UK PubMed Central (United Kingdom)

The use of sub-nanometer resolution electron density as spatial constraints for denovo and ab-initio structure prediction requires knowledge of protein boundaries...Full Text Available

UK PubMed Central (United Kingdom)

Abs facilitate humoral immunity via the classical mechanisms of opsonization, complement activation, Ab-dependent cellular cytotoxicity, and toxin/viral neutralization. There is also evidence that some...Full Text Available

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High-level ab initio calculations have been performed on the exo and endo isomers of gas-phase

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In this study acrylonitrile-butadiene-styrene (ABS) terpolymer was reinforced with HNO3-treated short carbon fibers (HCFs). The effects of HCF concentration on the tensile properties of the composites were examined. Increasing the HCF concentration in the ABS matrix from 10 wt% to 30 wt% resulted in improved tensile strength and tensile modulus. To obtain a strong interaction at the interface, polyamide-6 (PA6) at varying concentrations was introduced into the ABS/10 wt% HCF composite. The incorporation and increasing amount of PA6 in the composites increased tensile properties of the ABS/PA6/HCF systems due to the improved adhesion at the interface, which was confirmed by the ratio of tensile strength as an adhesion parameter. These results were also supported by scanning electron microgr...

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This paper presents fundamental researches based on the electronic structure calculations and X absorption spectroscopy, allowing the knowledge on nuclear fuels at an atomic scale. They bring a better understanding of these material behavior to accurate the macroscopic simulation. The calculation methods, the experimental techniques of validation and the ab initio calculations results are detailed. (A.L.B.)

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There is no abstract currently available for this item

UK PubMed Central (United Kingdom)

The use of spatially referenced data in cancer studies is gaining in prominence, fueled by the development and availability of spatial analytic tools and the broadening recognition of the linkages between...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

In ab initio molecular dynamics, whenever information about the potential energy surface is needed for integrating the equations of motion, it is computed 'on the fly' using electronic structure calculations. For Born-Oppenheimer methods, the electronic structure calculations are converged, whereas in the extended Lagrangian approach the electronic structure is propagated along with the nuclei. Some recent advances for both approaches are discussed.

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Ammonia borane (AB) and sodium borohydride (SBH) are candidate materials for on-board hydrogen storage that can be dehydrogenated upon demand. The rheological properties of the dehydrogenated by-products are important to quantify their removal and transportability from the hydrogen storage system. This paper presents visco-elastic property (elastic stiffness and viscous damping) measurements of the spent fuels obtained from AB hydrolysis, hydrothermolysis and thermolysis; and SBH hydrolysis. Smaller stiffness and larger mobility (or smaller viscous damping) indicate better transportability of the spent fuel. In addition, flow property (dynamic angle of repose and avalanching time) measurements for the hydrolysis spent fuels of AB and SBH are also presented. Comparing with the SBH hydrolysis spent fuel, the AB hydrolysis spent fuel had a lower stiffness and larger mobility, as well as lower angles of ...

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The first application of optical Stark modulation has been applied to measure spatially precise Stark-modulated IR absorption spectra in a flame.

Science.gov (United States)

Sep 1, 2011 ... Estimating Travel Cost Model: Spatial Approach. In: Annual Meetings of the American Agricultural Economics Association. ...

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green (both light and dark tones) and purple, bare areas are seen in ...... spatial scale continue to plague such efforts. Knowledge of the spatial ...

DEFF Research Database (Denmark)

Udgivelsesdato: Spring

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Aberrant amyloid-b peptide (Ab) accumulation along with altered expression and function of nicotinic acetylcholine receptors (nAChRs) stand prominently in the etiology of Alzheimer's disease (AD). Since the discovery that Ab is bound to a7 nAChRs under many experimental settings, including post-mortem AD brain, much effort has been expended to understand the implications of this interaction in the disease milieu. This research update will review the current literature on the a7 nAChR-Ab interaction in vitro and in vivo, the functional consequences of this interaction from sub-cellular to cognitive levels, and discuss the implications these relationships might have for AD therapies.

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Abstract Hepatitis B (HBV) and C (HCV) viruses are the most important infections transmitted by the parenteral route in patients receiving maintenance dialysis. The prevalence varies markedly from country to country. The aim of this study is to review the efficacy of the strategies to reduce the incidence of these infections and the trend of results in Iran. As a routine, all hemodialysis patients in Iran have biannual blood samples for assessment of serum HBSAg, HBS Abs, and HCV Abs. The data are collected in the Ministry of Health. For statistical analysis, prevalence, and incidence were calculated. There is an increasing prevalence/incidence of end-stage renal disease (ESRD) in Iran, from 238/49.9 pmp in 2000 to 357/63.8 pmp in 2006. The prevalence of positive HBSAg and HCV Abs decrease...

Science.gov (United States)

... QVUX`TcYWjRSZ[YXTeof\\OWXabgn]egig[Z^S]^`PhlWOe_W\\V_DKFFNZSMVT_NT[QXOMX\\\\TY] aSRd[^roan`rdt[\\] pedel\\_ YWdrR`ehUodbi`_abXUbi_O[\\i[ZSfZHX^Zkhc_T^jav ...

British Library Electronic Table of Contents (United Kingdom)

The levels of General Transcription Factor (TF) IIA were examined during mammalian brain development and in rat embryo fibroblasts and transformed cell lines. The large TFIIA subunit paralogues ab and t are largely produced in unsynchronized cell lines, yet only TFIIA ab is observed in a number of differentiated tissue extracts. Steady-state protein levels of the TFIIA t, ab, and g subunits were significantly reduced when human embryonal (ec) and hepatic carcinoma cell lines were stimulated to differentiate with either all-trans-retinoic acid (ATRA) or sodium butyrate. ATRA-treated NT2-ec cells required replating to induce a neuronal phenotype and loss of detectable TFIIA t and g proteins. High levels of TFIIA t, ab, and g and Sp factors were identified in extracts from human fetal and rat...

UK PubMed Central (United Kingdom)

Background/Objective:Three patients with spinal cord injury (SCI) and 3 able-bodied (AB) patients were infused with naloxone during a study to examine their neuroendocrine...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This conference was held December 4--8, 1994 in Asilomar, California. The purpose of this meeting was to provide a forum for exchange of state-of-the-art information concerning the prediction of protein structure. Attention if focused on the following: comparative modeling; sequence to fold assignment; and ab initio folding.

UK PubMed Central (United Kingdom)

Despite the demonstrated clinical efficacy of CD20 monoclonal antibody (mAb) for lymphoma therapy, the in vivo mechanisms of tumor depletion remain controversial and variable. To identify the molecular...Full Text Available

UK PubMed Central (United Kingdom)

Electronic and structural properties of antiphase boundaries in group III-V semiconductor compounds have been receiving increased attention due to the potential to integration of optically-active III-V...Full Text Available

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The device is designed for automatic testing of the degree of discharge of tractive storage batteries (AB) for electric loaders, electric cars and electric ore locomotives. The basic electrical schematic of the device is cited.

International Nuclear Information System (INIS)

Ab initio total-energy calculations, based on the exact muffin-tin orbital method, are used to determine the elastic properties of Pd1-xAgx random alloys in the face-centered-cubic crystallographic phase. The compositional disorder is treated within the coherent-potential approximation. The single crystal and polycrystalline elastic constants and the Debye temperature are calculated for the whole range of concentration, 0?x?1. It is shown that the variation in the elastic parameters of Pd-Ag alloys with chemical composition strongly deviates from a simple linear or parabolic trend. The complex electronic origin of these anomalies is demonstrated.

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A {lambda}gt11 cDNA library was constructed from poly(U)-Spharose-selected Entamoeba histolytica trophozoite RNA in order to clone and identify surface antigens. The library was screened with rabbit polyclonal anti-E. histolytica serum. A 700-base-pair cDNA insert was isolated and the nucleotide sequence was determined. The deduced amino acid sequence of the cDNA revealed a cysteine-rich protein. DNA hybridizations showed that the gene was specific to E. histolytica since the cDNA probe reacted with DNA from four axenic strains of E. histolytica but did not react with DNA from Entamoeba invadens, Acanthamoeba castellanii, or Trichomonas vaginalis. The insert was subcloned into the expression vector pGEX-1 and the protein was expressed as a fusion with the C terminus of glutathione S-transferase. Purified fusion protein was used to generate 22 monoclonal antibodies (mAbs) and a mouse polyclonal antiserum specific for the E. histolytica portion of the fusion protein. ...

International Nuclear Information System (INIS)

The helicase action of the Escherichia coli UvrAB complex on a covalently closed circular DNA template was monitored using bacterial DNA topoisomerase I, which specifically removes negative supercoils. In the presence of E. coli DNA topoisomerase I and ATP, the UvrAB complex gradually introduced positive supercoils into the input relaxed plasmid DNA template. Positive supercoils were not produced when E. coli DNA topoisomerase I was replaced by eukaryotic DNA topoisomerase I or when both E. coli and eukaryotic DNA topoisomerases I were added simultaneously. These results suggest that like other DNA helix-tracking processes, the ATP-dependent action of the UvrAM complex on duplex DNA simultaneously generates both positive and negative supercoils, which are not constrained by protein binding but are torsionally strained. The supercoiling activity of UvrAB on UV-damaged DNA was also studied using UV-damaged plasmid DNA and a ...

UK PubMed Central (United Kingdom)

We analyzed the effect of short-term water deficits at different periods of sunflower (Helianthus annuus L.) leaf development on the spatial and temporal patterns of tissue expansion...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundGeographic Information Systems (GIS) can provide valuable insight into patterns of human activity. Online spatial display applications, such as Google Earth, can democratise...Full Text Available

UK PubMed Central (United Kingdom)

Bacterial processes in soil, including biodegradation, require contact between bacteria and substrates. Knowledge of the three-dimensional spatial distribution of bacteria at the microscale is necessary...Full Text Available

UK PubMed Central (United Kingdom)

Spatial abilities have been associated with many ecologically-relevant behaviors such as territoriality, mate choice, navigation and acquisition of food resources. Differential demands on spatial...Full Text Available

UK PubMed Central (United Kingdom)

Water-maze testing has been used to assess prenatal cocaine (PCOC)- induced deficits in behavioral studies of spatial navigation and memory abilities. Effects of PCOC in acquisition or in probe...Full Text Available

Science.gov (United States)

... spatially defined fashion. Many surface modification techniques require a sequential chemical treatment of the surface.6 ...

Science.gov (United States)

... increasing photorealism. Furthermore, developments in audio technology continue to increase the spatial awareness of users in VEs. ...

Energy Technology Data Exchange (ETDEWEB)

This doctoral thesis addresses some problems in the analysis of spatial and spatial-temporal data and discusses prediction, prediction errors and identification of emission sources. European sulphur data are used as illustration. In an investigation of a spatial-temporal decomposition model for improving estimates of spatial interpolation (prediction) errors from monitoring data, the estimates were improved compared to estimates obtained by the method known as Kriging (an extension of the Wiener-Kolmogorov theory from time series to spatial processes), although the interpolated values were quite similar. A study of a random process model with an unknown, slowly varying trend and a correlated residual process is performed, using both trend estimation (smoothing) and prediction. Local polynomial methods are extended to continuous random processes. A new approach to non-parametric ...

CERN Document Server

This thesis is divided up into five chapters as outlined below. Chapter 1 gives the background to the techniques used in this thesis including X-ray structure determination and ab initio methods. An overview of some recent studies using ab initio methods to study transition metal complexes is also given. Chapter 2 investigates structural trans influence in a number of transition metal and p-block complexes. The database and ab initio studies showed that the classical trans influence model based on Pt(II) chemistry does not always hold. For some systems (eg. d sup 1 sup 0 s sup 0 for Sb sup V and Sn sup I sup V) the cis influence is of similar magnitude to the trans influence. For other systems (d sup 0), the trans influence is not as powerful as usually assumed. Chapter 3 is an investigation into the bridging chloride unit. A database study was performed on three systems (M-CI-M', M-CI...H and M-CI...Li/Na/K). Reaction ...

International Nuclear Information System (INIS)

In this study, SnO2 thin films have been grown using spray pyrolysis technique on glass substrates under a substrate temperature (Ts = 440 oC). The precursors were methanol CH4O and anhydrous tin tetrachloride. XRD analyses yielded strong (1 1 0)-(1 0 1)-(2 0 0) X-ray diffraction peaks which are characteristics to tetragonal crystals. Atomic Force Microscopy (AFM) analyses showed the existence of clusters with particular pyramidal shapes. The main part of this study concerns the optical measurements of transmittance T(?) and reflectance R(?) spectra inside 250-1800 nm domain. Conjoint optical and thermal properties were deduced using the Amlouk-Boubaker Opto-Thermal Expansivity ?AB. The obtained value: ?AB ? 23.4 m3 s-1 helped situating the performance of the as-grown SnO2 compound among most known PV-T oxides like ZnO and TiO2.

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Amyloid precursor protein (APP), a key protein in pathogenesis of Alzheimer's disease (AD), is a type I transmembrane protein which can be cleaved by b- and g-secretase to release the amyloidogenic b-amyloid peptides (Ab) and the APP intracellular domain (AICD). While Ab has been widely believed to initiate pathogenic cascades culminating AD, the physiological functions and regulations of AICD remain elusive. In present study, endogenous AICD was demonstrated to be increased by canonical Wnt signal. Instead of due to g-secretase activity, enhanced AICD expression was found due to the increased protein stability by Wnt/b-catenin. b-Catenin was demonstrated to be an associating partner of AICD, capable of promoting AICD mediated transcriptional activity. Investigation by AICD mutants proved ...

British Library Electronic Table of Contents (United Kingdom)

Alzheimer's disease (AD) is a neurodegenerative disorder for which the research of new treatments is highly challenging. Since the fibrillogenesis of amyloid-b peptide 1-42 (Ab1-42) peptide is considered as a major cause of neuronal degeneration, specific interest has been focused on aromatic molecules for targeting this peptide. In this paper, the synthesis of selegiline-functionalized and fluorescent poly(alkyl cyanoacrylate) nanoparticles (NPs) and their evaluation for the targeting of the Ab1-42 peptide are reported. The synthetic strategy relied on the design of amphiphilic copolymers by tandem Knoevenagel-Michael addition of cyanoacetate derivatives, followed by their self-assembly in aqueous solutions to give the corresponding NPs. Different cyanoacetates were used: (i) hexadecyl cy...

British Library Electronic Table of Contents (United Kingdom)

Ethnopharmacological relevance: Tong Luo Jiu Nao (TLJN) is a modern Chinese formula based on Traditional Chinese Medicine theory that has been used to treat ischemic cerebral stroke and vascular dementia. TLJN belongs to the ethnopharmacological family of medicines. In this study, we investigated the mechanism of the TLJN effect on Alzheimer's disease (AD). Aim of the study: To investigate the effect of TLJN on b-amyloid-degrading enzymes and learning and memory in the AD rat brain. Materials and methods: AD rats whose disease was induced by Ab25-35 injection into the bilateral hippocampus CA1 region were subjected to intragastric administration of various preparations. The experimental animals were healthy male Sprague-Dawley rats which were randomly divided into normal, sham, model, TLJN...

Energy Technology Data Exchange (ETDEWEB)

The structure of ammonium azide (NH{sub 4})N{sub 3} was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A{sup 3}; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

British Library Electronic Table of Contents (United Kingdom)

We carried out theoretical analyses based on ab initio calculations that incorporate free energy of the vapor phase in order to determine the initial growth process of cubic GaN on GaN (001)-(4x1). The results suggest that a N-adsorbed structure appears at the initial growth stage and then Ga adsorbs on the N-adsorbed GaN (001)-(4x1) surface. Considering this process, we performed Monte Carlo simulations. The results suggest that the maximum point of Ga coverage after supplying a Formula Not Shown monolayer of atoms shifted toward a Ga-rich condition from V/III=1.0.

CERN Document Server

This work presents accurate ab initio determination of the hyperfine splitting for the ground state and few low-lying excited states of 113Cd+; important candidates for the frequency standard in the microwave region, using coupled-cluster theory (CC) in the relativistic framework. The calculated hyperfine splitting are well in agreement with recent experimental results. We have also carried out the lifetimes of the 5p2P1=2 and 5p2P3=2 states, which are in well agreement with recent experimental result (Moehring et al., PRA 73 023413, 2006). The roles of different electron correlation effects in the determination of these quantities are discussed and their contributions are presented in the CC terms.

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The reactions of the hydroxyl radical with hydrocarbons and fluoro hydrocarbons attract significant attention due to their importance in atmospheric chemistry. Its reactions with the two first hydrocarbons, methane and ethane are of special interest because, owing to the small size of these systems, they serve as a prototype for the theoretical studies of hydrogen abstraction reactions. In this work, the reaction and activation energies of the hydroxyl radical abstraction reaction with methane and ethane have been investigated by correlated ab initio and DFT methods. The DFT reaction energies are in good agreement with experimental values, but the activation energies may be in severe error. (authors) 22 refs.

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This book examines some of the basic principles behind chemical reactions kinetics. Topics considered include ab initio determination of potential energy for chemical reactions; semi-empirical potential energy surfaces; general theory of reactive scattering: different equation approach; and integral equation approach to reactive scattering.

International Nuclear Information System (INIS)

In this work, the principal continuum radiative emission processes, which occur during the penetration of ions in solids or gases, are resumed. The characteristics of the following processes are discussed: secondary electron bremsstrahlung (SEB), atomic bremsstrahlung (AB), and internuclear bremsstrahlung (INB). Recent advances of the ion channeling effects in crystal solids on the spontaneous radiative spectra are exposed. (A.C.A.S.).

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We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

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We show that the relation between D-branes and noncommutative tachyons leads very naturally to the relation between D-branes and K-theory. We also discuss some relations between D-branes and K-homology, provide a noncommutative generalization of the ABS construction, and give a simple physical interpretation of Bott periodicity. In addition, a framework for constructing Neveu--Schwarz fivebranes as noncommutative solitons is proposed.

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We report on large-scale applications of the ab initio, no-core shell model with the primary goal of achieving an accurate description of nuclear structure from the fundamental inter-nucleon interactions. In particular, we show that realistic two-nucleon interactions are inadequate to describe the low-lying structure of {sup 10}B, and that realistic three-nucleon interactions are essential.

International Nuclear Information System (INIS)

Using ab initio (SCF/6-31G) method, mechanisms of proton migrations in methaboric acid dimers have studied. It is shown that in all the dimers considered a cooperative transfer of protons occurs. The calculated values of activation barriers of cooperative proton transfer reactions in the dimers are equal to 28.6 kcal/mol.

UK PubMed Central (United Kingdom)

In this study we show the effect of anti-sulfatide (RmAb) antibodies and inflammatory cytokines, TNF-α and IFN-γ in inducing myelin basic protein (MBP) degradation in myelin...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

A wavelet transformation is performed over each of the spatial coordinates of the scalar wave equation. This transformed equation is solved directly with a finite-difference scheme for both homogeneous and smooth inhomogeneous media. Wavefield extrapolation is performed completely in the spatial wavelet domain without transforming back into the space domain at each time step. The wavelet coefficients are extrapolated, rather than the wavefield itself. The numerical solution of the scalar wave equation in the spatial wavelet domain is closely related to the finite-difference method because of the compact support of the wavelet bases. Poststack reverse-time migration is implemented as an application. The resolution spaces of the wavelet transform provide a natural framework for multigrid analysis. Migrated images are constructed from various resolution spaces.

Science.gov (United States)

The Morris water maze is widely used to evaluate to evaluate the spatial learning ability of rodents under laboratory settings. The present study demonstrates that reproductive male meadow voles, Microtus pennsylvanicus, are able to acquire and retain a spatial water maze task using celestial cues. Voles were able to acquire a modified outdoor Morris water maze task over 4 trials per day, whereby they had to learn and remember the location of a submerged hidden platform, using the position of the sun and associated celestial cues. Their proficiency on this task was related to the availability of the celestial cues, with voles displaying significantly poorer spatial navigation on overcast than clear days and when the testing time (and position of the sun and associated celestial cues) was shifted from morning to afternoon. These findings with meadow voles support the ecological relevance of the water maze task. PMID:8031502

CERN Document Server

Spatial Fluorescence Cross Correlation Spectroscopy is a rarely investigated version of Fluorescence Correlation Spectroscopy, in which the fluorescence signals from differ-ent observation volumes are cross-correlated. In the reported experiments, two observation volumes, typically shifted by a few $\\mu$m, are produced, with a Spatial Light Modulator and two adjustable pinholes. We illustrated the feasibility and potentiality of this technique by: i) measuring molecular flows, in the range 0.2 - 1.5 $\\mu$m/ms, of solutions seeded with fluorescent nanobeads or rhodamine molecules (simulating active transport phenomenons); ii) investigating the perme-ability of phospholipidic membrane of Giant Unilamellar Vesicles versus hydrophilic or hydrophobic molecules (in that case the laser spots were set on both sides of the mem-brane). Theoretical descriptions are proposed together with a discussion about FCS based, alternative methods.

British Library Electronic Table of Contents (United Kingdom)

Spatial ability is a powerful systematic source of individual differences that has been neglected in complex learning and work settings; it has also been neglected in modeling the development of expertise and creative accomplishments. Nevertheless, over 50years of longitudinal research documents the important role that spatial ability plays in educational and occupational settings wherein sophisticated reasoning with figures, patterns, and shapes is essential. Given the contemporary push for developing STEM (science, technology, engineering, and mathematics) talent in the information age, an opportunity is available to highlight the psychological significance of spatial ability. Doing so is likely to inform research on aptitude-by-treatment interactions and Underwood's (1975) idea to utili...

Science.gov (United States)

... determination of the molar extinction coefficients, e, were measured by the Lowry method with native a-toxin as a standard. Binding Kinetics. ...

Science.gov (United States)

... The variogram analysis of the high resolution imagery has shown that although more spatial scales have been identified than from the SPOT image ...

Science.gov (United States)

vetted educational resources. (Gregory Smith, Lafayette, La., 337-266-8501) Award for DARPA Competition: Scott Wilson, spatial analysis branch chief at the USGS National Wetlands...

British Library Electronic Table of Contents (United Kingdom)

Even if there have been efforts to validate remote-sensing-based energy balance models, which provide evapotranspiration (ET) maps over a large spatial scale, few studies have been conducted to validate their performance in Korea. In this study, surface energy balance fluxes including ET were estimated and inter-compared with two different models using the Landsat-5 Thematic Mapper (TM) image over a watershed scale in Korea. While there were larger spatial discrepancies for net radiation, soil heat and sensible heat fluxes on a pixel-by-pixel basis between the two models, relatively smaller spatial discrepancies for the latent heat flux and daily ET were detected. The spatial discrepancies for the daily ET were larger in low topography and dense vegetation ranges. Despite the different par...

UK PubMed Central (United Kingdom)

Cis-acting regulatory sequences are required for the proper temporal and spatial control of gene expression. Variation in gene expression is highly heritable and a significant determinant...Full Text Available

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The association between invasive and native species varies across spatial scales and is affected by phylogenetic relatedness, but these issues have rarely been addressed in aquatic ecosystems. In this study, we used a non-native, highly invasive species of Poaceae (tropical signalgrass) to test the hypotheses that (i) tropical signalgrass success correlates negatively with success of most native species of macrophytes at fine spatial scales, but its success correlates positively or at random with natives at coarse spatial scales, and that (ii) tropical signalgrass is less associated with native species belonging to the family Poaceae than with species belonging to other families (Darwin?s naturalization hypothesis). We used a dataset obtained at fine (0.25?m2) and coarse (ca. 1,000?m2) sca...

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We demonstrate a two-dimensional device simulator for MOSFET structures that incorporates models for defect distributions and show predicted effects on device switching performance for various spatial distributions of defects in amorphous and polycrystalline silicon.

UK PubMed Central (United Kingdom)

BackgroundCholera has persisted in Ghana since its introduction in the early 70's. From 1999 to 2005, the Ghana Ministry of Health officially reported a total of 26,924 cases and...Full Text Available

UK PubMed Central (United Kingdom)

Spatial distributions of turgor and longitudinal growth were compared in primary roots of maize (Zea mays L. cv FR27 × FRMo 17) growing in vermiculite at high (−0.02...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Numerical errors of PALLAS calculation due to spatial mesh sizes are examined for a typical deep penetration shielding problem of isotropic incident fission neutrons penetrating a 200-cm-thick water slab. The exponential approximation for the source spatial distribution to solve the transport equation based on the direct integration method is verified to be effective for radiation transport in attenuating medium, while the linear approximation employed in the old PALLAS code is found to produce large errors for calculations with large mesh sizes.

CERN Document Server

Dimensional metrology and positioning operations are used in many fields of particle accelerator projects. This lecture gives the basic tools to designers in the field of measure by analysing the spatial layout of measurement systems since it is central to dimensional metrology as well as positioning operations. In a second part, a case study dedicated to a synchrotron storage ring is proposed from the detection of the magnetic centre of quadrupoles to the orbit definition of the ring.

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Resistive analogous meters for spatial and time characteristics in ocean agitation are most often used in practical oceanography in coastal zones but are based on bridge circuits determined to have shortcomings in their linearity range. This shortcoming is eliminated in the circuit of an instrument developed in an oceanographic laboratory (IMIO, Vana). Principle and block circuits are indicated, and static calibration curves are presented as are the correlative functions in the frequency spectrums obtained with the help of sea agitation recorded at a fixed point and at a depth of 6 meters.

Energy Technology Data Exchange (ETDEWEB)

The ab initio pseudopotential method is used to study transient-enhanced-diffusion (TED) related processes. The electronic degrees of freedom are included explicitly, together with the fully self-consistent treatment of the electron charge density. A large supercell and a fine k-point mesh are used to ensure numerical convergence. Such method has been demonstrated to give quantitative description of defect energetic. We will show that boron diffusion is significantly enhanced in the presence of the Si interstitial due to the substantial lowering of the migrational barrier through a kick-out mechanism. The resulting mobile boron can also be trapped by another substitutional boron, forming an immobile and elect rically inactive two-boron pair. Similarly, carbon diffusion is also enhanced significantly due to the pairing with Si interstitial. However, carbon binds to Si interstitial much more strongly than boron does, taking away most Si interstitial from boron at ...

International Nuclear Information System (INIS)

In this thesis, a new ab-initio method for molecular dynamics within the framework of density functional theory was developed and implemented. It is strongly related to the projector-augmented-wave method (PAW) by P. Bloechl, but also includes elements of a pseudocharge method proposed by M. Weinert for the full-potential linearized augmented plane wave method (FLAPW). Like the FLAPW-method, the PAW-method is an all-electron method. In the later case, the hamiltonian takes quite a simple form similar to the one obtained when using normconserving Kleinman-Bylander-type pseudopotentials or ultrasoft Vanderbilt pseudopotentials. The PAW-method allows for an efficient calculation of systems containing virtually any element of the periodic table, including those which require high numerical effort when treated using normconserving pseudopotentials (e.g. 2p-elements like oxygen or 3d-transitional metals like copper). In addition, a higher accuracy compared to the ...

Science.gov (United States)

There is an increased emphasis on hyphenated techniques such as immunoaffinity LC/MS/MS (IA-LC/MS/MS) or IA-LC/MRM. These techniques offer competitive advantages with respect to sensitivity and selectivity over traditional LC/MS and are complementary to ligand binding assays (LBA) or ELISA's. However, these techniques are not entirely straightforward and there are several tips and tricks to routine sample analysis. We describe here our methods and procedures for how to perform online IA-LC/MS/MS including a detailed protocol for the preparation of antibody (Ab) enrichment columns. We have included sample trapping and Ab methods. Furthermore, we highlight tips, tricks, minimal and optimal approaches. This technology has been shown to be viable for several applications, species and fluids from small molecules to proteins and biomarkers to PK assays. PMID:21872661

CERN Document Server

Aims. We attempt to detect starlight reflected from a hot Jupiter, orbiting the main-sequence star HD 75289Ab. We report a revised analysis of observations of this planetary system presented previously by another research group. Methods. We analyse high-precision, high-resolution spectra, collected over four nights using UVES at the VLT/UT2, by way of data synthesis. We try to interpret our data using different atmospheric models for hot Jupiters. Results. We do not find any evidence for reflected light, and, therefore, establish revised upper limits to the planet-to-star flux ratio at the 99.9% significance level. At high orbital inclinations, where the best sensitivity is attained, we can limit the relative reflected radiation to be less than e = 6.7 x 10-5 assuming a grey albedo, and e = 8.3 x 10-5 assuming an Class IV function, respectively. This implies a geometric albedo smaller than p = 0.46 and p = 0.57, for the grey albedo and the Class IV albedo shape, ...

CERN Document Server

Over the last decade {\\it ab initio} modeling of material properties has become widespread in diverse fields of research. It has proved to be a powerful tool for predicting various properties of matter under extreme conditions. We apply modern computational chemistry and materials science methods, including density functional theory (DFT), to solve lingering problems in the modeling of the dense atmospheres of cool white dwarfs ($T_{\\rm eff}\\rm <7000 \\, K$). Our work on the revision and improvements of the absorption mechanisms in the hydrogen and helium dominated atmospheres resulted in a new set of atmosphere models. By inclusion of the Ly-$\\rm \\alpha$ red wing opacity we successfully fitted the entire spectral energy distributions of known cool DA stars. In the subsequent work we fitted the majority of the coolest stars with hydrogen-rich models. This finding challenges our understanding of the spectral evolution of cool white dwarfs. We discuss a few ...

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

CERN Document Server

The nature of the first generation of stars in the Universe remains largely unknown. Observations imply the existence of massive primordial stars early in the history of the universe, and the standard theory for the growth of cosmic structure predicts that structures grow hierarchically through gravitational instability. We have developed an ab initio computer simulation of the formation of primordial stars that follows the relevant atomic and molecular processes in a primordial gas in an expanding universe. The results show that primeval density fluctuations left over from the Big Bang can drive the formation of a tiny protostar with a mass of just one percent that of the sun. The protostar is a seed for the subsequent formation of a massive primordial star.

International Nuclear Information System (INIS)

Building on the concepts of MIRD methods described by Webber, Watson and others at this Symposium on the Dosimetry of Administered Radionuclides, we will now consider how to apply these principles to several experimentally based open-quote macroclose quotes and multicellular models. Specifically, methods to calculate absorbed dose using different types of particulate emission (alpha, beta) with a variety of antibody carriers (IgG, F(ab')_2, Fab) for radioimmunotherapy (RIT) will be reviewed. Additionally, a discussion of direct measurement methods at the multicellular level will reveal the problems of tumor absorbed dose heterogeneity when applied to animal and clinical studies.

Energy Technology Data Exchange (ETDEWEB)

We present ab-initio calculations of the electronic structure of small Fe clusters (1-9 atoms) on Ni(001), Ni(111), Cu(001) and Cu(111) surfaces. Our focus is on the spin moments and their dependence on cluster size and shape. We derive a simple quantitative rule that relates the moment of each Fe atom linearly to its coordination number. Thus, for an arbitrary Fe cluster the spin moment of the cluster and of the individual Fe atoms can be readily found if the positions of the atoms are known. (orig.)

CERN Document Server

We review an analysis of a consistent renormalization of the top and bottom quark/squark sector of the MSSM with complex parameters (cMSSM). Various renormalization schemes are defined, analyzed analytically and tested numerically in the decays Stop_2 -> Sbottom_i H^+/W^+ (i = 1,2). No scheme is found that produces numerically acceptable results over all the cMSSM parameter space, where problems occur mostly already for real parameters. Some numerical examples for Gamma(Stop_2 -> Sbottom_1 H^+) in our preferred scheme, "m_b, A_b DRbar" are shown.

CERN Document Server

In this note, we derive from Anstee's fractional $(g,f)$-factor theorem a similar characterization for the property of all fractional $(g,f)$-factors. Let $a$ be two positive integers and $G$ a graph of order $n$ sufficiently large for $a$ and $b$. Then G has all fractional $[a, b]$-factors if the minimum degree is at least $\\delta(G)\\geq \\frac{1}{4a}((a+b-1)^2+4b)$ and every pair of non-adjacent vertices has cardinality of the neighborhood union at least $bn/(a + b)$. This lower bounds are sharp.

International Nuclear Information System (INIS)

The dependence of the efficiency of a coaxial IGC-30 Ge detector on the direction of gamma quanta entry, their energy and the distance from the source is examined. A set of point sources QCR-2 (Amersham, UK) has been used which is arranged consecutively in two perpendicular planes passing through the detector axis, at a distance of 0.1 - 1.3 m (pace 0.1) from its geometric centre for 16 different angles in every plane. Dependence curves of the efficiency on the angle of gamma-quanta hits are obtained for energies 60, 81, 122, 356, 662, 834, 1173 and 1332 keV. Changes in efficiency connected with spatial dividing ability are found out. Using the least squares' method the expected spatial distribution of efficiency is examined with a level of authenticity P > 0.9. The possible causes for the efficiency change and its possible effect on the measurements' precision are discussed. (author).

CERN Document Server

We consider Bianchi VI spacetime, which also can be reduced to Bianchi types VI0-V-III-I. We initially consider the most general form of the energy-momentum tensor which yields anisotropic stress and heat flow. We then derive an energy-momentum tensor that couples with the spatial curvature in a way so as to cancel out the terms that arise due to the spatial curvature in the evolution equations of the Einstein field equations. We obtain exact solutions for the universes expanding with constant deceleration parameter. The solutions are reduced to each Bianchi type. The dynamics of the models and fluid are examined briefly, and the models that can approach to isotropy are determined.

Science.gov (United States)

A 100-bit slitlike aperture array spatial light modulator has been developed using 8.8/65/35 PLZT for a high-bit-density 1-D hologram memory. The most desirable characteristics, such as distortion-free diffraction-limited Fourier transform patterns and good uniformity of displayed bit patterns over 100 bits, have been realized. The lowest SNR was 86, and rise time and fall time have been 30 microsec and 8 microsec, respectively, at 190-V halfwave voltage. One-dimensional holographic storage experiments have been successfully performed using this PLZT spatial light modulator. PMID:20216813

Energy Technology Data Exchange (ETDEWEB)

We investigate the quantum cosmology of spatially homogeneous models with compact spatial sections admitting a u(2) isometry algebra. The metric ansatz in these models is that of Bianchi type IX with two scale factors set to be equal. We apply the Hartle-Hawking no-boundary path integral prescription and find the semi-classical contributions to the wave function. Exact formulae are obtainable for certain contributions and otherwise the limits of large and small anisotropy (for the pure vacuum case) and large spatial volume or small anisotropy (for the case with a positive cosmological constant) are considered. For the pure vacuum case we find no semiclassical components which would correspond to Lorentzian universes. For the case with a cosmological constant the Hartle-Hawking boundary conditions formally constrain one of the parameters in the Lorentzian solutions to be purely imaginary. Possible interpretations of this ...

Energy Technology Data Exchange (ETDEWEB)

From aerosol spectral optical depths ({tau}{sub p{lambda}}) at wavelengths in the range 380 to 1025 nm estimated at different locations in the near and far coastal regions of the Arabian sea adjoining the western coast of central India, the spatial and spectral characteristics of coastal aerosols and the effect of the proximity to the (urban) continent are investigated. The Aangstroem parameters are deduced from {tau}{sub p{lambda}} values. A significant increase, both in aerosol optical depths at shorter (visible) wavelengths ({lambda} {<=} 600 nm) and the Aangstroem wavelength exponent are observed in the near coastal regions, suggesting an increase in the (relative) concentration of sub micron particles, apparently of anthropogenic origin. The Aangstroem turbidity coefficient remains nearly steady spatially, indicating a (spatially) uniform loading of large particles. 31 refs, 10 figs, 1 tab

Science.gov (United States)

The PVSCAN is an instrument designed to characterize silicon solar cell materials and devices. It performs a host of measurements that yield spatial maps of dislocation density, grain distribution, reflectance, and photoresponses from near-junction and the bulk of a solar cell.

UK PubMed Central (United Kingdom)

Estrogens have direct effects on the brain areas controlling cognition. One of the most studied of these regions is the dorsal hippocampal formation, which governs the formation of spatial and...Full Text Available

UK PubMed Central (United Kingdom)

Background and AimsIn spatially heterogeneous environments, a trade-off between seedling survival and relative growth rate may promote the coexistence of plant species. In temperate...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundThe sound-induced flash illusion is an auditory-visual illusion – when a single flash is presented along with two or more beeps, observers report seeing two or...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundCholera has claimed many lives throughout history and it continues to be a global threat, especially in countries in Africa. The disease is listed as one of three internationally...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundPrevention of Chagas disease depends mainly on control of the insect vectors that transmit infection. Unfortunately, the vectors have been resurgent in some areas. It is...Full Text Available

UK PubMed Central (United Kingdom)

A previous report of high levels of members of the domain Archaea in Antarctic coastal waters prompted us to investigate the ecology of Antarctic planktonic prokaryotes. rRNA hybridization...Full Text Available

UK PubMed Central (United Kingdom)

The level of bone morphogenetic protein 2 (BMP2) profoundly influences essential cell behaviors such as proliferation, differentiation, apoptosis, and migration. The spatial and temporal pattern...Full Text Available

UK PubMed Central (United Kingdom)

We examined the effect of spatial iconicity (a perceptual simulation of canonical locations of objects) and word-order frequency on language processing and episodic memory of orientation. Participants...Full Text Available

Wastenet

...Quality = $290,604 to improve permit compliance and appropriate preservation of wetlands by providing a spatial dataset to locate individual wetland permits on a property using high resolution imagery within specific regions of Virginia; this data set will be compared with the permit Comprehensive Environmental Database System that is currently used ...

UK PubMed Central (United Kingdom)

Localized mRNA provides spatial and temporal protein expression essential to cell development and physiology. To explore the mechanisms involved, considerable effort has been spent in establishing new...Full Text Available

UK PubMed Central (United Kingdom)

Study objectiveThe study aim was to improve our understanding of the relationships between contextual socioeconomic characteristics and coronary heart disease (CHD)...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

It is shown that a relativistic point kinematics with one independent dilation of (scalar) proper time for each spatial freedom degree would give a really rigorous physical significance to the ordinary logical resolution of the clock paradox between systems in relative motion.

UK PubMed Central (United Kingdom)

A two-channel optical system has been developed to provide spatially resolved simultaneous imaging of singlet molecular oxygen (¹O₂) phosphorescence and photosensitizer (PS) fluorescence...Full Text Available

UK PubMed Central (United Kingdom)

It has previously been established that muscles become active in response to deviations from a threshold (referent) position of the body or its segments, and that intentional motor actions result from...Full Text Available

UK PubMed Central (United Kingdom)

We report on a high resolution, monolithic crystal PET detector design concept that provides depth of interaction (DOI) positioning within the crystal. Our design utilizes a novel sensor on...Full Text Available

UK PubMed Central (United Kingdom)

New neurons are generated in the granule cell layer of the dentate gyrus (GCL) throughout adulthood. This process is modulated by many environmental and neurochemical factors. We previously...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

We suggest and describe the use of a binary pseudo-random (BPR) grating as a standard test surface for measurement of the modulation transfer function (MTF) of interferometric microscopes. Knowledge of the MTF of a microscope is absolutely necessary to convert the measured height distribution of a surface undergoing metrology into an accurate power spectral density (PSD) distribution. For an'ideal' microscope with an MTF function independent of spatial frequency out to the Nyquist frequency of the detector array with zero response at higher spatial frequencies, a BPR grating would produce a flat 1D PSD spectrum, independent of spatial frequency. For a'real' instrument, the MTF is found as the square root of the ratio of the PSD spectrum measured with the BPR grating to the'ideal,' spatial frequency independent, PSD spectrum. We present the results from a ...

UK PubMed Central (United Kingdom)

BackgroundMost analyses of spatial clustering of disease have been based on either residence at the time of diagnosis or current residence. An underlying assumption in these analyses...Full Text Available

UK PubMed Central (United Kingdom)

AbstractThis study investigated the distribution of bovine spongiform encephalopathy (BSE) in herds of cattle in Ireland over the years 1996 through 2000, prior to the introduction of...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Current projections of the response of the biosphere to global climatic change indicate as much as 50% to 90% spatial displacement of extratropical biomes. The mechanism of spatial shift could be dominated by either (1) competitive displacement of northern biomes by southern biomes, or (2) drought-induced dieback of areas susceptible to change. The current suite of global biosphere models cannot distinguish between these two processes, thus determining the need for a mechanistically based biome model. The model is in an early stage of development and will require several enhancements, including explicit simulation of potential evapotranspiration, extension to boreal and tropical biomes, a shift from steady-state to transient dynamics, and validation on other continents.

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The role of natural enemies in the regulation of populations is one of the major questions facing population ecologists. Simplification have led to two theoretical ways of incorporating the role of natural enemies in single ecological models: diffusion models and patch-type models. The predictions of the models are different because of the way variability is incorporated. Three equations are presented for diffusion models and one for patch models. Since the two types of models apply at different combinations of spatial and temporal scales, the right model(s) to choose for a particular study requires careful assessment. A continuing dialogue between experimentalists and theoreticians will lead to a better understanding of natural systems such as those that occur in biological control.

International Nuclear Information System (INIS)

The US study of the posterior compartment of the knee usually allows the clinical suspicion of popliteal cyst to be confirmed. Neverthless, in case of giant Baker's cysts - which are, at any rate, less frequent -US diagnosis is more difficult. CT can help determine the benign nature of the lesion, and hallow an accurate spatial evaluation. Moreover CT, when accurately performed, demonstrates the caudal or cranial cystic spread, together with its clear separation from adjacent muscular tissues. Direct coronal scans are more useful to obtain better spatial definition than reformatted images.

Science.gov (United States)

Several experiments showed that the classical Kolmogorov power spectral density of the refractive-index sometimes does not properly describe the statistics of the atmosphere. In this paper we show an experimental testbed able to generate non-classical Kolmogorov turbulence by using a liquid crystal spatial light modulator. The testbed is used at Naval Postgraduate School for laboratory investigation of laser beam propagation in maritime environment where a power law different from classical Kolmogorov, 11/ 3, could be present. Applications of this testbed are ship to-ship free space optical communication, imaging and high energy laser weapons.

Energy Technology Data Exchange (ETDEWEB)

It is shown that all contracting, spatially homogeneous, orthogonal Bianchi cosmologies that are sourced by an ultra-stiff fluid with an arbitrary and, in general, varying equation of state asymptote to the spatially flat and isotropic universe in the neighbourhood of the big crunch singularity. This result is employed to investigate the asymptotic dynamics of a collapsing Bianchi type IX universe sourced by a scalar field rolling down a steep, negative exponential potential. A toroidally compactified version of M*-theory that leads to such a potential is discussed and it is shown that the isotropic attractor solution for a collapsing Bianchi type IX universe is supersymmetric when interpreted in an 11-dimensional context.

Energy Technology Data Exchange (ETDEWEB)

Currently there are four different concept studies trying to optimise the detector for the requirements at the ILC. In three of these detector concepts a time projection chamber (TPC) is foreseen as the main tracking device. To achieve the intended spatial resolution of 100 {mu}m, micro pattern gas detectors (MPGD) are considered for gas amplification. The two different MPGDs discussed for the ILC TPC are Micro-Mesh Gaseous Detectors (Micromegas) and Gas Electron Multiplier foils (GEMs). The current thesis shows resolution studies with a TPC prototype equipped with a triple GEM readout structure. A hodoscope made up of silicon strip sensors gives a precision reference track, allowing an unbiased measurement of the spatial resolution. High statistics measurements have been conducted at the DESY test beam facility, which provides positrons with a tunable energy between 1 GeV and 6 GeV. Using the independent measurement of the hodoscope allows ...

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The Kadomtsev-Petviashvili equation describes nonlinear dispersive waves which travel mainly in one direction, generalizing the Korteweg-de Vries equation for purely uni-directional waves. In this Letter we derive an improved KP-equation that has exact dispersion in the main propagation direction and that is accurate in second order of the wave height. Moreover, different from the KP-equation, this new equation is also valid for waves on deep water. These properties are inherited from the AB-equation (E. van Groesen, Andonowati, 2007 ) which is the unidirectional improvement of the KdV equation. The derivation of the equation uses the variational formulation of surface water waves, and inherits the basic Hamiltonian structure.

British Library Electronic Table of Contents (United Kingdom)

By means of ab-initio electronic structure calculation and one-dimensional Boltzmann transport equation solution, we investigate the size dependent thermoelectric (TE) properties of n-type ZnO nanowires (NWs) and surface passivation effects. As demonstrated by our calculations, largest figure of merit ZT achievable in thin NWs is larger than that in wide NWs, whereas being restrained by higher demand of n-type doping. Moreover, bare NWs are superior in TE application comparing with the passivated. To compete with conventional TE materials, lattice thermal conductivity of ZnO NWs should be at least 2 orders of magnitude lower than bulk value.

International Nuclear Information System (INIS)

We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from ab initio calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800 degree C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. copyright 1998 American Institute of Physics.

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The human articular cartilagineous proteoglycans (PG) R.I.A. is highly specific. The PG used as the standard and the /sup 125/I labelled molecule appear to be pure. Under these conditions, all the potential interfering substances which have been tested show no cross reaction. For instance, the Ag-Ab equilibrium is not affected by adding human IgG, human albumin, hyaluronic acid, chondroitin sulfate, rat type II collagen or total human serum proteins. This R.I.A. also exhibits a species spcificity since there is no cross reaction with rat PG and negligible cross section with dog PG. The results obtained after addition of enzymes to the antigen demonstrate that the antigenic sites are localized on the protein region and not on the glycosaminoglycan region of the molecule.

Energy Technology Data Exchange (ETDEWEB)

A survey was undertaken of literature on the conversion of coke-fired cupola furnaces so that they can be fuelled, either wholly or partially, with natural gas. The aim was to determine the most suitable method for a specific furnace. Substitution with natural gas can result in speedier adjustment and control of the smelting process and in addition operational costs are reduced as natural gas is a cheaper fuel. The payback period would be one year. Pollutive emissions would be reduced. It was concluded that the most satisfactory solution would be that 3-4 gas burners should be placed immediately above the smelting zone in the furnace. Each burner should be placed in a separate combustion box in which the complete combustion process could take place. The burners should be placed symmetrically about the furnace, pointing at a small degree downwards. In this way the combustion chamber will not be filled with materials from the furnace and the burners will not be damaged. ...

British Library Electronic Table of Contents (United Kingdom)

A new chemical reactor, the Open Plate Reactor, is being developed by Alfa Laval AB. It combines good mixing with high heat transfer capacity into one operation. With the new concept, highly exothermic reactions can be produced using more concentrated reactants. A nonlinear model of the reactor is derived and a control system is developed. For temperature control a cooling system is designed and experimentally verified, which uses a mid-ranging control structure to increase the operating range of the hydraulic equipment. A Model Predictive Controller is proposed to maximize the conversion under hard input and state constraints. An extended Kalman filter is designed to estimate unmeasured concentrations and parameters. Simulations show that the designed control system gives high conversion ...

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ABB High Voltage Cables AB started the MPS (More Power Submarine cables) project in 1993 with a view to exploring new technology opportunities. The goal is to design and type test a submarine HVDC cable for a capacity of 1200 MW at 600 kV. On the day before ABB announced its success in winning the contract for the world`s largest ever submarine HVDC link project for the gigantic Bakun project in Malaysia, ABB Power Systems described progress to date at a symposium in Karlskrona. The proceedings included a test demonstration on an extruded cable which eventually broke down at a stress of over 935 kV -not in the insulation itself but in the end terminations. The electric field was in excess of 200 kV/mm which is higher than ever before reported. (UK)

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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)

2-methylpropan-1-ol (isobutanol) is a leading candidate biofuel for the replacement or supplementation of current fossil fuels. Recent work has demonstrated glucose to isobutanol conversion through a modified amino acid pathway in a recombinant organism. Although anaerobic conditions are required for an economically competitive process, only aerobic isobutanol production has been feasible due to an imbalance in cofactor utilization. Two of the pathway enzymes, ketol-acid reductoisomerase and alcohol dehydrogenase, require nicotinamide dinucleotide phosphate (NADPH); glycolysis, however, produces only nicotinamide dinucleotide (NADH). Here, we compare two solutions to this imbalance problem: (1) over-expression of pyridine nucleotide transhydrogenase PntAB and (2) construction of an NADH-de...

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By ab-initio calculation we show that the (Ga,Fe)N ground state may be changed from anti-ferromagnetic to ferromagnetic by acceptor defect like Ga vacancies. The electronic structures are calculated by using the Korringa-Kohn-Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that we can increase the magnetic moment of Fe in p-type GaN by oxygen co-doping. Mechanism of exchange interactions between magnetic ions in p-type (Ga,Fe)N is also studied. The effect of external magnetic field on the electronic structure of (Ga, Fe)N and p-type (Ga, Fe)N is investigated.

British Library Electronic Table of Contents (United Kingdom)

The transformation mechanism of hexagonal delta phase from the disordered bcc gamma phase has not been reported before in the Zr-rich U-Zr alloy system. With the help of X-ray diffraction, transmission electron microscopy (TEM) and high-resolution TEM analyses it was shown that the gamma to delta conversion takes place by the lattice collapse mechanism of omega transformation. It was also ascertained that a higher aging temperature or time promotes the growth of all four variants of the delta phase within a parent gamma grain. In addition, ab initio electronic structure calculations showed that the bcc to hexagonal transformation, involving partial ordering of the parent bcc phase followed by (111) plane collapse, is energetically favorable.

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The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-Models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to individual computer programmes and prototypes, and examples and diagrams are presented. The programmes described deal with handling design elements in relation to AutoCAD designs, and the formatting of a building`s data from AutoCAD to tsbi3 format. ...

British Library Electronic Table of Contents (United Kingdom)

In order to obtain the electronic structure of leucine (Leu) in aqueous solution, we studied three systems: Leu+7H2O, Leu+8H2O and Leu+9H2O. The results indicated that the system Leu+8H2O was the only choice which was both acceptable and doable: its computational effort was affordable, and it could simulate a main part of the solvent effect on the electronic structure of Leu in solution. Based on the system Leu+8H2O, all-electron, ab initio calculations were performed to construct an equivalent potential of water for the electronic structure of Leu with dipoles. The results showed that the main effect of water on the electronic structure of Leu was raising the occupied states about 0.0824 Ry on average, and broadening the energy gap by 11%. The water effect on the electronic structure of L...

CERN Document Server

We explored ways of doing spatial search within a relational database: (1) hierarchical triangular mesh (a tessellation of the sphere), (2) a zoned bucketing system, and (3) representing areas as disjunctive-normal form constraints. Each of these approaches has merits. They all allow efficient point-in-region queries. A relational representation for regions allows Boolean operations among them and allows quick tests for point-in-region, regions-containing-point, and region-overlap. The speed of these algorithms is much improved by a zone and multi-scale zone-pyramid scheme. The approach has the virtue that the zone mechanism works well on B-Trees native to all SQL systems and integrates naturally with current query optimizers - rather than requiring a new spatial access method and concomitant query optimizer extensions. Over the last 5 years, we have used these techniques extensively in our work on SkyServer.sdss.org, and SkyQuery.net.

International Nuclear Information System (INIS)

We developed a new TLD array for precise dose measurement and verification of the spatial dose distribution in small radiation targets. It consists of a hemicylindrical, tissue-equivalent rod made of polystyrene with 17 parallel moulds for an exact positioning of each TLD. The spatial resolution of the TLD array was evaluated using the Leskell spherical phantom. Dose planning was performed with KULA 4.4 under stereotactic conditions on axial CT images. In the Leksell gamma unit the TLD array was irradiated with a maximal dose of 10 Gy with an unplugged 14 mm collimator. The doses delivered to the TLDs were rechecked by diode detector and film dosimetry and compared to the computer-generated dose profile. We found excellent agreement of our measured values, even at the critical penumbra decline. For the 14 mm and 18 mm collimator and for the 11 mm collimator combination we compared the measured and calculated data at full width at half maximum. ...

Energy Technology Data Exchange (ETDEWEB)

A thermoluminescence (TL) sheet and its spatial readout system for in vivo measurement of spatial dose distribution around sources has been newly developed for intracavitary high dose-rate radiation therapy. The TL sheet (40 cm x 50 cm x 200 {mu}m), which is composed of teflon mixed with BaSO{sub 4} (Eu doped) powder, has a linear response with a very wide dynamic range from at least 0.002 cGy to 5000 cGy for {sup 60}Co sources. Phantom test of the TL sheet readout system demonstrated that absorbed dose with TL sheet and that with ionization chamber as standard dosimeter agreed well. For clinical application, TL sheet was attached on an applicator of intracavitary radiation therapy for rectal cancer. After irradiation with high dose-rate {sup 60}Co sources, the in vivo dose distribution on the surface of the rectum was determined. The TL sheet was suggested to provide a convenient means of measuring the dose distribution around {sup 60}Co ...

International Nuclear Information System (INIS)

The quantum behavior of the vacuum Bianchi type-IX universe with the cosmological constant is investigated in terms of the Ashtekar variables. An exact solution to the quantum Hamiltonian constraint in the holomorphic representation is given. This solution reduces to the Hartle-Hawking wave function in the spatially isotropic sector and extends in the triad representation to the classically forbidden region where the determinant of the spatial metric becomes negative. The analysis of the quantum Robertson-Walker universe indicates that if the superspace is extended to such a classically forbidden region, the holomorphic representation picks up some restricted class of solutions in general. This observation leads to a new ansatz on the boundary condition of the Universe. In particular, the behavior of the Lorentzian and Euclidean WKB orbits corresponding to the solution suggests a new picture on the semiclassical behavior of the quantum ...

Energy Technology Data Exchange (ETDEWEB)

The relationship between the fractal dimensions of spatial distributions of aftershocks and pre-existing active faults is examined. Fourteen mainshocks taking place in Japan were followed by aftershocks, and the aftershocks occur in swarms around the mainshocks. The epicentral distributions of the aftershocks exhibit fractal properties, and the fractal dimensions are estimated by using the two-point correlation integral. The pre-existing active fault systems observed in the 14 aftershock regions have fractal structures, and the fractal dimensions are estimated by using the box-counting method. A positive correlation between the estimated fractal dimensions is found, and it is independent on the mainshock magnitude. The correlation shows that aftershock distributions become less clustered with increasing the fractal dimensions of active fault systems. Namely, the fractal clusters of aftershocks are put under the constraint of the fractal properties of the ...

Energy Technology Data Exchange (ETDEWEB)

We investigate the quantum cosmology of spatially homogeneous models with compact spatial sections admitting a u(2) isometry algebra. The metric ansatz in these models is that of Bianchi type IX with two scale factors set to be equal. We apply the Hartle-Hawking no-boundary path integral prescription and find the semi-classical contributions to the wave function. Exact formulae are obtainable for certain contributions and otherwise the limits of large and small anisotropy (for the pure vacuum case) and large spatial volume or small anisotropy (for the case with a positive cosmological constant) are considered. For the pure vacuum case we find no rapidly oscillating semiclassical components in the wave function, and hence do not recover lorentzian space-time as a prediction of the no-boundary proposal. For the case with a cosmological constant the wave function does contain rapidly oscillating components and thus predicts ...

Energy Technology Data Exchange (ETDEWEB)

In this work, the Calibration-Free approach for Laser-Induced Breakdown Spectroscopy (CF-LIBS) was applied for the first time to radially resolved spectra emitted by a laser-induced plasma. The radial profiles of plasma temperature and electron number density were used to calculate the local relative concentration of the elements of interest. We analyzed a set of profiles of the local spectral emission coefficient obtained previously by means of spatial deconvolution of the spectra from a copper-based alloy (Cu 93, Fe 5, Mn 1, Ni 1 wt.%) laser-induced plasma. A spatially integrated spectrum of the same plasma was also analyzed for comparison purpose. The relative abundance of the minor components Fe, Mn and Ni was calculated. The results obtained from the central region of the plasma were closer to the nominal concentrations than those obtained from the spatially integrated spectrum. However, an increasing deviation was ...

International Nuclear Information System (INIS)

The new nonlinear optical crystal Rb3V5O14 has been synthesized by solid state reaction and characterized by single-crystal X-ray diffraction, IR and thermogravimetric analysis. The crystal Rb3V5O14 crystallizes in the trigonal system with space P31m (No. 157), a=b=8.7134(12) A, c=5.2807(11) A and ?=90o, ?=90o, ?=120o, Z=1, ?=3.516 g/cm3. It is a layered structure that is very flat and strongly parallel to c. The V5O14 layer structure consists of corner-linked square and triangular pyramids. The layers are separated by Rb+ ions, which fit equally well on the V5O14 layer. The Kurtz powder SHG measurement, using 1064 nm radiation, showed that the second-harmonic generation efficiency of Rb3V5O14 is about two times that of KDP. -- Graphical abstract: The new nonlinear optical crystal Rb3V5O14 has been synthesized by solid state reaction and characterized by single-crystal X-ray diffraction, IR and thermogravimetric analysis. The crystal Rb3V5O14 crystallizes in the ...

International Nuclear Information System (INIS)

Radioisotopes of Pb(II) have been of some interest in radioimmunotherapy and radioimmunoimaging (RII). However, the absence of a kinetically stable bifunctional chelating agent for Pb(II) has hampered its use for these applications. "2"0"3Pb (T_1_/_2=52.02 h) has application potential in RII, with a #gamma#-emission that is ideal for single photon emission computerized tomography, whereas "2"1"2Pb (T_1_/_2=10 h) is a source of highly cytotoxic #alpha#-particles via its decay to its "2"1"2Bi (T_1_/_2=60 min) daughter. The synthesis of the novel bifunctional chelating agent 2-(4-isothiocyanotobenzyl)-1,4,7,10-tetraaza-1,4,7,10-tetra-(2-carbamoyl methyl)-cyclododecane (4-NCS-Bz-TCMC) is reported herein. The Pb[TCMC]"2"+ complex was less labile to metal ion release than Pb[DOTA]"2"- at pH 3.5 and below in isotopic exchange experiments. In addition to increased stability to Pb"2"+ ion release at low pH, the bifunctional TCMC ligand was found to have many other advantages over the ...

Science.gov (United States)

The complexity and diversity of the microbial communities in biogranules from an upflow anaerobic sludge blanket (UASB) bioreactor were determined in response to short-term changes in substrate feeds. The reactor was fed simulated brewery wastewater (SBWW) (70% ethanol, 15% acetate, 15% propionate) for 1.5 months (phase 1), acetate / sulfate for 2 months (phase 2), acetate-alone for 3 months (phase 3), and then a return to SBWW for 2 months (phase 4). Performance of the reactor remained relatively stable throughout the experiment as shown by COD removal and gas production. 16S rDNA, methanogen-associated mcrA and sulfate reducer-associated dsrAB genes were PCR amplified, then cloned and sequenced. Sequence analysis of 16S clone libraries showed a relatively simple community composed mainly of the methanogenic Archaea (Methanobacterium and Methanosaeta), members of the Green Non-Sulfur (Chloroflexi) group of Bacteria, followed by fewer numbers of Syntrophobacter, ...

Energy Technology Data Exchange (ETDEWEB)

We have developed a kinetic Monte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. Below 1050o C, the kMC simulation produces ...

Science.gov (United States)

In 1999, RECONS (Research Consortium on Nearby Stars) began gathering astrometric data using the CTIO 0.9m under the auspices of the NOAO Surveys Program. In 2003, SMARTS began operating the 0.9m and the program continued, with an enhanced ability to acquire long-term astrometric series on the nearest stars. With over a decade of milli-arcsecond astrometry for hundreds of red dwarfs within 25 pc, we now have a rich dataset in which to search for previously unknown stellar, substellar, and planetary companions. We can also use our data to better constrain the orbits of known binaries to reduce their mass errors to less than a few percent, and consequently test astrophysical models as never before. Here we present our orbit fitting analysis of M dwarfs that show clear evidence of gravitational perturbations due to unseen companions, after solving for their proper motion and parallax signals. We show discoveries such as LHS 3738AB, found for the first time to have a ...

Energy Technology Data Exchange (ETDEWEB)

(12/11)CASSCF and (12/11)CASPT2 ab initio electronic structure calculations with both the cc-pVDZ and cc-pVTZ basis sets find that there is a barrier to the very exothermic hydrogen shift that converts singlet methylnitrene, CH{sub 3}N, to methyleneimine, H{sub 2}C{double{underscore}bond}NH. These two energy minima are connected by a transition structure of C{sub s} symmetry, which is computed to lie 3.8 kcal/mol above the reactant at the (12/11)CASPT2/cc-pVTZ//(12/11)CASSCF/cc-pVTZ level of theory. The (12/11)CASSCF/cc-pVTZ value for the lowest frequency vibration in the transition structure is 854 cm{sup {minus}1}, and CASPT2 calculations concur that this a{double{underscore}prime} vibration does indeed have a positive force constant. Thus, there is no evidence that this geometry is actually a mountain top, rather than a transition structure, on the global potential energy surface or that a C{sub 1} pathway of lower energy connects the reactant to the product. ...

Energy Technology Data Exchange (ETDEWEB)

The advent, in the near future, of compact X-ray sources like Thomson Back-Scattering (TBS) will allow the clinical application of advanced X-ray imaging techniques, such as phase contrast, with higher sensitivity and lower impact in terms of dose delivery. In this work, we theoretically investigated the possibility of using such sources for phase contrast imaging of micro-calcifications included in a breast tissue. In our study we analyzed the phase and amplitude distribution of the TBS source and we showed that this source can be used for phase contrast imaging since the source coherence at the sample position is sufficiently high for achieving good contrast and micrometer spatial resolution. Indeed the spatial coherence of a TBS source is closer to that of a synchrotron radiation source, and much better than that of a laboratory source. Moreover, we showed the advantages of phase imaging with respect to standard absorption imaging, in the ...

International Nuclear Information System (INIS)

The spatial distribution of argon clusters in gas jet is tested using the Rayleigh scattering method. A pulsed laser is used to acquire the whole evolution of the cluster inside one event. The measured results at a fixed axial position show that the argon clusters grow in less than one millisecond after the nozzle is opened and the cluster size keeps constant during the whole open period of 20 ms. Further results show that the scattering signal along the radial direction is almost Gaussian-distributed and the full width half maximum (FWHM) increases almost linearly when the distance from nozzle increases. The scattering signal along the axial direction is Landau-distributed and the area near the nozzle is most effective for laser cluster interaction. (authors)

British Library Electronic Table of Contents (United Kingdom)

We combine establishment-level employment data with trade data by port to examine the impact of accession to the European Economic Community on the spatial distribution of UK manufacturing. We test the predictions from economic geography models of how external trade affects the spatial distribution of employment. We treat accession as a natural experiment which helps mitigate problems of endogeneity. Our results suggest that accession changed the country composition of trade and via the port composition induced an exogenous shock to different locations. In line with theory, we find that better access to export markets and intermediate goods increase employment while increased import competition decreases employment.

British Library Electronic Table of Contents (United Kingdom)

We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954 eV for Mg. We report the geo...

British Library Electronic Table of Contents (United Kingdom)

We describe a position sensitive photon counting microchannel plate based detector with an improved quadrant anode (QA) readout system. The technique relies on a combination of the four planar elements pattern and an additional fifth electrode. The charge cloud induced by single particle detection is split between the electrodes. The measured charge values uniquely define the position of the initial event. QA has been first published in 1976 by Lampton and Malina. This anode configuration was undeservedly forgotten and its potential has been hardly underestimated. The presented approach extends the operating spatial range to the whole sensitive area of the microchannel plate surface and demonstrates good linearity over the field of view. Therefore, the novel image sensor results in spatial...

Science.gov (United States)

A position-sensitive event-counting electronic readout system for microchannel plates (MCPs) is described that offers the advantages of high spatial resolution and fast time resolution. The technique relies upon a four-quadrant electron-collecting anode located behind the output face of the microchannel plate, so that the electron cloud from each detected event is partly intercepted by each of the four quadrants. The relative amounts of charge collected by each quadrant depend on event position, permitting each event to be localized with two ratio circuits. A prototype quadrant anode system for ion, electron, and extreme ultraviolet imaging is described. The spatial resolution achieved, approx. =10 ..mu.., allows individual MCP channels to be distinguished. (AIP)

International Nuclear Information System (INIS)

The ozone production process in a pulsed positive dielectric barrier discharge (DBD) is studied by measuring the spatial distribution of ozone density using a two-dimensional laser absorption method. DBD occurs in a 6 mm point-to-plane gap with a 1 mm-thick glass plate placed on the plane electrode. First, the propagation of DBD is observed using a short-gated ICCD camera. It is shown that DBD develops in three phases: primary streamer, secondary streamer and surface discharge phases. Next, the spatial distribution of ozone density is measured. It is shown that ozone is mostly produced in the secondary streamer and surface discharge, while only a small amount of ozone is produced in the primary streamer. The rate coefficient of the ozone production reaction, O + O_2 + M #-># O_3 + M, is estimated to be 2.5 x 10"-"3"4 cm"6 s"-"1.

Energy Technology Data Exchange (ETDEWEB)

The application of a method for determining the temperature of an oxygen-replenished air stream heated to 2600 K by a hydrogen burner is reviewed and discussed. The purpose of the measurements is to determine the spatial uniformity of the temperature in the core flow of a ramjet test facility. The technique involves sampling the product gases at the exit of the test section nozzle to infer the makeup of the reactant gases entering the burner. Knowing also the temperature of the inlet gases and assuming the flow is at chemical equilibrium, the adiabatic flame temperature is determined using an industry accepted chemical equilibrium computer code. Local temperature depressions are estimated from heat loss calculations. A description of the method, hardware and procedures is presented, along with local heat loss estimates and uncertainty assessments. The uncertainty of the method is estimated at {+-}31 K, and the spatial uniformity was measured ...

CERN Document Server

Classic and recent results for gauge effects on the properties of the normal-to-superconducting phase transition in bulk and thin film superconductors are reviewed. Similar problems in the description of other natural systems (liquid crystals, quantum field theory, early universe) are also discussed. The relatively strong gauge effects on the fluctuations of the ordering field at low spatial dimensionality D and, in particular, in thin (quasi-2D) films are considered in details. A special attention is paid to the fluctuations of the gauge field. It is shown that the mechanism in which these gauge fluctuations affect on the order of the phase transition and other phase transition properties varies with the variation of the spatial dimensionality D. The problem for the experimental confirmation of the theoretical predictions about the order of the phase transitions in gauge systems is discussed.

British Library Electronic Table of Contents (United Kingdom)

An Environmental Impact Assessment (EIA) study for any project is a time- consuming process because it has a large number of dependent and independent variables that must be taken into account. Although EIAs are dependent on geo-spatial information in order to make an assessment, there are no standard rules for conducting an environmental assessment. In addition, each assessment objective is case-dependent, based on what information is available. This paper presents a new framework for the analysis phase of the Environmental Impact Assessment (EIA) for projects, based on the integration between remote sensing technology, geographic information systems, and spatial modeling. The framework comprehensively analyzes the environmental vulnerability around the project areas and its impact on the...

British Library Electronic Table of Contents (United Kingdom)

Purpose: In this paper, we present an alternative to the originally proposed technique for the delivery of spatially fractionated radiation therapy (GRID) using multi-leaf collimator (MLC) shaped fields. We employ the MLC to deliver various pattern GRID treatments to large solid tumors and dosimetrically characterize the GRID fields. Methods and materials: The GRID fields were created with different open to blocked area ratios and with variable separation between the openings using a MLC. GRID designs were introduced into the Pinnacle3 treatment planning system, and the dose was calculated in a water phantom. Ionization chamber and film measurements using both Kodak EDR2 and Gafchromic EBT film were performed in a SolidWater phantom to determine the relative output of each GRID design as w...

International Nuclear Information System (INIS)

The authors are developing a high specificity detector for detecting the increased metabolic rate of breast tumors. Positron emission mammography (PEM) provides a highly efficient, high spatial resolution positron imaging system. PMT plays a very important role in PEM detectors, because most of the systems consist of scintillator arrays coupled with PMT. Our detector is composed of 20 x 20 arrays of 2 mm x 2 mm x 20 mm of Bi_4Ge_3O_1_2 (BGO) scintillators and a novel flat panel position-sensitive PMT (FP-PS-PMT)-Hamamatsu R8400-00-M256. Spatial resolutions of 2.0 mm FWHW and energy resolutions of 23% FWHM are achieved. (authors)

Energy Technology Data Exchange (ETDEWEB)

The dynamical effects of spatially homogeneous electromagnetic fields on anisotropic Bianchi type-IX models are studied. The Lagrangians and Hamiltonians affecting the evolution of anisotropy (including the gravitational and electromagnetic potentials) are obtained for very general spatially homogeneous metrics by means of the Arnowitt-Deser-Misner Hamiltonian formalism. For models having diagonal metrics an exact solution for the electromagnetic fields is obtained. This solution allows a qualitative solution for the gravitational variables. The total solution is similar to that of Brill. For Bianchi type-IX models having symmetric and general metrics, a discussion of the qualitative behavior of the universe point under the influence of the above potentials is given. In particular, it is shown that in some cases the presence of the electromagnetic potential inhibits some types of singularities.

Energy Technology Data Exchange (ETDEWEB)

The solution of the governing steady transport equations for momentum, heat and mass transfer in flowing fluids can be very difficult. These difficulties arise from the nonlinear, coupled, nonsymmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this manuscript the authors focus on evaluating a proposed nonlinear solution method based on an inexact Newton method with backtracking. In this context they use a particular spatial discretization based on a pressure stabilized Petrov-Galerkin finite element formulation of the low Mach number Navier-Stokes equations with heat and mass transport. The discussion considers computational efficiency, robustness and some implementation issues related to the proposed nonlinear solution scheme. Computational results are presented for several challenging CFD benchmark problems as well as two large scale 3D flow simulations.

Energy Technology Data Exchange (ETDEWEB)

A fast multipole transformation is adapted to the evaluation of summations that occur in global climate calculations when transforming between spatial and spherical harmonic representations. For each summation, the timing of the fast multipole transformation scales linearly with the number of latitude gridpoints, but the timing for direct evaluations scales quadratically. In spite of a larger computational overhead, this scaling advantage renders the fast multipole method faster than direct evaluation for transformations involving greater than approximately 300 to 500 gridpoints. Convergence of the fast multipole transformation is accurate to machine precision. As the resolution in global climate calculations continues to increase, an increasingly large fraction of the computational work involves the transformation between spatial and spherical harmonic representations. The fast multipole transformation offers a significant reduction in ...

International Nuclear Information System (INIS)

27 cases including 7 outpatients, underwent intraarterial DSA using 4-F nylon catheter, by transbrachial arterial approach. Much of DSAs were performed in Fuji Computed Radiography (FCR), which has high spatial resolution. In all cases, image quality satisfied clinical demands. No major complication occured in this series. Transbrachial arterial digital subtraction angiography is excellent and safe method for screening of vascular disease. (author).

Energy Technology Data Exchange (ETDEWEB)

Three types of drift chambers are being constructed for the Fermilab D/O/ experiment. The construction and readout of these chambers stress good spatial resolution, good two hit separation, and dE/dx. A 106 MHz FADC system with hardware zero suppression is being constructed to readout this system. 8 refs., 12 figs., 1 tab.

Energy Technology Data Exchange (ETDEWEB)

Geostatistical techniques make it possible to qualitatively and quantitatively analyze spatiotemporal inherent characteristics of environmental radiation or radioactivity. Spatial patterns and trend analysis of environmental radioactivity, e.g., {sup 137}Cs and {sup 40}K, in soil around nuclear facilities (Kori, Wolsung, Yeonggwang, Uljin, and Daejeon) will be investigated and discussed.

International Nuclear Information System (INIS)

We demonstrate the existence of shear-free cosmological models with rotation and expansion which support inflationary scenarios. The corresponding metrics belong to the family of spatially homogeneous models with the geometry of the closed universe (Bianchi type IX). We show that the global vorticity does not prevent inflation and can even accelerate it.

CERN Document Server

We attempt to reformulate eleven dimensional supergravity in terms of an object that unifies the three-form and the metric and makes the M-theory duality group manifest. This short note deals with the case of where the U-duality group SO(5,5) acts in five spatial dimensions.

International Nuclear Information System (INIS)

We describe exact cosmological solutions with rotation and expansion in the low-energy effective string theory. These models are spatially homogeneous (closed Bianchi type IX) and they belong to the family of shear-free metrics which are causal (no closed timelike curves are allowed), admit no parallax effects and do not disturb the isotropy of the background radiation. The dilaton and the axion fields are nontrivial, in general, and we consider both cases with and without the central charge (effective cosmological constant).

Energy Technology Data Exchange (ETDEWEB)

Quantitative digital imaging, using planar laser light scattering techniques is being developed for the analysis of turbulent and reacting flows. Quantitative image data, implying both a direct relation to flowfield variables as well as sufficient signal and spatial dynamic range, can be readily processed to yield two-dimensional distributions of flowfield scalars and in turn two-dimensional images of gradients and turbulence scales. Much of the development of imaging techniques to date has concentrated on understanding the requisite molecular spectroscopy and collision dynamics to be able to determine how flowfield variable information is encoded into the measured signal. From this standpoint the image is seen as a collection of single point measurements. The present effort aims at realizing necessary improvements in signal and spatial dynamic range, signal-to-noise ratio and spatial resolution in the imaging system as ...

Energy Technology Data Exchange (ETDEWEB)

It is proven that there do not exist any Bianchi type-IX universes which expand for an infinite time, provided only that the matter satisfies the dominant energy condition and has non-negative average pressure (i.e., a non-negative trace of the spatial projection of the stress-energy tensor). This generalizes a proof recently given by us for the case of diagonal Bianchi type-IX solutions.

Wastenet

...) Abstract: Fluorescence microscopic imaging is widely used in biomedical research to study molecular and cellular processes in cell culture or tissue samples. This is motivated by the high inherent sensitivity of fluorescence techniques, the spatial resolution that compares favorably with cellular dimensions, the stability of the fluorescent labels used and the sophisticated strategies that have been developed for selectively labeling target molecules. More recently, two and ...

Energy Technology Data Exchange (ETDEWEB)

Time resolved light scattering from laser-induced electrostrictive gratings was used for the determination of flow velocities in air at room temperature. By measuring the velocity profile across the width of a slit nozzle we demonstrated the high spatial resolution (about 200 mm) of this novel technique. (author) 3 figs., 1 ref.

International Nuclear Information System (INIS)

The martensitic phase transition in the A-15 compounds is treated by expanding the free energy in terms of the order parameters and its spatial gradients. The model used is a modified version of that recently proposed by Gorkov. The predictions for a wide range of physical properties are in good agreement with experimental results for V_3Si and Nb_3Sn lending support to the veracity of the model. 25 refs.

International Nuclear Information System (INIS)

We analyze the behavior of some Bianchi type-IX, mixmaster cosmological models possessing extra dimensions. We find that, unlike the three-dimensional case, they do not exhibit chaotic behavior on approach to their initial singularity. A finite sequence of stochastic mixmaster oscillations is, in general, replaced by monotonic contraction of the three-space scale factors on approach to a singularity whenever additional spatial dimensions exist with the metric form we consider.

International Nuclear Information System (INIS)

Spatially homogeneous space-times of Bianchi type IX are considered. A general scheme for the derivation of exact solutions of Einstein's equations corresponding to perfect fluid plus pure radiation fields is outlined. Some simple rotating Bianchi type IX cosmological models are presented. The details of these solutions are also discussed. 9 refs. (author).

Energy Technology Data Exchange (ETDEWEB)

The radial distribution function (RDF) derived from wide angle X-ray diffraction patterns gives additional information about the spatial distribution of atoms. Their radial distances and relative average coordination numbers can be calculated using appropriate mathematical procedures. 7 refs.

International Nuclear Information System (INIS)

Purpose: In this paper, we present an alternative to the originally proposed technique for the delivery of spatially fractionated radiation therapy (GRID) using multi-leaf collimator (MLC) shaped fields. We employ the MLC to deliver various pattern GRID treatments to large solid tumors and dosimetrically characterize the GRID fields. Methods and materials: The GRID fields were created with different open to blocked area ratios and with variable separation between the openings using a MLC. GRID designs were introduced into the Pinnacle"3 treatment planning system, and the dose was calculated in a water phantom. Ionization chamber and film measurements using both Kodak EDR2 and Gafchromic EBT film were performed in a SolidWater phantom to determine the relative output of each GRID design as well as its spatial dosimetric characteristics. Results: Agreement within 5.0% was observed between the Pinnacle"3 predicted dose distributions and the ...

International Nuclear Information System (INIS)

The total radiation rate, angular distribution of the emitted energy and photon correlations of the cooperative spontaneous radiation from two atoms with different resonance frequencies and spontaneous decay rates are calculated. Contrary to the case of two identical atoms oscillations appear in the total radiation rate and the spatial distribution of the total number of emitted photons differs from the single-atom radiation pattern. The effect of the dipole-dipole near-field interaction on the time evolution of the atomic system is discussed. (author).

International Nuclear Information System (INIS)

We measured and evaluated digital, pre-sampling and overall imaging properties (characteristic curve, modulation transfer function (MTF), Wiener spectrum (WS), noise equivalent quanta (NEQ)) for Cannon's flat-panel detector (FPD), Fuji computed radiography (FCR) and screen-film (S/F) systems, respectively. First, the digital and overall characteristic curves of FPD and FCR systems were more wide dynamic range than that of the S/F system. Second, the pre-sampling and overall MTF of FPD system were better than those of FCR system a little at lower spatial frequencies than 0.8 mm"-"1, but the overall MTF of FPD and FCR systems were worse than that of S/F system a little at all spatial frequencies. Third, the digital and overall WS of FPD system were similar or better than those of FCR system, but the overall WS of FPD and FCR systems were worse than that of S/F system. Fourth, the pre-sampling and overall NEQ of FPD system were better than those ...

UK PubMed Central (United Kingdom)

The neocortex plays a critical role in the gradual formation and storage of remote declarative memories. Because the circuitry mechanisms of systems-level consolidation are not well understood, the...Full Text Available

Environmental Research Database

DescriptionAt present, measurement of rumen pH for differnt diets and feeding regimes is only possible through direct sampling of the rumen fluid. Such invasive procedures are not practical at the farm level and they have ethical implications for research programmes. This approach also has limitations to its reliability due to spatial variations in acidity within the rumen. Mathematical modelling offers a non-invasive real-time alternative for monitoring rumen pH, and the purpose of the research propose [continued...

Energy Technology Data Exchange (ETDEWEB)

Mixed-convection phenomena can occur within liquid-dominated geothermal reservoirs due to interactions of injected flows, or ground-water flows, with the buoyancy-induced fluid motion. This problem was studied experimentally and numerically for the case of opposing flows about a vertical heat source in a liquid-saturated porous medium. The ratio of the Rayleigh number (Ra) to the Peclet number (Pe) was identified as the nondimensional parameter which characterizes the relative influence of buoyancy-driven to pressure-gradient-driven fluid motion. The transition from mixed to forced convection was numerically determined to be (Ra/Pe) approx. = -0.5, where the minus sign denotes superimposed downflow. Agreement between measured and predicted thermal-field results showed that the finite-element code of Gartling and Hickox (1982 a,b) can be used to model low-temperature (single-phase) geothermal reservoirs throughout the natural, mixed, and forced convection regimes. 9 ...

British Library Electronic Table of Contents (United Kingdom)

We carried out theoretical analyses based on ab initio calculations incorporates in which free energy of the vapor phase is incorporated in order to determine the initial growth kinetics of c-GaN on GaN(001)-(4x1). The feasibility of the theoretical approach had been confirmed by calculations of Ga adsorption-desorption transition temperature and transition beam equivalent pressures on the GaAs(001)-(4x2)b2 surface in our previous work [Y. Kangawa, T. Ito, A. Taguchi, K. Shiraishi, T. Ohachi, Surf. Sci. 493 (2001) 178]. The results of calculations suggest that no Ga adsorption occurs on the initial surface under typical growth conditions but that a Ga adsorption site appears after N adsorption on GaN(001)-(4x1). That is, in the initial growth stage of c-GaN on GaN(001)-(4x1), a N-adsorbed ...

Energy Technology Data Exchange (ETDEWEB)

The BMW four-cylinder two-valve engine was first launched in September 1987 as a 1.8 l engine and was described in detail in [1]. After initial optimisation for model year 94, four years later the engine has undergone a complete technical revision. From model year 98, the four-cylinder two-valve engine with appropriate exhaust emission technology will satisfy the EU3 class for exhaust emissions. (orig.) [Deutsch] Der BMW Vierzylinder-Zweiventilmotor wurde im September 1987 als 1,8-l-Motor erstmals vorgestellt und in [1] ausfuehrlich beschrieben. Nach einer ersten Optimierungsueberarbeitung zum Modelljahr 1994 wurde nun eine grundlegende technische Ueberarbeitung vorgenommen. Der Vierzylindermotor mit Zweiventiltechnik erfuellt als Antriebsaggregat in Verbindung mit einer entsprechenden Abgastechnik bereits ab Modelljahr 1998 die EU 3-Stufe fuer Abgasemissionen. (orig.)

International Nuclear Information System (INIS)

A new three-dimensional treatment planning system (TPS) based on convolution/superposition algorithms (TMS-Radix from HELAX AB, Uppsala, Sweden) was recently installed at the University Hospital in Lund. The purpose of the present study was to design a quality assurance and acceptance testing programme to meet the specific characteristics of this convolution model. The model is based on parametrization of a non-measurable quantity - the polyenergetic pencil beam. However, the verification of the treatment planning model is still dependent on numerous comparisons of measured depth-doses and dose profiles. The test programme was divided in two basic parts: (i) model implementation and beam data consistency and (ii) model performance and limitations in special situations. The first part was scheduled for all photon beam qualities available before they could be used for clinical treatment planning. The second part was performed for selected energies only. The results ...

CERN Document Server

The origin of life and the origin of the universe represent two of the most important problems of science. Both are resolved by hydro-gravitational dynamics (HGD) cosmology (Gibson 1996, Schild 1996, Gibson 2009ab), which predicts frozen primordial hydrogen-helium gas planets in clumps as the dark matter of galaxies. Merging Earth-mass planets formed stars, moons and comets to incubate and cosmically seed the first life. Cometary panspermia (Hoyle and Wickramasinghe 1981, 1982; Wickramasinghe et al. 2009) occurs naturally by HGD mechanisms. Comets and moons are fragments from mergers of stardust covered frozen gas planets in their step-wise growth to star mass. Supernovae from stellar over-accretion of planets produce stardust (C, N, O, P etc.) chemical fertilizer. Planets collect this infected radioactive dust gravitationally, to provide liquid water domains in contact with life nutrients seeded with life prototypes. The first mutating, evolving, life from HGD ...

Energy Technology Data Exchange (ETDEWEB)

A century of technical development put steam turbines on a high level regarding efficiency and reliability. This procedure is still ongoing. The technological-commercial point of view - influenced intensively by liberalisation of the energy-market - makes great demands on field services. Well suited concepts in service and modernization are the solutions, as shown in NPP Emsland upgrade. [German] Ein Jahrhundert technischer Entwick lung brachte Dampfturbinen auf ein hohes Niveau bezueglich Effizienz und Zuverlaessigkeit. Dieser Vorgang ist auch in der heutigen Zeit nicht ab geschlossen. Die technologisch-wirtschaftliche Betrachtungs weise '' von der Liberalisierung des Strommarktes intensiv beeinflusst '' stellt dementsprechend hohe Anforderungen auch an den Kraftwerksservice. Massgeschneiderte Modernisierungs- und Servicekonzepte sind die Antwort, wie das Beispiel Kernkraftwerk Emsland zeigt. (orig.)

International Nuclear Information System (INIS)

To define the prognostic factors after surgical resection and evaluate the effectiveness of Post Operative Radiotherapy (PORT) in cases with cholangiocarcinoma, 44 cases with proximal cholangiocarcinoma were examined. The mean observation period was 20.6 months, and the survival rates 1, 3 and 5 years after the resection were 79.9%, 59.8% and 39.3%, respectively. Univariate analysis revealed that the presence of lymph node metastasis and absence of PORT were significant poor prognostic factors. Multivariate analysis revealed that the absence of PORT was a significant poor prognostic factor. The survival rates for 1 and 3 years after the resection were 80.0% and 40.0% in the curable A/B and PORT (-) group, and 100% and 53.3% in curable C and PORT (+) group. There were no local reccurences in the pathologically classified hm2 and em2 patients who underwent PORT. Even when the surgical margin is positive for the carcinoma pathologically, it is possible to avoid local ...

Energy Technology Data Exchange (ETDEWEB)

The aim was to investigate conditions relating to the substitution of natural gas for part of the amount of cinders previously used as fuel in an existing cupola furnace used in an iron foundry. The process of retrofitting is described. The principle solution is that four gas burners are placed symmetrically around the furnace immediately above the melting zone. They are mounted in separate fire boxes in such a way that they point downwards in order to prevent the fire box being filled with materials from the furnace, which would cause damage to the burners. The burners are continuously controlled to produce an output of 720 - 2620 kW and with 0.5 - 1.5 excess air. This solution was successful although it was found necessary (in order to achieve a satisfactory quality of resulting molten material) to add extra cinders to the furnace resulting in a reduction of only 9% of total cinders used, instead of the hoped-for 15%. The melting temperature was stabilized to ca. 1518 degrees ...

British Library Electronic Table of Contents (United Kingdom)

Some kind of one-dimensional (1D) peanut-shaped fullerene polymers (PSFPs) exhibit metallic properties, but their occurrence conditions are not yet clarified. By using the VASP (Vienna ab-initio simulation package) with density functional theory (DFT) and projector augmented wave (PAW) method, we have performed first-principles electronic structure calculations of four basic 1D PSFPs, T1, T2, T6, and T7 (the name of T1-T6 is the same as that of Wang et al. [9]) and two associated 1D PSFPs, T1SW1 and T6SW that are created by generalized Stone-Wales transformation (GSW) from T1 and T6. We found that almost regular six-membered rings connected throughout the tube are necessary to get metallic properties for the 1D PSFPs, although there may be several other conditions to expect metallic proper...

International Nuclear Information System (INIS)

We have measured the lattice relaxation around As in Si at a homogeneous As concentration of 4x10"1"8 cm"-"3 by EXAFS spectroscopy. From the absorption spectra, distances up to the 4th shell could be extracted. A sizeable misfit due to an increased distance is only observed for the 1st shell. Complementing our experimental work we have performed ab initio calculations based on the density functional theory with the WIEN97 package which uses the linearised augmented plane wave method and with the FHI96md program which uses first-principles pseudo-potentials and a plane wave basis set to investigate the size dependence of the super-cells constructed around one substitutional As atom. The calculations yielded good agreement with our EXAFS experiment so that the determined relaxations can be used as a solid basis for further interpretations of derived parameters such as hyperfine interaction parameters in defect complexes.

British Library Electronic Table of Contents (United Kingdom)

The aim of this study was to evaluate cucurbitacins (Cucs) liver protective activity in vitro and conduct QSAR studies against lipophilicity and ab initio descriptors. Nine Cucs were isolated from Cucurbitaceae plants and eight prepared by C2-alkylation or C16-acylation. Ten Cucs demonstrated protective activity on human hepatocyte-derived HepG2 cells exposed to CCl4 (EC50=2.4-45.3mM) with good margin to toxicity (T/A). All Cucs exhibited anti-proliferative effect on serum-activated rat stellate cells, HSC-T6 (EC50=0.02-4.12mM) with high T/A. While silybin is nontoxic, its protection is lower compared to Cuc D (3), iso-D (4), I (5), B (11), E (12), I-Me (6), L-Me (7), and E-Me (13) on both cell lines. Strong correlations were found for lipophilicity with both protection and toxicity on Hep...

International Nuclear Information System (INIS)

In the presence of hydroxyl anion, both formaldehyde and glyoxal are known to undergo rearrangements involving intermolecular and intramolecular hydride transfer (the Cannizzaro and Benzilic acid rearrangements respectively). The authors report ab initio SCF-MO calculations of the transition state geometries, the activation barriers, and the hydrogen isotope effects for these two reactions. The structure of the transition state for the rection involving formaldehyde is usually basis set dependent, becoming more linear and symmetrical as the basis set size increases. In contrast, the analogous transition state for the glyoxal reaction involves a highly non-linear hydride transfer. They find the isotope effects to be quite low for the Cannizzaro reaction, and significantly larger for the non-linear benzilic acid rection, in apparent contradiction to Westheimer's suggestion the isotope effects reach a maximum for linear hydrogen transfers. Since this hypothesis does ...

Energy Technology Data Exchange (ETDEWEB)

Under the new name of ``geothermal heat pump``, ground-source heat pumps are currently high in demand in Northern America. In sectors characterized by heating and cold air demand, their advantages can be exploited to the full. For Germany, the end-use-energy substitution potential of geothermal heat pumps has been estimated at 1310-1470 PJ annually. Whether this potential can actually be exploited depends essentially on the development of energy prices, but also on the resourcefulness of plant and heat pump manufacturers in upgrading and cheapening geothermal heat pumps. (orig./RHM) [Deutsch] Unter der neuen Bezeichnung `Geothermal Heat Pump` erlebt die erdgekoppelte Waermepumpe z.Zt. in Nordamerika einen Verbreitungsschub. In dem durch Heiz- und Kuehlbedarf charakterisierten Umfeld kann sie Ihre Vorteile voll nutzen. Fuer Deutschland kommt eine Schaetzung zu einem Potential der erdgekoppelten Waermepumpen zur Substition von Endenergie von 1310-1470 PJ/a. Ob dieses Potential ...

Energy Technology Data Exchange (ETDEWEB)

The isotope shifts of the levels 5p/sup 2/ /sup 1/D/sub 2/, /sup 1/S/sub 0/ and 5sns /sup 1/S/sub 0/(n = 7,8) of strontium have been measured between the isotopes 84, 86, 87 and 88 in two-photon transitions from the ground state, using two lasers with different wavelengths. These levels occur below the beginning of the Rydberg series, and are known to exhibit very strong configuration mixing. Mass and field isotope shifts are calculated ab initio by means of the MCHF method for these levels and 5s4d /sup 1/D2, 5s6s /sup 1/S/sub 0/. The qualitative agreement between theory and experiment confirms the necessity of taking into account the mixing (up to 50%) with both the 5p/sup 2/ and 4d/sup 2/ perturbers in the wavefunction expansions.

Energy Technology Data Exchange (ETDEWEB)

The document gives statistics on the pollutive emissions from Danish power plants during the period 1987-1996, the main pollutants being sulphur dioxide, nitrogen oxides and carbon dioxide. Data on efficiency levels relative to the production of electricity and heating and on the power plants` contribution to the total emission of CO{sub 2}, NO{sub x}, and SO{sub 2} from energy consumption in Denmark, are presented, and also as corrected for the net import of electricity. Other data on the emission of each of these chemicals by power plants are presented as factual, and corrected in accordance with the net import of electricity, and as factual per consumed and produced energy unit at the power plants. Short notes on related Danish legislation are found in addition to information on sources, methods and definitions used as a basis for the production of this document. Emission from power stations is dependent on their energy consumption which is in turn controlled by the demand for ...

Energy Technology Data Exchange (ETDEWEB)

The contribution is concerned from a legal point of view with the systematic recording, classification and assessment of specific problems concerning the post-operational phase of a nuclear power plant. As an introduction, present experience with decommissioning in the Federal Republic of Germany is dealt with. The first part treats the factual side of section 7 III AtG, explains the terms mentioned, the concrete extent of licensing and priority relations. In part 2 the preconditions for licensing pursuant to section 7 III AtG are dealt with, the stipulations of which are made difficult in particular on account of the reference in section 7 III sentence 2 AtG. The third part is concerned with the legal consequence of section III AtG, i.e. the extent of official discretionary powers, whereby aspects of radioactive waste management carry great weight. In part four administrative and procedural particularities in the legal sense relating to licensing according to section III AtG are ...

Energy Technology Data Exchange (ETDEWEB)

The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to the individual computer programmes and prototypes, and examples and diagrams are presented. The programmes included are a geometry programme for the calculation of areas, lengths and volumes, a programme for the calculation of heat losses in buildings and for moisture in ...

International Nuclear Information System (INIS)

The isostructural uranium monopnictides and monochalcogenides have become prototype systems in actinide research with respect to their unusual magnetic properties. We have investigated the origins in the electronic structure of the variation in magnetic behavior as the degree of 5f-electron localization changes from localized to itinerant on going up the pnictogen or chalcogen column, thus decreasing the U-U separation. We have applied a synthesis of: (1) A phenomenological theory of orbitally driven magnetic ordering which includes both the hybridization-induced and the RKKY exchange interactions on an equal footing, and (2) Ab initio electronic structure calculations, based on the linear-muffin-tin-orbital method, allowing a first-principles evaluation of the parameters entering the model Hamiltonian. We have investigated systematically characteristic trends and changes of the 5f-state resonance width, the hybridization potential, and the hybridization-induced ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Series of typical -type and pseudo--type halogen-bonded complexes BClY and BBrY and hydrogen-bonded complex BHY (B = C2H4, C2H2, and C3H6; Y = F, Cl, and Br) have been investigated using the MP2/aug-cc-pVDZ method. A striking parallelism was found in the geometries, vibrational frequencies, binding energies, and topological properties between BXY and BHY (X = Cl and Br). It has been found that the lengths of the weak bond d(X)/d(H), the frequencies of the weak bond (X)/(H), the frequency shifts (XY)/(HY), the electron densities at the bond critical point of the weak bonds c(X)/c(H), and the electron density changes c(XY)/c(HY) could be used as measures of the strengths of typical -type and pseudo--type halogen/hydrogen bonds. The typical -type and pseudo--type halogen bond and hyd...

Energy Technology Data Exchange (ETDEWEB)

The aim was to gain experience on how to produce Alkali Metal Thermo-Electric-Converter (AMTEC) cells, for the demonstration of their principles and potentials, as a basis for future commercialization. These cells should be able to present an efficient and direct conversion of thermal energy to electric energy. The system is based on an electro-chemical concentration cell built around a {beta}`` aluminium oxide membrane that separates the two chambers. This material is a good conductor of sodium and a bad conductor of electrons, and it is this property which is taken advantage of. In the two chambers of the cell is found saturated sodium vapour at two temperatures. The motive power is the expansion over the membrane where the sodium ions are transported through it whilst the electrons are forced through the outer cycle. This concept is described in detail in addition to the choice of materials, performance testing and results. It was found possible to produce AMTEC electrodes via ...

International Nuclear Information System (INIS)

This paper introduces examples of satellite imageries analysis and utilizations for safeguards activities. Recently, many kinds of satellite imageries are available in the world i.e., high-spatial resolution, multi- and hyper-spectral, multi-function, and multi-polarization radars. The problem is that how to obtain the required information from these digital images. The Japan Aerospace Exploration Agency (JAXA) has successfully launched the Advanced Land Observing Satellite (ALOS, the nickname is 'Daichi') on 24th January, 2006. The mission objectives are cartography, regional observation, disaster monitoring etc. ALOS has three instruments, PRISM, AVNIR-2, and PALSAR, to achieve these objectives. An overview of ALOS is provided. ALOS follows the Japanese Earth Resources Satellite- 1 (JERS-1) and the Advanced Earth Observing Satellite (ADEOS) and utilizes advanced land-observing technology. ALOS is fling in a Sun-synchronous orbit with an inclination angle of 98.16 ...

CERN Document Server

Spatially resolved studies of star forming regions show that the assumption of spherical geometry is not realistic in most cases, with a major complication posed by the gas being ionised by multiple non-centrally located stars or star clusters. We try to isolate the effects of multiple non-centrally located stars on the temperature and ionisation structure of HII regions, via the construction of 3D photoionisation models using the 3D Monte Carlo photoionisation code MOCASSIN. We find that the true temperature fluctuations due to the stellar distribution (as opposed to the large-scale temperature gradients due to other gas properties) are small in all cases and not a significant cause of error in metallicity studies. Strong emission lines from HII regions are often used to study the metallicity of star-forming regions. We compare integrated emission line spectra from our models and quantify any systematic errors caused by the simplifying assumption of a single, ...

CERN Document Server

We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954eV for Mg. We report the geometric structures of the resulting ground-state configurations and a few low-lying isomers. The energetics and HOMO-LUMO gaps of the ground-state ...

International Nuclear Information System (INIS)

Maps transformed so as to have constant density of residential population were used to analyze the spatial distribution of disease in three specific areas. Each area had received recent attention because of suspected environmental pollution. The area adjacent to the Rocky Flats Facility (CO) was examined to identify any association between possible plutonium releases and increases in lung cancer or leukemia incidence. The industrial area of northern Contra Costa County (CA) was studied to explore a relationship between petrochemical industrial emissions and histologic-specific lung cancers. Finally, a suspected increase in the risk of congenital cardiac defects possibly related to pollution of the Santa Clara County (CA) water supply was investigated. No evidence of elevated risk of disease was found to be associated with either the Rocky Flats Facility or the polluted water of Santa Clara County. An increase in lung cancer, found by other investigators in earlier ...

Energy Technology Data Exchange (ETDEWEB)

The preliminary study of the {sup 129}I distribution has allowed to underline the limits of use of a Homalotecium sericeum type terrestrial moss as biological indicator. However, this preliminary study allowed all the same to give a spatial distribution of this radioelement around La Hague reprocessing plant (source term) that underlines the existence of four geographic areas in function of collected activities. The levels are generally under 99 Bq/kg dry. It is recommended to improve the knowledge that we can have of transfers and quantity of iodine 129 from the marine environment to the terrestrial environment, but also, the one that we can have of factors able to modify the spatial distribution of this radionuclide. (N.C.)

Energy Technology Data Exchange (ETDEWEB)

Removing noise from data is often the first step in data analysis. Denoising techniques should not only reduce the noise, but do so without blurring or changing the location of the edges. Many approaches have been proposed to accomplish this; in this paper, they focus on one such approach, namely the use of non-linear diffusion operators. This approach has been studied extensively from a theoretical viewpoint ever since the 1987 work of Perona and Malik showed that non-linear filters outperformed the more traditional linear Canny edge detector. They complement this theoretical work by investigating the performance of several isotropic diffusion operators on test images from scientific domains. They explore the effects of various parameters such as the choice of diffusivity function, explicit and implicit methods for the discretization of the PDE, and approaches for the spatial discretization of the non-linear operator etc. They also compare these schemes with ...

Science.gov (United States)

Heterogeneous gasless reactive systems, including high-energy density metal-nonmetal compositions, have seen increasing study due to their various applications. However, owing to their high reaction temperature, short reaction time, and small scale of heterogeneity, investigation of their reaction mechanisms and kinetics is very difficult. In this study, microstructural changes and the kinetics of product layer growth in the W-Si system was investigated using a high-speed x-ray phase-contrast imaging technique. Using the Advanced Photon Source of Argonne National Laboratory, this method allowed direct imaging of irreversible reactions in the W-Si reactive system at frame rates up to 36 000 frames per second with 4 {mu}s exposure and spatial resolution of 10 {mu}m. Details of the Si melt and reactions between W and Si, that are unable to be viewed with visible-light imaging, were revealed. These include processes such as the initiation of nucleated melting and other ...