#m, can be stored using the photoferroelectric effect, relatively high exposure energies (approx. equal to 100 mJ/cm"2) are required to store these images. This large exposure energy severely limits the range of possible applications of nonvolatile image storage in PLZT ceramics. We have recently found from studies of H, He and Ar implanted PLZT that the photosensitivity can ...

Energy Technology Data Exchange (ETDEWEB)

The relative potencies of 20 polychlorinated biphenyls (PCBs) were studied in a chicken embryo hepatocyte system. The 20 congeners were selected according to a full 2{sup 4}-factorial design based on the principal properties of all 154 tetra- through heptachlorinated PCBs. The principal properties were obtained using principal component analysis (PCA) on a multitude of different physico-chemical properties of the PCBs. Toxic equivalency factors (TEFs) were determined for seven out of the twenty PCB congeners, viz. PCB{number_sign}41, PCB{number_sign}60, PCB{number_sign}78, PCB{number_sign}126, PCB{number_sign}169, PCB{number_sign}190, and PCB{number_sign}193, which elicit measurable catalytic ethoxyresorufin-O-deethylase (EROD) activity in the chicken hepatocytes. A multivariate quantitative structure-activity relationship (QSAR) was developed by using partial least-squares to latent variables (PLS) in order to model the relationship between ...

International Nuclear Information System (INIS)

AFFF has fabricated the (U, Pu)O_2 mixed oxide fuels for PHWRs, BWRs, PFBRs and FBTRs. The quantitative dissolution of the fuel samples are required within time for accurate determination of uranium-plutonium in chemical quality control laboratory. This paper describes the use of microwave heating technique in quantitative dissolution of (U, Pu)O_2 MOX (from 0.4% to 44% PuO_2). (author)

UK PubMed Central (United Kingdom)

A specific application of single photon emission tomography to the relative quantitation of the pituitary region is described together with the results obtained in 19 patients with pituitary adenoma...Full Text Available

UK PubMed Central (United Kingdom)

BACKGROUND: An approach to the study of the pharmacokinetics of drugs in the lung is to measure their concentrations in bronchial biopsy specimens. The main criticism of this technique is that bronchial...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

Abstract: The current financial crisis has now led most major central banks to rely on quantitative easing. The unique Japanese experience of quantitative easing is the only experience which enables us to judge this therapy's effectiveness and the timing of the exit strategy. In this paper, we provide a new empirical framework to examine the effectiveness of Japanese monetary policy during the ''lost'' decade and quantify the effect of quantitative easing on Japan's activity and prices. We combine advantages of Markov-switching VAR methodology with those of factor analysis to establish two major findings. First, we show that the decisive change in regime occurred in two steps: it crept out from late 1995 and established itself durably in February 1999. Second, we show for the first time th...

Science.gov (United States)

... and high-quality photospheric-phase Type II SN spectra to constrain core- collapse SN explosions, massive star evolution, and distances in the Universe ...

International Science & Technology Center (ISTC)

Computer-Aided Prediction of Chemical Ecotoxicity on the basis of Quantitative Structure-Activity Relationships with the Use of Physico-Chemical Descriptors, Including H-bond Parameters

UK PubMed Central (United Kingdom)

AIM: To investigate the effects of gallbladder stones on motor functions of the gallbladder and the dynamics of bile flow in asymptomatic gallstone disease.METHODS: Quantitative hepatobiliary...Full Text Available

Science.gov (United States)

... 15- Two Sigma from Mean S..... I ..... 2 ... only a small number of engine filter debris samples ... comprehensive, but it does point out that ...

UK PubMed Central (United Kingdom)

The concentration of apolipoproteins was measured by quantitative immunoelectrophoresis in rat serum, in the lipoprotein-free ultracentrifugal fraction (density greater than 1.21) of serum, and in renal...Full Text Available

UK PubMed Central (United Kingdom)

We characterized the absorption and short-term translocation of cadmium (Cd) in rice (Oryza sativa ‘Nipponbare’) quantitatively using serial images observed with a positron-emitting...Full Text Available

UK PubMed Central (United Kingdom)

Gas chromatography-selected ion monitoring-mass spectral analysis using [¹³C₆]indole-3-acetic acid (IAA) as an internal standard provides an effective means for quantitation of...Full Text Available

CERN Document Server

A quantitative description is presented of the non-linear current-voltage response in superconducting niobium cavities for accelerator application. It is based on a fit for a large sample of data from cavity tests of different kind. Trial functions for the surface resistance describing this non-linear relation are established by a least square data fit. Those trial functions yielding the best fit are quantitatively explained by basic physics.

International Nuclear Information System (INIS)

Studies have been performed with an anti-osteogenic sarcoma monoclonal antibody 791T/36 and human tumour xenografts to examine some of the quantitative and kinetic aspects of tumour localization. The influence of variations in tumour size and site and antibody dose on the extent and rate of specific antibody localization have been examined, together with the site of intratumoural deposition of the antibody. (UK).

International Nuclear Information System (INIS)

The need for noninvasive sensitive techniques for the diagnosis and follow-up of metabolic bone disease in dialysis patients has stimulated the author's interest in the efficacy of more detailed quantitative bone scintigraphy. Using hemodialysis to reduce elevated soft-tissue activity at scintigraphy, an attempt was made to assess the diagnostic sensitivity of quantitative bone scintigraphy as compared to qualitative bone scintigraphic, biochemical, radiographic and bone histologic studies. The second aim of these studies was to determine if one of the two major components of renal osteodystrophy is a major determinant for skeletal radiotracer uptake. The clinical observations on the efficacy and possible specificity of quantitative bone scintigraphy in the diagnosis and follow-up during treatment of renal osteodystrophy are presented briefly in this chapter. Thus, the use of scintigraphy for the routine detection and ...

Science.gov (United States)

In neurodegenerative conditions such as Alzheimer's and prion disease it has been shown that host genetic background can have a significant effect on susceptibility. Indeed, human genome-wide association studies (GWAS) have implicated several candidate genes. Understanding such genetic susceptibility is relevant to risks of developing variant CJD (vCJD) in populations exposed to bovine spongiform encephalopathy (BSE) and understanding mechanisms of neurodegeneration. In mice, aspects of prion disease susceptibility can be modelled by examining the incubation period following experimental inoculation. Quantitative trait linkage studies have already identified multiple candidate genes; however, it is also possible to take an individual candidate gene approach. Rarb and Stmn2 were selected as candidates based on the known association with vCJD. Because of the increasing overlap described between prion and Alzheimer's diseases we also chose Clu, ...

Energy Technology Data Exchange (ETDEWEB)

Part I of this thesis is on long-term iceberg collision-risk assessment methods for fixed offshore structures. Estimates for the long-term probability that an iceberg will hit a fixed offshore structure are based on estimates of the total volume of produced iceberg, a model for the size distribution of icebergs and a description of how iceberg trajectories ``fill`` the plane (the ocean`s surface). Part II of the thesis discusses methods for analysis of low resolution data in the sense that the size of the area covered by each pixel is not small compared to the dominating floes. Still, this type of data can provide estimates of the ice extent (and hence the ice edge) and ice concentration. The estimates of the ice edge (at least) seem to be physically significant in the sense that ``in some way`` they can reflect ice drift in an image time sequence. A priori this is far from obvious. A central idea is that the ``ice edge`` is close to a transition zone between two ...

Energy Technology Data Exchange (ETDEWEB)

As part of the studies on coal utilization basics, considerations were given on quantification of sulfur forms of coal and the pyrolysis behavior of sulfur compounds. With the temperature raising oxidation method, a thermo-balance was connected directly to a mass analyzer, and the coal temperature was raised at a rate of 5{degree}C per minute and gasified. Peak division was performed on SO2 and COS production to derive sulfur forms of coal. Using the slow-speed pyrolysis method, production rates of H2S, COS, SO2 and mercaptans were measured at a temperature raising rate of 20{degree}C per minute. Sulfur content in char was also measured. With the quick pyrolysis method, a Curie point pyrolyzer was connected directly to a gas chromatograph, by which secondary reaction is suppressed, and initial pyrolytic behavior can be tracked. All kinds of coals produce a considerable amount of SO2 in the slow-speed pyrolysis, but very little in the quick pyrolysis. Instead, H2S and mercaptans are ...

Energy Technology Data Exchange (ETDEWEB)

Cylindrical shells with regular perforation are widely used in power generating equipment and in particular in collectors 1 of the circuit of steam generators of power generating installations with water-water reactors (WWPR) The state of stress of collectors is determined by a broad spectrum of technological and operational loads, it is therefore difficult to analyze it theoretically. The aim of the present work is the experimental investigation of stresses in the cylindrical shells of collectors subjected to internal pressure, the generalization and systematization of empirical data in the form of engineering formulas and nomographs. The investigations were carried out with photoelastic three-dimensional models with the use of {open_quotes}freezing{close_quotes}. The basic characteristics of the state of stress of perforated shells (in particular those used in calculations of the strength and life of collectors) are the values of the stress intensity factor K and ...

International Nuclear Information System (INIS)

In the first part of this paper, IrO_2 electrodes produced by thermal decomposition of H_2IrCl_6 precursor were manufactured using the spin coating deposition technique, where centrifugal forces spread the precursor solution with simultaneous evaporation of the solvent on the rotating Ti substrate. It was found using this technique, that it is possible to obtain thin and uniform IrO_2 coatings with controlled loadings. The influence of the concentration of iridium salt in the precursor solution (c_0) as well as the influence of the rotation speed at which the substrate spins (#omega#) on the IrO_2 loading have been studied using voltammetric charge measurements. From these results, a simple relation has been proposed for the estimation of the IrO_2 loading for a given c_0 and #omega#. In the second part of this paper and from measurements performed using different IrO_2 loadings and formic acid concentrations, the kinetic parameters of the oxidation of formic acid have been ...

Energy Technology Data Exchange (ETDEWEB)

The liquid-liquid extraction behavior of short-lived molybdenum and tungsten isotopes from HCl and HNO{sub 3} as well as HF/HNO{sub 3} acid media was studied using the {alpha}-benzoinoxime/chloroform system. The goal of the present experiments was to find an extraction system with a high selectivity for the group 6 elements in the periodic table which is suitable for the study the solution chemistry of seaborgium (Z = 106). It was found that Mo and W are both effectively extracted using {alpha}-benzoinoxime as an extractant and the maximum extraction yield is 100% and 94% for Mo and W, respectively. Ions of MO{sub 2}{sup 2+} (M = Mo, W) exist in HCl between the concentration range of 0.1-3 M and can be extracted quantitatively into the organic phase. The decrease of extraction yields at lower or higher acid concentration is due to the formation of anionic species MO{sub 4}{sup 2-} or MO{sub 2}Cl{sub 3}{sup -}. The extraction behavior of Mo and W in HNO{sub 3} ...

International Nuclear Information System (INIS)

Quantitative ecological risk assessment (ERA) is a means whereby the risk posed by a toxicant in any system can be evaluated by comparing the distribution of its measured or modelled concentrations (water quality data (WQD)) with available information on the range of concentrations that are known to adversely affect biota within that, or similar, habitats (dose-response data (DRD)). Initially, the WQD are compared with regulatory criteria (e.g. ANZECC and ARMCANZ, 2000). If they fail this test, then, on the assumption that both data sets comprise subsets of the entire range of concentrations, probability density functions are derived assuming a standard distribution form a typically log-normal. In this paper, AQUARISK has been used to estimate the risk posed by copper in effluent from the Rum Jungle mine site, pre- and post-remediation, and the proportion of taxa likely to be affected in the East Branch (EB) of the Finniss River downstream of ...

Science.gov (United States)

The petroleum industry is increasing its focus on the exploration of reservoirs in turbidite systems. However, these sedimentary environments are often characterized by very complex sand distributions. Hence, reservoir description based on conventional seismic and well-log interpretation may be very uncertain. There is a need to employ more quantitative seismic techniques to reveal reservoirs units in these complex systems from seismic amplitude data. In this study we focus on North Sea turbidite systems. Our goal is to improve the ability to use 3D seismic data to map reservoirs in these systems. A cross-disciplinary methodology for seismic reservoir characterization is presented that combines rock physics, sedimentology, and statistical techniques. We apply this methodology to two turbidite systems of Paleocene age located in the South Viking Graben of the North Sea. First, we investigate the relationship between sedimentary petrography and rock physics ...

Science.gov (United States)

There are five tasks within this project on thermally stable coal-based jet fuels. Progress on each of the tasks is described. Task 1, Investigation of the quantitative degradation chemistry of fuels, has 5 subtasks which are described: Literature review on thermal stability of jet fuels; Pyrolytic and catalytic reactions of potential endothermic fuels: cis- and trans-decalin; Use of site specific {sup 13}C-labeling to examine the thermal stressing of 1-phenylhexane: A case study for the determination of reaction kinetics in complex fuel mixtures versus model compound studies; Estimation of critical temperatures of jet fuels; and Surface effects on deposit formation in a flow reactor system. Under Task 2, Investigation of incipient deposition, the subtask reported is Uncertainty analysis on growth and deposition of particles during heating of coal-derived aviation gas turbine fuels; under Task 3, Characterization of solid gums, sediments, and ...

Energy Technology Data Exchange (ETDEWEB)

The transport of radon in concrete takes place through the complicated network of interconnected pores that is, at any time, the result of the process of hydration of cement and of moisture distribution and transport. Initially the microstructure of concrete depends on the mix proportions and curing conditions, its time-evolution being conditioned by its surrounding environment. Radon transport will be consequently a function of time, as it is influenced by the changing microstructure (total porosity and its distribution) and by the amount and distribution of the moisture contained in the pore system. A selection of information from the large amount of literature available on concrete is presented in chapter 2. A model that describes the process of hydration, of microstructure development and of moisture transport is presented in chapter 3. The physics of radon diffusion in homogeneous porous materials is outlined in chapter 4. The coupling of the numerical ...

British Library Electronic Table of Contents (United Kingdom)

This study assesses the current state of undergraduate instruction in empirical research methods in communication and offers recommendations for enhancing such instruction. Responses to an online questionnaire were received from 149 communication-related programs at four-year colleges and universities. Just over 85% of responding programs offered an empirical methods course. Although the course often covered both qualitative and quantitative methods, instruction was heavily slanted toward quantitative methods and topics common to both qualitative and quantitative inquiry. The empirical methods course was usually required for graduation, but it was typically not well integrated with the rest of the curriculum and taken late in students' undergraduate careers. Additional analyses examined st...

British Library Electronic Table of Contents (United Kingdom)

The Pacific white shrimp, Litopenaeus vannamei, is the most important shrimp species in volume in world aquaculture. However, in recent decades, outbreaks of diseases, especially viral diseases, have led to significant economic losses, threatening the sustainability of shrimp farming worldwide. In 2004, Brazilian shrimp farming was seriously affected by a new disease caused by the Infectious myonecrosis virus (IMNV). Thus, disease control based on rapid and sensitive pathogen detection methods has become a priority. In this study, a specific quantitation method for IMNV was developed using real-time PCR with SYBR Green chemistry and viral load of the principal target tissues of chronically infected animals was quantified. The quantitative analysis revealed that mean viral load ranged from ...

Energy Technology Data Exchange (ETDEWEB)

To more accurately measure fluorescent signals from microarrays, we calibrated our acquisition and analysis systems by using groundtruth samples comprised of known quantities of red and green gene-specific DNA probes hybridized to cDNA targets. We imaged the slides with a full-field, white light CCD imager and analyzed them with our custom analysis software. Here we compare, for multiple genes, results obtained with and without preprocessing (alignment, color crosstalk compensation, dark field subtraction, and integration time). We also evaluate the accuracy of various image processing and analysis techniques (background subtraction, segmentation, quantitation and normalization). This methodology calibrates and validates our system for accurate quantitative measurement of microarrays. Specifically, we show that preprocessing the images produces results significantly closer to the known ground-truth for these samples.

Science.gov (United States)

A clinical laboratory evaluation was conducted on the Clinitek Auto 2000, the Super Aution Analyzer and the Urotron RL9 for the determination of glucose, protein, pH, blood, ketone-bodies and bilirubin.Precision of the systems was tested using three commercial control urine materials, and reported as the percentage of times the instrument repeats a certain value. Good repeatability was obtained with all the instruments.Accuracy of the systems was evaluated by comparison with quantitative procedures, and to check agreement between methods yielding semi-quantitative and quantitative results, ranges of acceptability were defined, based on the criteria reported in a previous paper [2]. It was then found that 87.5 to 98.9% of results from the Urotron RL9 and the Clinitek Auto 2000 were acceptable. With the Super Aution Analyzer the level of agreement was apparently lower because of the higher number of concentration steps used ...

CERN Document Server

Statistical modelling for social researchers

International Nuclear Information System (INIS)

The utility of recording Raman spectroscopy under liquid nitrogen, a technique we call Raman Under Nitrogen (RUN), is demonstrated for ferrocene, uranocene and thorocene. Using RUN, low temperature (liquid nitrogen cooled) Raman spectra for these compounds exhibit higher resolution than previous studies and new vibrational features are reported. The first Raman spectra of crystalline uranocene at 77 K are reported using excitation from argon (5145 ) and krypton (6764 ) ion lasers. The spectra obtained showed bands corresponding to vibrational transitions at 212, 236, 259, 379, 753, 897, 1500, and 3042 cm-1 , assigned to ring-metal-ring stretching, ring-metal tilting, out-of-plane CCC bending, in-plane CCC bending, ring-breathing, C-H bending, CC stretching and CH stretching, respectively. The assigned vibrational bands are compared to those of uranocene in THF and thorocene. All vibrational frequencies of the ligands, except the 259 cm-1 out-of-plane CCC bending mode, were found to ...

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Density functional theory (DFT) calculations using plane-wave methods were performed for Li2TMPO4F, LiTMPO4F, and TMPO4F (TM=V, Mn, Fe, Co, Ni) to address their feasibility as high-voltage cathode materials for Li ion batteries. We computed their structures, average open circuit voltages, and thermal stabilities for step-wise lithiation/delithation (discharge/charge) reactions. The calculations suggest that associated unit cell volume changes are sufficiently small on average that they should not be a significant detriment to the mechanical stability of the cathode. In the nickel case, the calculated volume change deviates from the series by increasing during the first delithiation step. Furthermore, the volume increases for all these materials during the second delithiation step. It appears that the relative volume expansion in the series during delithiation is directly correlated to the degree of d-p rehybridization. Predicted average open circuit voltages ...

UK PubMed Central (United Kingdom)

In proteomics, one-dimensional (1D) SDS-PAGE is widely used for protein fractionation prior to mass spectrometric analysis to enhance dynamic range of analysis and to improve identification...Full Text Available

UK PubMed Central (United Kingdom)

SummaryIn vivo tumor cell migration through integrin-dependent pathways is key to the metastatic behavior of malignant cells. Using quantitative in vivo...Full Text Available

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In order to maintain a safe operation and availability of generating facilities, qualitative and quantitative assessment of piping vibration was performed vibration sources and damages of piping support was identified on the second piping system of Wolsun...

UK PubMed Central (United Kingdom)

The quantitative experimental uncertainty in the structure of fully hydrated, biologically relevant, fluid (L_α) phase lipid bilayers has been too large to...Full Text Available

International Nuclear Information System (INIS)

French ... Orig. Title Scintigraphie osseuse quantifiee chez l'enfant et l'adolescent - repartition selon l'age des taux de fixation de diverses pieces osseuses normales.

International Nuclear Information System (INIS)

Thirty-four patients with prostatic carcinoma were studied with quantitative bone scintigraphy and whole-body counting (WBC) 1 and 24 h after injection of "9"9"mTc-MDP before as well as two weeks and two months after orchiectomy. Thirteen of the patients had normal bone scintigrams and WBR at the three different investigations; 21 had skeletal metastases. The latter showed throughout the study higher local gamma camera count rates as well as WBR values than the patiens with normal scintigrams. In these patients a ''flare phenomenon'', with an increase in count rate two weeks after orchiectomy followed by a decrease two months post-operatively, was seen with quantitative bone scintigraphy but not with WBC. However, WBC may be a valuable method indicating the total extent of skeletal metastases in the body, while quantitative bone scintigraphy is more accurate in the interpretation of individual skeletal metastases. (orig.).

UK PubMed Central (United Kingdom)

Forty-six patients with end-stage renal failure were subjected to iliac crest biopsy before the initiation of a dialysis programme and regardless of the presence of skeletal symptoms....Full Text Available

UK PubMed Central (United Kingdom)

Binding of epidermal growth factor (EGF) to the EGF receptor (EGFR) initiates signal transduction, ultimately leading to altered gene expression. Ligand-activated EGFR is also rapidly internalized...Full Text Available

UK PubMed Central (United Kingdom)

A quantitative trait locus (QTL) analysis designed for a multi-parent population was carried out and tested in oil palm (Elaeis guineensis Jacq.), which is a diploid cross-fertilising...Full Text Available

UK PubMed Central (United Kingdom)

How transcription factors interpret the cis-regulatory logic encoded within enhancers to mediate quantitative changes in spatiotemporally restricted expression patterns during animal...Full Text Available

Science.gov (United States)

This study investigated weathering effects on polyvinyl chloride (PVC) based wood plastic composites (WPC), with a focus on the color and structure that is attributed to the material composition. It is directed towards quantifying the main chemical modifi...

Energy Technology Data Exchange (ETDEWEB)

Skeletal radiotracer (sup(99m)Tc-HEDP) uptake was quantitated with and without the aid of a computer in 30 chronic dialysis patients with histologic evidence of renal osteodystrophy. Before scintigraphy, elevated soft-tissue activity due to the absence of renal radiotracer excretion was reduced by hemodialysis. The results were compared with those of a normal group and with the results of the biochemical and the bone morphometric studies of these patients. In all patients the radiotracer uptake was elevated, often markedly. In several patients with minimal histologic bone disease, however, soft-tissue activity could not be normalized by hemodialysis although its influence on the quantitative data could be further reduced (but not excluded) by computer evaluation of skeletal radiotracer uptake. Since the latter technique clearly distinguished the majority of the patients from the normals, it appears that computerized ...

International Nuclear Information System (INIS)

Based on a generalized theory of perturbations and on non-linear programming an approach to the quantitative determination of necessary accuracies for nuclear data is described. It is used to calculate transactinide isotope build-up in reactors.

UK PubMed Central (United Kingdom)

BackgroundArtemisinin-based combination therapy, currently considered the therapy of choice for uncomplicated Plasmodium falciparum malaria in endemic countries,...Full Text Available

UK PubMed Central (United Kingdom)

A fluid-phase immunoradiometric assay has been developed which identifies an antigen on the Factor VIII (antihemophilic factor) procoagulant protein. This sensitive and quantitative assay is not influenced...Full Text Available

UK PubMed Central (United Kingdom)

Our increasing capabilities for quantitative hormone analysis and automated high resolution growth studies have allowed a reassessment of the classical Cholodny-Went hypothesis of gravitropism. According...Full Text Available

UK PubMed Central (United Kingdom)

Quantitative probing of heterogeneous regions in muscle is feasible with phosphorus-31 magnetic resonance spectroscopy because of the differentiation of metabolic patterns of glycolytic and oxidative...Full Text Available

UK PubMed Central (United Kingdom)

Studies were conducted to quantitate the evolution of nitrogen oxides (NO_(x)) from soybean [Glycine max (L.) Merr.] leaves during in vivo nitrate reductase...Full Text Available

UK PubMed Central (United Kingdom)

A liquid chromatography/tandem mass spectrometric (LC/MS/MS) assay was developed for the quantitative determination of salirasib (S-trans, trans-farnesylthiosalicylic acid,...Full Text Available

UK PubMed Central (United Kingdom)

Qualitative and quantitative aspects of the mechanisms involved in the regulation of cytoplasmic pH during an acid-load have been studied in Acer pseudoplatanus cells. Two main processes,...Full Text Available

Science.gov (United States)

Quantitative metallography is often used to confirm the proper processing of aerospace metallic materials. A microstructural feature of great importance for titanium alloys processed in the alpha-beta phase field is the volume fraction of primary alpha. S...

UK PubMed Central (United Kingdom)

A bedload trap in the riverbed provided direct quantitative measurement of debris-transport rate in the East Fork River, Wyoming, a basin of 466 km² drainage area. Traction load moves only...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundKinematic and kinetic measurements used in laboratory settings can quantify upper extremity movement impairment following stroke, but their relationship...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

In nuclear fuel with a burn-up of 33 kg/t U and 52 kg/t U 15 transuranium nuclides /sup 237/Np to /sup 246/Cm have been determined by alpha and gamma spectroscopy after radiochemical separation.

UK PubMed Central (United Kingdom)

Arbuscular mycorrhizal fungi (AMF) are obligate biotrophs, known to play an important role in ecological processes. Conventional light microscopy is the most common method used to detect their presence...Full Text Available

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The 52 papers discuss the following subjects: 1. Preparation and structural development; 2. Structural constitution; 3. Structural formation and phase transition; 4. Structure and mechanical properties; 5. Structural formation of metallic and nonmetallic materials; 6. Quantitative metallography, and 7. Quality assurance.

UK PubMed Central (United Kingdom)

BackgroundCerebral malaria (CM) is a neurological syndrome that includes coma and seizures following malaria parasite infection. The pathophysiology is not fully understood and cannot...Full Text Available

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An advanced video system has been assembled from commercially available equipment to support the real-time neutron radiography facility established jointly by the University of Virginia Department of Nuclear Engineering and Engineering Physics, and the Philip Morris Research Center. A schematic diagram of the equipment used for real-time neutron radiography is presented. To obtain quantitative density measurements with this system, several modifications of both hardware and image processing software were required. After implementation of these changes, the system was capable of determining material densities by measuring the degree of neutron attenuation.

International Nuclear Information System (INIS)

A technique for quantitative analysis of growth plates in varus or valgus deformity about the knee has been developed. Computer-generated regions of interest are placed on magnification scintigraphs to divide distal femoral and proximal tibial physes into four equal segments. The ratio of counts in the medial half to counts in the lateral half was studied in 31 children (22 normal, 9 with angular deformity). Normal ratios were 0.74 to 0.98 for femora and 0.98 to 1.20 for tibias. In eight of nine patients with deformity, the ratio was abnormal; in two patients the ratio returned to normal when the deformity ceased to progress.