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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.

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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.

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.

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

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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 {ital 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} {ital 1998 American Institute of Physics.}

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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 ...

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

International Nuclear Information System (INIS)

We studied the influence of alloying on the structural and electronic properties of the unrelaxed and relaxed Si_1_-_yC_y random alloys by means of ab initio theoretical calculations using two methods: (i) a supercell approach in connection with the plane-wave pseudopotential method; (ii) the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The first method is used to obtain the relaxed atomic structure. The relaxed atomic positions obtained by pseudopotential calculations were used to calculate the band structure via the second method. The local density approximation was used for the exchange and correlation energy density functional. We investigated the lattice parameters and band gap energies. We found that a quite smaller gap appears in the neighborhood of y=0.03125 concentration of C atoms. The band gap shows a large anomalous bowing and is strongly composition dependent. The electron densities of states for the ...

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We demonstrate tuning of Schottky energy barriers in organic electronic devices by utilizing chemically tailored electrodes. The Schottky energy barrier of Ag on poly[2-methoxy], 5-(2{prime}-ethyl-hexyloxy)- 1,4-phenylene was tuned over a range of more than 1 eV by using self-assembled monolayers (SAM{close_quote}s) to attach oriented dipole layers to the Ag prior to device fabrication. Kelvin probe measurements were used to determine the effect of the SAM{close_quote}s on the Ag surface potential. {ital Ab} {ital initio} Hartree-Fock calculations of the molecular dipole moments successfully describe the surface potential changes. The chemically tailored electrodes were then incorporated in organic diode structures and changes in the metal/organic Schottky energy barriers were measured using an electroabsorption technique. These results demonstrate the use of self-assembled monolayers to control metal/organic interfacial electronic properties. They establish a ...

International Nuclear Information System (INIS)

Tripartite efflux systems are responsible for the export of toxins across both the inner and outer membranes of Gram negative bacteria. Previous work has indicated that EmrAB-TolC from Escherichia coli is such a tripartite system, comprised of EmrB an MFS transporter, EmrA, a membrane fusion protein and TolC, an outer membrane channel. The whole complex is predicted to form a continuous channel allowing direct export from the cytoplasm to the exterior of the cell. Little is known, however, about the interactions between the individual components of this system. Reconstitution of EmrA + EmrB resulted in co-elution of the two proteins from a gel filtration column indicating formation of the EmrAB complex. Electron microscopic single particle analysis of the reconstituted EmrAB complex revealed the presence of particles approximately 240 x 140 A, likely to correspond to two EmrAB dimers in a back-to-back ...

Czech Academy of Sciences Repository

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English 2004 [2 p.] Brazil Soares, SF Dire, Glaucio Abreu, Paulo Jesus,

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We present a formulation of ab initio electronic structure calculations in a finite magnetic field, which retains the simplicity and efficiency of techniques widely used in first principles molecular dynamics simulations, based on plane-wave basis sets and Fourier transforms. In addition we discuss results obtained with this method for the energy spectrum of interacting electrons in quantum wells, and for the electronic properties of dense fluid deuterium in a uniform magnetic field.

British Library Electronic Table of Contents (United Kingdom)

In order to achieve efficient d-lactic acid fermentation from a mixture of xylose and glucose, the xylose-assimilating xylAB operon from Lactobacillus pentosus (PXylAB) was introduced into an l-lactate dehydrogenase gene (ldhL1)-deficient Lactobacillus plantarum (?ldhL1-xpk1::tkt-?xpk2) strain in which the phosphoketolase 1 gene (xpk1) was replaced with the transketolase gene (tkt) from Lactococcus lactis, and the phosphoketolase 2 (xpk2) gene was deleted. Two copies of xylAB introduced into the genome significantly improved the xylose fermentation ability, raising it to the same level as that of ?ldhL1-xpk1::tkt-?xpk2 harboring a xylAB operon-expressing plasmid. Using the two-copy xylAB integrated strain, successful homo-d-lactic acid production was achieved from a mixture of 25?g/l xylos...

International Nuclear Information System (INIS)

We use the Generalized Quasi-Chemical Approach (GQCA) combined with ab initio ultrasoft pseudopotential calculations within density functional theory in order to obtain the structural and electronic properties of Al_xGa_yIn_1_-_x_-_yX (X=As, P or N) quaternary alloys in the zincblende structure. Results for the bond lengths show that their variations with composition are approximately linear and that they do not deviate much from the values of the corresponding binary compounds. For the variation of the band gaps, we obtain a bowing parameter b=0.26 eV for the (Ga_0_._4_7In_0_._5_3As)_z(Al_0_._4_8In_0_._5_2As)_1_-_z quaternary alloy lattice matched to InP, in very good agreement with experimental data. In the case of AlGaInN, a bowing parameter of 0.22 eV is obtained for zincblende AlGaInN lattice matched to GaN. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

British Library Electronic Table of Contents (United Kingdom)

Interactions between cationic dye-cationic surfactant and anionic dye-cationic surfactant systems were investigated in aqueous solutions using spectrophotometric method at 288.15, 298.15, 308.15 and 318.15K. C.I. Basic Red 9 (BR9) and C.I. Acid Blue 25 (AB25) were used as cationic and anionic dyes, respectively, and hexadecyltrimethylammonium bromide (HDTMABr) was selected as cationic surfactant in this study. Although there was an interaction between the AB25 and the HDTMABr molecules, an interaction between the BR9 and HDTMABr did not occur due to the electrostatic repulsion forces. Binding constants and partition coefficients between the micellar and the bulk water phases for the AB25-HDTMABr system were calculated from the changes in absorbance values and the critical micelle concentra...

CERN Document Server

We complete the effective potential calculation of the two-loop, top/bottom Yukawa corrections to the Higgs boson masses in the Minimal Supersymmetric Standard Model, by computing the O(at^2 + at*ab + ab^2) contributions for arbitrary values of the bottom Yukawa coupling. We also compute the corrections to the minimization conditions of the effective potential at the same perturbative order. Our results extend the existing O(at^2) calculation, and are relevant in regions of the parameter space corresponding to tan(beta) >> 1. We extend to the Yukawa corrections a convenient renormalization scheme, previously proposed for the O(ab*as) corrections, that avoids unphysically large threshold effects associated with the bottom mass and absorbs the bulk of the corrections into the one-loop expression. For large values of tan(beta), the new contributions can account for a variation of several GeV in the lightest Higgs boson ...

British Library Electronic Table of Contents (United Kingdom)

The main objective of this work was to investigate the biosorption performance of unmodified and Cetylpyridinium chloride (CPC)-modified biomass of Penicillium YW 01 for Acid Blue 25 (AB 25). Maximum biosorption capacity of AB 25 onto CPC-modified biosorbent was 118.48mgg^-^1 under phosphoric-phosphate buffer with initial dye concentration of 200mgL^-^1 at 30^oC. The biosorption pattern of AB 25 onto unmodified biosorbent in aqueous solution and phosphoric-phosphate buffer was well fitted with both Langmuir and Freundlich isotherm models. While the equilibrium data of CPC-modified biosorbent in aqueous solution and phosphoric-phosphate buffer failed to fit the Freundlich isotherm model, indicating the monolayer biosorption formed onto CPC-modified biosorbent. The values of initial biosorpt...

UK PubMed Central (United Kingdom)

Pathogenic strains of Vibrio cholerae are lysogens of the filamentous phage CTXφ, which carries the genes for cholera toxin (ctxAB). We found that the titers...Full Text Available

Science.gov (United States)

To study the effects of atmospheric species on the fatigue crack growth behavior of an a+B titanium

UK PubMed Central (United Kingdom)

Genetic algorithms (GA) were used to develop specific copper metal-ligand force field parameters for the MM3 force field, from a combination of crystallographic structures and ab initio...Full Text Available

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The authors calculated the stress-strain relation for elastomeric foam from an ab initio theory, which shows that the plateau and densification regions should be described by a hyperbola. The theory seems to agree reasonably well with experiment.

UK PubMed Central (United Kingdom)

The agglutination of human platelets by ristocetin and von Willebrand factor was inhibited by aggregated immunoglobulin (Ig)G and by Fc fragments of IgG, but not by Fab, F(ab′)₂ or...Full Text Available

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

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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. ...

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Lung cancer staging according to the TNM system is based on morphological assessment of the primary cancer, lymph nodes and metastases. All aspects of this important oncological classification are measurable with MRI. Pulmonary nodules can be detected at the clinically relevant size of 4-5 mm in diameter. The extent of mediastinal, hilar and supraclavicular lymph node affection can be assessed at the same time. The predominant metastatic spread to the adrenal glands and spine can be detected in coronal orientation during dedicated MRI of the lungs. Search focused whole body MRI completes the staging. Various additional MR imaging techniques provide further functional and clinically relevant information during a single examination. In the oncological context the most important techniques are imaging of perfusion and tumor motion. Functional MRI of the lungs complements the pure staging and improves surgical approaches and radiotherapy planning. (orig.) [German] Das ...

International Nuclear Information System (INIS)

Three new rare earth metal-rich compounds, Gd_6MTe_2 (M=Co, Ni) and Er_6RuTe_2, were synthesized in direct reactions between the R, R_3M, and R_2Te_3 (R=Gd, Er, M=Co, Ni, Ru). These materials all adopt the same Zr_6CoAl_2 structure type with space group P6-bar 2m (No. 189, Z=1). Single crystal structures of Gd_6CoTe_2 and Er_6RuTe_2 were determined and lattice parameters are a=b=8.3799(5), c=3.9801(4) A, and a=b=8.1473(5) A, c=3.9962(4) A, respectively. Gd_6NiTe_2 was characterized by X-ray powder diffraction; lattice parameters are a=b=8.412(2), c=3.9577(9) A. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.

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In this study, SnO{sub 2} thin films have been grown using spray pyrolysis technique on glass substrates under a substrate temperature (T{sub s} = 440 {sup o}C). The precursors were methanol CH{sub 4}O 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({lambda}) and reflectance R({lambda}) spectra inside 250-1800 nm domain. Conjoint optical and thermal properties were deduced using the Amlouk-Boubaker Opto-Thermal Expansivity {psi}{sub AB}. The obtained value: {psi}{sub AB} {approx} 23.4 m{sup 3} s{sup -1} helped situating the performance of the as-grown SnO{sub 2} compound among most known PV-T oxides like ZnO and TiO{sub 2}.

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The diagnosis of dialysis-related amyloid (AB-amyloid) has been based usually on clinical and radiological criteria. Following the discovery that beta 2-microglobulin was the major protein of this amyloid, we isolated and radiolabelled uremic plasma beta 2-microglobulin. After intravenous injection, gamma-camera images of selected joint areas were obtained from 42 patients who were on regular hemodialysis therapy. Positive scans involving the shoulder, hip, knee and carpal regions were found in 13 of 14 patients treated for more than 10 years and 10 of 16 patients treated for 5 to 10 years. Patients treated for less time had negative scans. Specificity was indicated by negative scans in non-amyloid inflammatory lesions in control hemodialysis patients. Up to 48-fold tracer enrichment was detected in excised AB-amyloid containing tissue as compared to amyloid-free tissue. These findings suggest that circulating radiolabelled beta 2-microglobulin ...

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Summary The objective of this study was to examine the role of root carbohydrate levels and metabolism in the waterlogging tolerance of contrasting mung bean genotypes. An experiment was conducted with two cultivated mung bean (Vigna radiata) genotypes viz., T44 (tolerant) and Pusa Baisakhi (PB) (susceptible), and a wild Vigna species Vigna luteola under pot-culture to study the physiological and molecular mechanism of waterlogging tolerance. Waterlogging resulted in decrease in relative water content (RWC), membrane stability index (MSI) in root and leaf tissues, and chlorophyll (Chl) content in leaves, while the Chl a/b ratio increased. Waterlogging-induced decline in RWC, MSI, Chl and increase in Chl a/b ratio was greater in PB than V. luteola and T44. Waterlogging caused decline in tot...

International Nuclear Information System (INIS)

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

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Using the peptide hormone glucagon and Ab(1-40) as model systems, we have sought to elucidate the mechanisms by which fibrils grow and multiply. We here present real-time observations of growing fibrils at a single-fibril level. Growing from preformed seeds, glucagon fibrils were able to generate new fibril ends by continuously branching into new fibrils. To our knowledge, this is the first time amyloid fibril branching has been observed in real-time. Glucagon fibrils formed by branching always grew in the forward direction of the parent fibril with a preferred angle of 35-40degree. Furthermore, branching never occurred at the tip of the parent fibril. In contrast, in a previous study by some of us, Ab(1-40) fibrils grew exclusively by elongation of preformed seeds. Fibrillation kinetics i...

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.

Science.gov (United States)

The zinc-blende (ZB) and wurtzite (W) structures are the most common crystal forms of binary octet semiconductors. In this work we have developed a simple scaling that systematizes the {ital T}=0 energy difference {Delta}{ital E}{sub W{minus}ZB} between W and ZB for all simple binary semiconductors. We have first calculated the energy difference {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) for AlN, GaN, InN, AlP, AlAs, GaP, GaAs, ZnS, ZnSe, ZnTe, CdS, C, and Si using a numerically precise implementation of the first-principles local-density formalism (LDF), including structural relaxations. We then find a {ital linear} scaling between {Delta}{ital E}{sub W{minus}ZB}{sup LDF}({ital AB}) and an atomistic orbital-radii coordinate {ital {tilde R}}({ital A},{ital B}) that depends only on the properties of the free atoms {ital A} and {ital B} making up the binary compound {ital AB}. Unlike classical structural coordinates ...

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.).

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

Papers presented at a meeting on indoor and outdoor climates on sites polluted with volatile organic chemicals. The papers deal with the subject of evaporation of organic chemicals on the polluted sites in relation to the influence on indoor and outdoor climates. Themes dealt with are diffusion through soils and transport of pollutants from the soil into buildings. (AB).

UK PubMed Central (United Kingdom)

Using an anti-receptor mAb that blocks the attachment of echovirus 7 and related viruses (echoviruses 13, 21, 29 and 33), we have isolated a complementary DNA clone that encodes the human decay-accelerating...Full Text Available

UK PubMed Central (United Kingdom)

This paper proposes a new approach based on missing value pattern discovery for classifying incomplete data. This approach is particularly designed for classification of datasets with a small...Full Text Available

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Science.gov (United States)

... MAGMA © : A LIQUID SOFTWARE APPROACH TO FAULT TOLERANCE, COMPUTER NETWORK SECURITY, AND SURVIVABLE NETWORKING ...

International Nuclear Information System (INIS)

The structural parameters of various Haegg phases (H or M_n_+_1AX_n phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti_0_._5Nb_0_._5)_2AlC, the most salient result is that the basal planes are corrugated, which could explain the solid solution scattering observed in this H ...

CERN Document Server

We improve the steady-state ab initio laser theory (SALT) of Tureci et al. by expressing its fundamental self-consistent equation in a basis set of threshold constant flux states that contains the exact threshold lasing mode. For cavities with non-uniform index and/or non-uniform gain, the new basis set allows the steady-state lasing properties to be computed with much greater efficiency. This formulation of the SALT can be solved in the single-pole approximation, which gives the intensities and thresholds, including the effects of nonlinear hole-burning interactions to all orders, with negligible computational effort. The approximation yields a number of analytic predictions, including a "gain-clamping" transition at which strong modal interactions suppress all higher modes. We show that the single-pole approximation agrees well with exact SALT calculations, particularly for high-Q cavities. Within this range of validity, it provides an extraordinarily efficient ...

CERN Document Server

Let A and B be two affinely generating sets of (Z_2)^n. As usual, we denote their Minkowski sum by A+B. How small can A+B be, given the cardinalities of A and B? We give a fairly tight answer to this question. Our bound is attained when both A and B are unions of cosets of a certain subgroup of (Z_2)^n. These cosets are arranged as Hamming balls, the smaller of which has radius 1. By similar methods, we reprove the Freiman-Ruzsa theorem in (Z_2)^n, with an optimal upper bound. Denote by F(K) the maximal spanning constant || / |A|, over all subsets A of (Z_2)^n with doubling constant |A+A| / |A| < K. We explicitly calculate F(K), and in particular show that 4^K / 4K < F(K) (1+o(1)) < 4^K / 2K. This improves the estimate F(K) = poly(K) 4^K, found recently by Green and Tao and by Konyagin.

British Library Electronic Table of Contents (United Kingdom)

Previous research utilizing the AcB/BcA recombinant congenic strains (RCS) of mice mapped provisional quantitative trait loci (QTLs) for the psychostimulant effects of nicotine to multiple regions on chromosomes 7, 11, 12, 14, 16, and 17. The current study was designed to confirm these QTLs in an A/J (A)??C57Bl/6J (B6) F2 cross and a panel of B6.A chromosome substitution strains (CSS). The panel of B6.A CSS consists of 21 strains, each carrying a different A/J chromosome on a B6 background. The A??B6 F2, CSS, A, and B6 mice were tested for sensitivity to the effects of nicotine on locomotor activity using a computerized open-field apparatus. In A??B6 F2 mice two QTLs were identified which confirm those previously observed in the AcB/BcA RCS. Significant differences in the expression of ...

Science.gov (United States)

t5I gU9S y`xmRv A'b9 (RW$ F]>H ?ts6@ Snnl yHl$- #|t_C 6G8@ u,H8 3($ds #~^iy { aN2s VFR@1 zs|9n] %pyNv Z{+; !C 1cs= ||8_ 6r$0j n9X 8n`@ ,FH8S hg3` TBq*p UP09 ...

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.

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We present results from ab-initio electronic-structure calculations of mechanical properties of the rhombohedral phase of vanadium reported in recent experiments (R Ia), and other predicted high-pressure phases (R Ib and bcc), focusing on properties relevant to dynamic experiments. We find that of the three transitions the largest volume collapse (1.3%) is for the R Ia to R Ib transition. Calculations of the single crystal and polycrystal elastic constants reveal a remarkably small discontinuity across the phase transitions even at zero temperature where the transitions are first order.

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Use of hydrogen absorbing alloys in various practical applications is always connected with the problem of production of starting alloys. The transition from laboratory samples to small-scale production involves the change of furnace and its operation mode and this has an effect on the preparation method of mixture of starting metal. Also, for some applications such as thermosorption compressors the exact values of thermodynamical parameters of reaction are needed. In the present work we present the results of investigation of series Laves phase hydrogen-absorbing alloys which can be promising in for use in different devices. 1 ref.

International Nuclear Information System (INIS)

Tumor-targeted monoclonal antibodies (mAb) might be useful as diagnostic or therapeutic agents when linked to cytotoxic or imaging reagents. Our group is working to test this hypothesis by linking cytocidal and image-producing isotopes to mAb and testing the utility of the radioimmunoconjugates formed in animal model systems. Radioiodines were first employed for these purposes,but unfavorable nuclear properties (half-lives, #gamma#-ray and #beta#-particle energies) and chemical reactivity (deiodination in vivo) limit their utility. Labeling immunoproteins with metallic radionuclides offers more versatility in that the selection of potentially useful radiometals spans the periodic table.Of the metallic radionuclides with physical properties most suited for use with mAb in nuclear medicine, few are more available or desirable than those of bismuth ("2"1"2Bi) and lead ("2"0"3Pb, "2"1"2Pb), as listed in Table 1. "2"1"2Bi or ...

UK PubMed Central (United Kingdom)

BackgroundThe endoscopic endonasal transsphenoidal approach (EETA) to the pituitary is performed by ear, nose, and throat (ENT) surgeons in collaboration with neurosurgeons but also...Full Text Available

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

UK PubMed Central (United Kingdom)

Chinese and Chumash traditional medical approaches are similar in terms of disease causation, use of acupuncture or healing touch, plants, spiritual and philosophical approaches. This article provides...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

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.

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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.

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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.

International Nuclear Information System (INIS)

The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)

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Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.

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The emission of air pollutants from road vehicles is the most significant source of air pollution in towns. The chemical composition of these pollutive substances is dependent on the fuel, the type of vehicle and the character of the traffic system. The pollution concentration was measured, (nitrogen oxides and carbon monoxide) in relation to each type of vehicle, in four streets in the Copenhagen area. The system of measurement used was the ''Operational Street Pollution Model'' (OSPM). Results are presented in the form of tables and charts. (AB) 11 refs.

International Nuclear Information System (INIS)

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and weakly bound alkali and noble-metal dimers, ...

Science.gov (United States)

PMID:21305303

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Energy Technology Data Exchange (ETDEWEB)

Short communication.

Science.gov (United States)

Elastodynamic approach to measuring stress-strain relationship of uniaxially stressed wire, and

Science.gov (United States)

PMID:21732206

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The optimization of ethylene furnace operations using cfd-based simulations has been addressed. The optimization problems have been cast into various formulations: the Multidisciplinary feasible (MDF) approach, the All-At-Once (AAO) approach and the Individual discipline feasible (IDF) approach. These approaches mainly differ in their handling of the state equations as constraints, and hence some of the formulations place restrictions on the methods used to solve the state equations.

Norwegian Open Research Archives (NORA)

Full Text Available

Science.gov (United States)

... develops. An alternative approach is the use of non-absorbable antibiot- ics such as polymyxin, neomycin, and bacitracin. ...

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, ...

International Nuclear Information System (INIS)

Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and 3.7 kcal/mol, respectively. To investigate the properties of bulk materials, the ...

Energy Technology Data Exchange (ETDEWEB)

Calls for containers to transport compressed natural gas, and a ship or barge to house some 200 employees in the Terra Nova offshore oilfield while the oil field's floating production, storage and offloading (FPSO) system is undergoing a major overhaul, are attracting attention on Canada's east coast offshore oilpatch. The FPSO is located offshore, 350 km east of St. John's, Newfoundland. Petro-Canada, operators of the FPSO anticipate that by having all required personnel nearby, the total shutdown time for the overhaul could be minimized. The CNG container was designed by Trans Ocean Gas Inc. in response to an invitation by Husky Oil and Petro-Canada, the White Rose field partners. Trans Ocean Gas strongly believes that CNG will become the technology of choice for getting natural gas ashore and to markets from stranded hydrocarbon pools in Atlantic Canada and the rest of the world where pipeline systems would be too expensive to build and maintain. Trans ...

International Nuclear Information System (INIS)

Ab initio calculations of the electronic structure were performed for the silver palladium oxide, Ag_2PdO_2, by the full potential mixed linearized augmented plane wave and augmented plane wave plus local orbitals method (mixed LAPW/APW+lo) within the density functional theory and using the generalized gradient approximation (GGA96, Phys. Rev. Lett. 77 (1996) 3865) for the exchange-correlation potential. The lattice parameters were calculated from the ground-state total energy versus volume curve, and are in good agreement with the available experimental results. Our calculations of band structure predicted that the compound Ag_2PdO_2 has indirect band gap, and the Pd 4d states strongly hybridize with the O 2p states all over the valence bands and conduction bands. The valence bands are composed mainly of Ag, Pd 4d states and O 2p states, while the conduction bands consist mainly of the Pd 4d states and O 2p states. In addition, focusing on the calculation ...

UK PubMed Central (United Kingdom)

The subtemporal approach with division of the posterior communicating artery (PcomA) is described for treating aneurysms of the basilar tip. When the ipsilateral posterior cerebral artery (PCA) interferes...Full Text Available

Wastenet

...Seasonal streamflow forecast: a GCM multi-model downscaling approach on Environmental Expert Bulletins Environmental Expert RSS Environmental Expert facebook Environmental Expert twitter Environmental Expert LinkedIn ...

UK PubMed Central (United Kingdom)

The main aim of the present study was to evaluate potential of ternary complexation (comprising of drug, cyclodextrin and polymer) as an approach for taste masking. For this purpose famotidine with...Full Text Available

UK PubMed Central (United Kingdom)

We report on the presentation and management of a patient with herniation of the rectum following a coccygectomy. We used an abdominal approach and careful pelvic dissection to define the defect in...Full Text Available

UK PubMed Central (United Kingdom)

We investigated the pathophysiological mechanism by proteomic approach as a possible tool to detect the marker proteins to develop lower urinary tract symptoms following bladder outlet obstruction (BOO)....Full Text Available

UK PubMed Central (United Kingdom)

Bisretinoid lipofuscin compounds that accumulate in retinal pigment epithelial (RPE) cells are implicated in the pathogenesis of some forms of macular degeneration. In the development of approaches...Full Text Available

UK PubMed Central (United Kingdom)

Traditional approaches to the study of hormones and cognition have been primarily observational or correlational in nature. Because this work does not permit causal relationships to be identified,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This paper presents a decision approach, and associated computer software tools, for prioritizing and selecting among technology development activities. The approach elicits and then summarizes technology development preferences from stakeholders, and then integrates preferences into a set of funding recommendations. By formalizing the technology review process, the decision approach builds consensus and clarifies the basis for final budget decisions. The software development was conducted jointly by Pacific Northwest Laboratory and Decisions Science Associates, Incorporated. The Underground Storage Tank Integrated Demonstration funded the task; however, the approach should also be valuable to the US Department of Energy Office of Technology Development, the Office of Waste Management, and the Office of Environmental Restoration.

Science.gov (United States)

... from theory to practice will be significantly reduced while intrinsically revolutionizing the approach to engineering network security architectures. ...

Science.gov (United States)

... 4-4 UXO disposal operations ... testing of sequencing batch reactor treatment of ... and lead toward the anode compartment ..... ...

KoreaScience (Korea)

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Medline Plus

... of the Taperloc Microplasty stem and E-poly antioxidant-infused technology during a hip replacement through the ...

Science.gov (United States)

... For example, contrast solving the Missionaries and Cannibals problem with the more ill-defined reasoning which led to inventing it. ...

Science.gov (United States)

... UUV Unmanned Underwater Vehicle ... 26- VISION-ASSISTED ROBOT TASKS ... Specifically, the development of autonomous robots depends on ...

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The computer vision approach to image analysis is discussed from two aspects. First, this approach is constrasted to the pattern recognition approach. Second, how external knowledge and information and models from other fields of science and engineering can be used for image and scene analysis is discussed. In particular, the connections between computer vision and computer graphics are pointed out.

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This proceedings CD ROM contains 127 papers on developing and evaluating engineering approaches to wetlands and river restoration. The latest engineering developments are discussed, providing valuable insights to successful approaches for river restoration, wetlands restoration, watershed management, and constructed wetlands for stormwater and wastewater treatment. Potential solutions to a wide variety of ecosystem concerns in urban, suburban, and coastal environments are presented.

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Often oil/gas and other hydrocarbons discovered and produced offshore are transported to onshore facilities via submarine pipelines. The route of such pipelines traverses through coastal/shore approach regions. For a rational/economic design, safe installation and subsequent operation it is of utmost importance to review, evaluate and finalize various environmental hazard such as winds, waves, currents, seabed topography, seabed and sub-bottom soils, seabed erosion and soil accretion. This paper addresses the above described environmental hazards, their assessment and techniques to prepare design parameters which must be used for stability analysis, installation methods, long term operation and maintenance for the shore approaches. Additionally, various proven pipeline installation and stabilization techniques for the shore approach region are detailed. As case histories, three approaches installed in ...

Energy Technology Data Exchange (ETDEWEB)

We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that destructive interference ...

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 ...

International Nuclear Information System (INIS)

The possibility of Pt-Cr surface alloys formation on Pt(0 0 1) was investigated and their magnetism was calculated by the full-potential linearized augmented plane wave (FLAPW) method with eight different atomic configurations. The most stable structure was calculated to be the Pt-segregated L1_2 ferromagnetic surface alloy. A_3B types (L1_2 or D0_2_2) were more stable compared to AB types (L1_0). It implies that the A_3B type surface alloys may be formed when depositing a monolayer of Cr on Pt(0 0 1). It was found from the total energy calculations that there exists a strong tendency of the Pt segregation. The segregation further stabilizes the surface alloy significantly. The work function of the most stable surface alloy was calculated to be 6.02 eV and the magnetic moment of the surface Cr was much enhanced to 3.3 #mu# _B. It is a quite interesting finding that the coupling between Cr and Pt atoms on the surface plane is ferromagnetic in the Pt-segregated L1_2 ...

International Nuclear Information System (INIS)

We report ab initio calculations of positron wave functions in the high-T/sub c/ superconductors YBa_2Cu_3O_7, Bi_2Sr_2CaCu_2O_8, and Tl_2Ba_2CaCu_2O_8 using the general potential linearized augmented plane-wave method. The calculated positron wave functions are fairly insensitive to whether or not electron-positron correlation is included in the calculation for YBa_2Cu_3O_7 and Tl_2Ba_2CaCu_2O_8, but the calculated positron density is quite sensitive to correlation in Bi_2Sr_2CaCu_2O_8. While the positron wave function samples primarily the chain region in YBa_2Cu_3O_7, the results indicate that positrons should be good probes of the Cu-O layer-derived electronic states near the Fermi energy in Tl_2Ba_2CaCu_2O_8 since a large overlap with these states is predicted.

International Nuclear Information System (INIS)

We investigate some aspects of the radiation damage mechanisms in biomolecules, focusing on the modelling of resonant fragmentation caused by the attachment of low-energy electrons (LEEs) initially ejected by biological tissues when exposed to ionizing radiation. Scattering equations are formulated within a symmetry-adapted, single-center expansion of both continuum and bound electrons, and the interaction forces are obtained from a combination of ab initio calculations and a nonempirical model of exchange and correlation effects developed in our group. We present total elastic scattering cross-sections and resonance features obtained for the equilibrium geometries of glycine, alanine, proline and valine. Our results at those geometries of the target molecules are briefly shown to qualitatively explain some of the fragmentation patterns obtained in experiments. We further carry out a one-dimensional (1D) modeling for the dynamics of intramolecular energy transfers ...

DEFF Research Database (Denmark)

It is well established from experiments in premixed, laminar flames, jet-stirred reactors, flow reactors, and batch reactors that SO2 acts to catalyze hydrogen atom removal at stoichiometric and reducing conditions. However, the commonly accepted mechanism for radical removal, SO2 + H(+M) reversible arrow HOSO(+M), HOSO + H/OH reversible arrow SO2 + H-2/H2O, has been challenged by recent theoretical and experimental results. Based on ab initio calculations for key reactions, we update the kinetic model for this chemistry and re-examine the mechanism of fuel/SO2 interactions. We find that the interaction of SO, with the radical pool is more complex than previously assumed, involving HOSO and SO, as well as, at high temperatures also HSO, SH, and S. The revised mechanism with a high rate constant for H + SO2 recombination and with SO + H2O, rather than SO2 + H-2, as major products of the HOSO + H reaction is in agreement with a range of experimental results from ...

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)

Light increased the rate of LHCP synthesis as measured by pulse-labeling with /sup 35/SO/sub 4/ and immunoprecipitation with antibody specific for Euglena LHCP. In addition to the mature LHCP, 26,000 daltons, the LHCP specific antibody immunoprecipitated large amounts of several proteins having molecular weights of approximately 100,000. On immunoblots of immunoprecipitated unlabeled protein, the antibody only detected the mature LHCP suggesting that the high molecular weight proteins are not LHCP aggregates produced during immunoprecipitation. After a 10 min pulse with /sup 35/SO/sub 4/, the 100,000 dalton proteins constituted over 80% of the immunoprecipitated material. In a subsequent chase, the radioactivity in the 100,000 dalton proteins decreased and the radioactivity in the mature LHCP increased suggesting a precursor-product relationship. After a 35 minute chase, the mature LHCP was the major radioactive protein immunoprecipitated. Peptide mapping and in vitro translation are ...

British Library Electronic Table of Contents (United Kingdom)

Forty synthetic food colors were determined in drinks and candies by reversed-phase high-performance liquid chromatography with photodiode array detection. The following food colors were analyzed within 19min using a short analytical column (50mmx4.6mm i.d., 1.8mm) at 50degreeC with gradient elution: Ponceau 6R, Tartrazine, Fast yellow AB, Amaranth, Indigotine, Naphthol yellow S, Chrysoine, Ponceau 4R, Sunset yellow FCF, Red 10B, Orange G, Acid violet 7, Brilliant black PN, Allura red AC, Yellow 2G, Red 2G, Uranine, Fast red E, Green S, Ponceau 2R, Azorubine, Orange I, Quinoline yellow, Martius yellow, Ponceau SX, Ponceau 3R, Fast green FCF, Eosine, Brilliant blue FCF, Orange II, Orange RN, Acid blue 1, Erythrosine, Amido black 10B, Acid red 52, Patent blue V, Acid green 9, Phloxine B, Ben...

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)

Doping of manganese (Mn3+/Mn4+) into the Aurivillius phase Pb1-xBi4+xTi4-xMnxO15 was carried out using the molten salt technique for various Mn concentrations (x=0, 0.2, 0.4, 0.6, 0.8, and 1). Single phase samples could be obtained in the composition range with x up to 0.6 as confirmed by X-ray and neutron diffraction analysis. Dielectric measurements show a peak at 801, 803, 813 and 850 K for samples with x=0, 0.2, 0.4, and 0.6, respectively, related to the ferroelectric transition temperature (Tc). The main contribution of the in-plane polarization for x?0.2 which was calculated from the atomic positions obtained by the structure analysis is the dipole moment in the Ti(1)O6 layer; however, for x?0.4 the polarization originates from the dipole moment in the Ti(2)O6 layer. Mn doping in the Pb1-xBi4+xTi4-xMnxO15 does not show any long range magnetic ordering. -- Graphical abstract: The dipole moment of TiO6 dependence of x in Pb1-xBi4+xTi4-xMnxO15 (0?x?0.6): (a) along a-axis and (b) on ...

Energy Technology Data Exchange (ETDEWEB)

Role-limiting approaches support knowledge acquisition (KA) by centering knowledge base construction on common types of tasks or domain-independent problem-solving strategies. Within a particular problem-solving strategy, domain-dependent knowledge plays specific roles. A KA tool then helps a user to fill these roles. Although role-limiting approaches are useful for guiding KA, they are limited because they only support users in filling knowledge roles that have been built in by the designers of the KA system. EXPECT takes a different approach to KA by representing problem-solving knowledge explicitly, and deriving from the current knowledge base the knowledge gaps that must be resolved by the user during KA. This paper contrasts role-limiting approaches and EXPECT`s approach, using the propose-and-revise strategy as an example. EXPECT not only supports users in filling knowledge ...

CERN Document Server

This paper describes a study of comparison of global and one-dimensional local optimization methods to operating system scheduler tuning. The operating system scheduler we use is the Linux 2.6.23 Completely Fair Scheduler (CFS) running in simulator (LinSched). We have ported the Hackbench scheduler benchmark to this simulator and use this as the workload. The global optimization approach we use is Particle Swarm Optimization (PSO). We make use of Response Surface Methodology (RSM) to specify optimal parameters for our PSO implementation. The one-dimensional local optimization approach we use is the Golden Section method. In order to use this approach, we convert the scheduler tuning problem from one involving setting of three parameters to one involving the manipulation of one parameter. Our results show that the global optimization approach yields better response but the one- dimensional optimization ...

International Nuclear Information System (INIS)

Drell-Yan pair production is investigated. We reexamine a model where the quark momentum fraction is defined as the ratio of the corresponding light-cone components of the quark and parent nucleon in a naive parton-model approach. It is shown that the results differ from the standard parton model. This is due to unphysical solutions for the momentum fractions within the naive approach which are not present in the standard parton model. In a calculation employing full quark kinematics, i.e., including primordial quark transverse momentum, these solutions also appear. A prescription is given to handle these solutions in order to avoid incorrect results. The impact of these solutions in the full kinematical approach is demonstrated and compared to the modified result.

CERN Document Server

Heavy quark production in $\\gamma\\gamma$ collisions is analyzed within the approach to hard collisions of photons recently proposed by the author. In this approach evaluating the cross section $\\sigma(\\gamma\\gamma\\to Q\\bar{Q})$ in the ``next-to-leading order of QCD'' requires the inclusion of direct photon contributions up to the order $\\alpha^2\\alpha_s^2$, whereas in the standard approach direct photon terms only up to the order $\\alpha^2\\alpha_s$ are taken into account. Phenomenological consequences of this difference are discussed.

DEFF Research Database (Denmark)

A simple closed-form equation to calculate the envelope correlation between any two receiver or transmitter antennas in a multi-input multi-output (MIMO) system of an arbitrary number of elements is derived. The equation uses the scattering parameters obtained at the antenna feed point to calculate the envelope correlation coefficient. This approach has the advantage that it does not require knowledge of the antenna radiation pattern. Numerical data that include conductor and permittivity loss are shown to validate the approach. Using the scattering parameters for calculating the envelope correlation is less laborious and relatively cheaper, as compared to the radiation pattern approach.

International Nuclear Information System (INIS)

An integrated approach to the modelling of hydrogen assisted failure in 316L steel is presented. The approach includes experimental, fractographic, numerical and theoretical analysis of the phenomenon. The physical adequacy of the mechanical models of hydrogen embrittlement (notch extension model and notch cracking model) is discussed by comparing the virtual damage depth (theoretical) predicted by the models with the embrittled zone (microphysical) measured in the fractographic analysis by scanning electron microscopy. In addition, a numerical modelling of hydrogen diffusion is performed, concluding that bulk diffusion is not important in hydrogen embrittlement of 316L steel, so that hydrogen transport accelerated by the microdamage itself should be taken into account. (orig.)

British Library Electronic Table of Contents (United Kingdom)

In modern quality engineering, dual response surface methodology is a powerful tool to model an industrial process by using both the mean and the standard deviation of the measurements as the responses. The least squares method in regression is often used to estimate the coefficients in the mean and standard deviation models, and various decision criteria are proposed by researchers to find the optimal conditions. Based on the inherent hierarchical structure of the dual response problems, we propose a Bayesian hierarchical approach to model dual response surfaces. Such an approach is compared with two frequentist least squares methods by using two real data sets and simulated data.

Science.gov (United States)

... The acousto-optic device have a 30 MHz 1 ... coherent systems including compact non-coherent optical ... a relatively simple phase switching approach. ...

International Nuclear Information System (INIS)

The author discusses the formulation and application of the theory of quasi-catastrophes for the behaviour and properties of tachyons. This approach assists in the interpretation of experiments where tachyons may be involved. (W.D.L.).

British Library Electronic Table of Contents (United Kingdom)

Purpose - The purpose of this paper is to explore the functionality of multistage programming approach on network supply chain structure. Design/methodology/approach - The general supply chain structure is considered and the supply chain planning model is developed using a two stage programming approach. The same model is extended to cover the applicability and advantages of a multi-stage programming approach. Findings - A multi-period supply chain model for new product launches under uncertain demand for supply chain network structure has been developed. The model allows simultaneous determination of optimum procurement quantity, production quantity across the different plants, transportation routes and the outsourcing cost in case of shortages. The proposed multi-stage model is compared ...

British Library Electronic Table of Contents (United Kingdom)

A protocol adapter ideally suited to enable enterprises to gradually transition from SOAP Web Services to RESTful HTTP Web Services without impacting existing clients is presented in this paper. The inherent advantage of such a transition is the visibility of RESTful HTTP messages to Web intermediaries such as caches. In contrast, SOAP messages are opaque, which disables Web intermediaries. While both approaches can use HyperText Transfer Protocol (HTTP) for message transfer, the paradigms contrast sharply. SOAP uses an interface specific approach whereas RESTful HTTP uses a Uniform Interface approach. SOAP marks up its payload with eXtensible Markup Language (XML) whereas in certain situations RESTful HTTP requires no XML. We present the disadvantages of the SOAP approach and outline how ...

Science.gov (United States)

... kinematic model for the robots and designed ... theoretic approach for modeling mobile robot teamn formations". ... "UUV teams, control from a biological ...

UK PubMed Central (United Kingdom)

The Python programming language is steadily increasing in popularity as the language of choice for scientific computing. The ability of this scripting environment to access a huge code base in various...Full Text Available

Science.gov (United States)

... And those who study cognition select problems (eg, tower of Hanoi, missionaries and cannibals, logic theorems) with minimal perceptual and motor ...

UK PubMed Central (United Kingdom)

The identification of individuals at risk for Alzheimer's disease (AD) is essential for the timely administration of treatment approaches aimed at slowing the onset or progression of the disease....Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This paper presents a set of heuristics useful for optimal design of heat-exchange networks and integrated heat and power systems. These heuristics consolidate other approaches reported in the literature in a formalism useful for design purposes.

CERN Document Server

We present a unified self-consistent review of the approach to spherical harmonics developed in the second half of the 19th century by Maxwell and by Thomson and Tait. We remark how this spherical coordinate-free approach straightforwardly leads to physically very important results of the theory of solid and surface harmonics which become rather tedious to work out when using spherical coordinates and associated Legendre functions. These results include, among others, the addition theorem, spherical wave expansions, the construction of the standard set of normalized spherical harmonics, Y_lm - together with their rotational properties-, and recursion relations. We provide new proofs for Maxwell's theorem, the addition theorem and Hobson's theorem, respectively, using in the latter some elementary notions of the symbolic techniques proper of the theory of invariants. Also, we give an approach based on compact vector methods ...

British Library Electronic Table of Contents (United Kingdom)

A new method of the synthesis of high molecular polybutylene terephthalate (PBT) is developed with the use of Irganox 1010, tris(nonylphenyl) phosphite and hypophosphite as stabilizers and boron nitride or boron oxide as a catalyst is proposed.

Energy Technology Data Exchange (ETDEWEB)

This report describes progress during the first year of a three-year project. The objective of the research is to examine new design approaches for achieving very high conversion efficiencies. The program is divided into two areas. The first centers on exploring new thin-film approaches specifically designed for III-V semiconductors. The second area centers on exploring design approaches for achieving high conversion efficiencies without requiring extremely high quality material. Research activities consisted of an experimental study of minority carrier recombination in n-type, metal-organic chemical vapor deposition (MOCVD)-deposited GaAs, an assessment of the minority carrier lifetimes in n-GaAs grown by molecular beam epitaxy, and developing a high-efficiency cell fabrication process.

Energy Technology Data Exchange (ETDEWEB)

This paper introduces a novel three-phase power flow approach for unbalanced radial distribution systems. The proposed approach is developed based on the loop frame of reference, rather than the traditional bus frame of reference. On the basis of the loop frame of reference, a simple direct iterative method in impedance form is applied. Basic graph theory and injection current technique are also applied in the proposed approach. The clear theoretical foundation and the simple topology of the radial distribution network make the proposed method efficient and reliable. To demonstrate the better convergence performance and the efficiency of the proposed approach, four three-phase IEEE test feeders are used for comparisons. The test results show that the proposed method has robust convergence characteristics and high performance, especially for large-scale radial distribution systems. (author)

UK PubMed Central (United Kingdom)

Nativist and constructivist approaches to the study of development share a common emphasis on characterizing beginning and end states in development. This focus has highlighted the question...Full Text Available

UK PubMed Central (United Kingdom)

Over the past decade, dramatic increases in computational power and improvement in image analysis algorithms have allowed the development of powerful computer-assisted analytical approaches...Full Text Available

Science.gov (United States)

... A technique of the prior art uses an acousto-optic Q-switch which can ... Another approach uses electro-optic Q-switches in a pseudo cavity dumping ...

Energy Technology Data Exchange (ETDEWEB)

This Contractor Performance Plan is a detailed execution plan covering fiscal years 2007 and 2008 that implements the Integration Project Baseline in a more aggressive cost and schedule approach.

Science.gov (United States)

... of the loop filter based on ... algorithms, including delta-sigma approaches, routinely uses double-precision floating point number representations for ...

UK PubMed Central (United Kingdom)

This article proposes Bayesian analysis of mediation effects. Compared to conventional frequentist mediation analysis, the Bayesian approach has several advantages. First, it allows researchers...Full Text Available

UK PubMed Central (United Kingdom)

The ecological approach to perception, as developed by James Gibson, is described and applied to how one knows, by means of the haptic perceptual system, various properties of hand-held objects. Four...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

We present a laser spectroscopic approach for measuring the charge radius of the halo nucleus {sup 11}Li and report on recent progress in the development of the experimental apparatus.

UK PubMed Central (United Kingdom)

This paper presents a new approach to improve the in silico modeling of ultrasound transducer arrays. While current simulation tools accurately predict the theoretical element...Full Text Available

Science.gov (United States)

Numerical results on aeroelastic standard configurations are presented. The methods used for two dimensional configurations include the small perturbations approach for inviscid flow, coupling methods for unseparated flow, coupling methods for unseparated or separated, laminar or turbulent boundary layers, and a numerical solution of the Euler equations for inviscid flow. The three dimensional configurations are studied by the transonic small disturbance approach. The detailed results are given.

Energy Technology Data Exchange (ETDEWEB)

Current European and the US experiences in waste management are reviewed in the perspective of sustainable development. This publication questions the validity of the current approach taken by the Germany at ``closing the loop`` based on the example of packaging and packaging waste. The product item focus of current German legislation is compared with Danish and US approaches that are based on an integrated policy which covers the whole of waste generation and handling and is not product/item oriented. 1 fig., 2 tabs.

Science.gov (United States)

The reverse approach to critical (RAC) experiments were performed in the ZPR-IX critical facility at Argonne National Laboratory. One of the major objectives of this project is to determine the adequacy of the low-level flux monitor (LLFM) detectors for initial loading of the Fast Flux Test Facility (FFTF). 5 references. (auth)

Science.gov (United States)

A 56-year-old man admitted to our hospital for cardiac tamponade due to dilated cardiomyopathy did not respond to treatment by usual medical means or surgery. Pericardio-peritoneal drainage was conducted using a subcostal approach. Seven months later, the patient remains well and free of signs of pericardial tamponade. This method has proved to be safe and effective in patients with persistent massive pericardial effusion. PMID:10496067

UK PubMed Central (United Kingdom)

meyer r.m. & o’brien-pallas l.l. (2010)Nursing services delivery theory: an open system approach. Journal of Advanced Nursing66(12), 2828–2838.AimThis...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The Lagrange functions are a family of analytical, complete, and orthonormal basis sets that are suitable for efficient, accurate, real-space, order-N electronic-structure calculations. Convergence is controlled by a single monotonic parameter, the dimension of the basis set, and computational complexity is lower than that of conventional approaches. In this paper we review their construction and applications in linearscaling electronic-structure calculations.

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)

A new approach is introduced to study QCD amplitudes at high energy and comparatively small momentum transfer. Novel cut diagrams, representing the resummation of Feynman diagrams, are used to simplify the calculation and to avoid delicate cancellations encountered in the usual approach. An explicit calculation to the sixth order is carried out to demonstrate the advantage of cut diagrams over Feynman diagrams. copyright 1996 The American Physical Society.

International Nuclear Information System (INIS)

We present in this paper the computer code BACCHUS, to analyze the thermal-hydraulics in a rod bundle in single or two-phase flow regime. The model is 2-D and uses the porous body approach. The two-phase model is an extension of the classical homogeneous model, and includes a differential non-equilibrium equation. Results are shown for the extension of the boiling region in a 19-pin bundle. (orig.).

CERN Document Server

An approach to solving the problem of managerial control quality improvement corporate information-calculating networks (CICN) is proposed. The approach is based on the concept of a flexible toolkit. A macro-model, system-science and system-engineering models of an intelligent managerial control system (IMCS) for CICN development are considered as well as its dynamics. The practical opportunity of IMCS implementation is assessed. (5 refs).

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...

International Nuclear Information System (INIS)

On the basis of a conceptual line developed in a previuos publication a phenomenological model for the description of rescattering of mesons and antibaryons in a heavy nucleus is presented. Together with the previous work, this treatment allows one to set up a model-independent routine that can be used in different physical situations. The approximations and the reliability of the approach are thoroughly discussed.

International Nuclear Information System (INIS)

It was agreed that both of the Republic Of Korea (ROK) and the International Atomic Energy Agency (IAEA) cooperate with the new approach using the Unattended Monitoring Systems (UMS), the mailbox declaration and the short notice inspections, which can decrease the agency inspection efforts and operator' s burden. As a result of the positive cooperation of ROK for applying new approach, the IAEA could accomplish a successful implementation of new safeguards approach during last transfer campaigns at Wolsung site. As of the end of Feb. 2007, the IAEA installed the UMS at Wolsung units 2, 3 and 4. The transfer campaigns at Wolsung units 2 and 4 are performing from April, 2007. The IAEA will install the UMS at Wolsung unit 1 by the end of 2007. Then agency will inspect all of transfer campaign at Wolsung units by using new approach with UMS, mailbox declaration and SNI. It is based on the SSAC full ...

CERN Document Server

Bit Plane Complexity Segmentation (BPCS) digital picture steganography is a technique to hide data inside an image file. BPCS achieves high embedding rates with low distortion based on the theory that noise-like regions in an image's bit-planes can be replaced with noise-like secret data without significant loss in image quality. . In this framework we will propose a collaborate approach for select frame for Hiding Data within MPEG Video Using Bit Plane Complexity Segmentation. This approach will invent high secure data hidden using select frame form MPEG Video and furthermore we will assign the well-built of the approach; during this review the author will answer the question why they used select frame steganography. In additional to the security issues we will use the digital video as a cover to the data hidden. The reason behind opt the video cover in this approach is the huge amount of single frames ...

CERN Document Server

Email Retrieval task has recently taken much attention to help the user retrieve the email(s) related to the submitted query. Up to our knowledge, existing email retrieval ranking approaches sort the retrieved emails based on some heuristic rules, which are either search clues or some predefined user criteria rooted in email fields. Unfortunately, the user usually does not know the effective rule that acquires best ranking related to his query. This paper presents a new email retrieval ranking approach to tackle this problem. It ranks the retrieved emails based on a scoring function that depends on crucial email fields, namely subject, content, and sender. The paper also proposes an architecture to allow every user in a network/group of users to be able, if permissible, to know the most important network senders who are interested in his submitted query words. The experimental evaluation on Enron corpus prove that our ...

International Nuclear Information System (INIS)

The windmill industry in Denmark is currently confronted with making a choice between competing technologies so that the role of the stimulus of state subsidies for research has lately increased in importance. The Ministry of Energy, it is claimed, must be aware of this as possibilities for making use of research results are dictated by the market and competition. The industry is not sympathetic to the idea of state research contracts with specified goals for which manufacturers must produce a technical solution. Consultancy firms should work towards solving general problems which could help the industry as a whole. Wind turbines which are cheap to produce and operate are of more interest to industry than those which are technologically advanced or of a lighter construction. It is not thought to be advantageous to concentrate the allocation of subsidies on one key project chosen by the Ministry itself, such as the current intense interest in turbine blades. Aerodynamics, noise ...

International Nuclear Information System (INIS)

The in-plane resistivity, in-plane absolute thermopower, and upper critical field measurements are reported for single-crystal samples of YNi_2B_2C and LuNi_2B_2C superconductors. The in-plane resistivity shows metallic behavior and varies approximately linearly with temperature near room temperature (RT) but shows nearly quadratic behavior in temperature at low temperatures. The YNi_2B_2C and LuNi_2B_2C single-crystal samples exhibit large transverse magnetoresistance (#approx#6 8% at 45 kOe) in the ab plane. The absolute thermopower S(T) is negative from RT to the superconducting transition temperature T_c. Its magnitude at RT is a few times of the value for a typical good metal. S(T) is approximately linear in temperature between #approx#150 K and RT. Extrapolation to T=0 gives large intercepts (few #mu#V/K) for both samples suggesting the presence of a much larger knee than would be expected from electron-phonon interaction renormalization effects. The upper ...

Energy Technology Data Exchange (ETDEWEB)

In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C{sub 3}H{sub 8}O), water (H{sub 2}O) and zinc acetate (Z{sub n}(CH{sub 3}CO{sub 2}){sub 2}) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(lambda) and reflectance R(lambda) spectra. Conjoint optical and thermal properties were deduced from the ...

Science.gov (United States)

A factor which agglutinated the spores of Ceratocystis fimbriata in the presence of Ca2+ was purified from sweet potato (Ipomea batatas Lam cv. Norin[1]) root. Element composition of the purified factor was as follows; analysis found: C (29.8%), H (3.97%), O (65.34%), N (0.81%): calculated for C43H69O70N1: C (30.02%), H (4.01%), O (65.15%), N (0.81%). The factor was mainly composed of galacturonic acid (53% of dry weight) and contained arabinose, fucose, and unidentified component as minor components. The factor also agglutinated A-, B-, AB-, and O types of human erythrocytes to almost the same degree in the presence of Ca2+. The differential spore-agglutinating activity of the factor depended on the pH of the assay medium; it agglutinated similarly the germinated spores of sweet potato and coffee strains at pH 7.5 and 5.5, whereas it displayed a distinct differential agglutinating activity at pH 6.5. The factor was assayed for spore-agglutinating activity at pH ...

Energy Technology Data Exchange (ETDEWEB)

In the group of persistent aromatic hydrocarbons, the highest values were determined for polychlorinated biphenyls (PCB), total DDT and hexachlorobenzene (HBC). Comparisons of the relevant median values for the past six years led to the conclusion that the steep initial decline in the breast milk concentrations of DDT and HBC was followed by reductions at a much lower pace in the years after 1987. The time course of the concentration of the total PCB did not appear to follow any particular pattern. The mean contents of lead and cadmium remained by a wide margin below the threshold values for these heavy metals and thus were of no relevance from the toxicological point of view. It was found that the 134 and 137 cesium isotopes constituted no particular health hazard for breast-fed infants, as the relevant concentrations in breast milk were low. (VHE) [Deutsch] In der Gruppe der persistenten Chlorkohlenwasserstoffe werden die hoechsten Konzentrationen bei den polychlorierten Biphenylen ...

Science.gov (United States)

The gas-phase reaction of benzene with O(3P) is of considerable interest for modeling of aromatic oxidation, and also because there exist fundamental questions concerning the prominence of intersystem crossing in the reaction. While its overall rate constant has been studied extensively, there are still significant uncertainties in the product distribution. The reaction proceeds mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which can either dissociate to form the phenoxy radical and H atom, or undergo intersystem crossing onto a singlet surface, followed by a multiplicity of internal isomerizations, leading to several possible reaction products. In this work, we examined the product branching ratios of the reaction between benzene and O(3P) over the temperature range of 300 to 1000 K and pressure range of 1 to 10 Torr. The reactions were initiated by pulsed-laser photolysis of NO2 in the presence of benzene and helium buffer in a ...

Science.gov (United States)

The thermostable Thermus aquaticus DNA polymerase (Taq Pol) has been the key factor in transforming the initial PCR method into one with huge impact in molecular biology and biotechnology. Therefore, the development of effective affinity adsorbents for the purification of Taq Pol, as well as other DNA polymerases, attracts the attention of the enzyme manufacturers and the research laboratories. In this report we describe a simple protocol for the purification of Taq Pol from E. coli lysates, leading to enzymes of high specific activity and purity. The protocol is based on a single affinity chromatography step, featuring an immobilized ligand selected from a structure-biased combinatorial library of dNTP-mimetic synthetic ligands. The ligand library was screened for its ability to bind and purify Taq Pol from E. coli lysates. One immobilized ligand (mABSGu) of the general formula X-Trz-Y, bearing 9-aminoethylguanine (AEGu) and aniline-2-sulfonic acid (mABS) linked ...

Energy Technology Data Exchange (ETDEWEB)

Noncollinear (NC) magnetism is common in nature, especially when there exist geometrical frustration and chemical imparity in the system. In this work we studied the NC magnetism and the response to external magnetic fields in surfaces and interfaces of transition metals by using an semi-empirical tight-binding (TB) method that parameterized to the ab initio TB-LMTO calculations. We implemented this method to study two systems. The first one is the system of 6 Mn monolayers on Fe(001) substrate. Due to the complex structure and magnetic properties of Mn, we found 23 collinear magnetic configurations but only one NC configuration. The collinear ground state has a layered antiferromagnetic (AFM) coupling which agrees with previous experiments and calculations. In the NC configuration the local AFM coupling in the Mn layers is preserved, but the surface is 90 degree coupled to the substrate. Similar to the experiment in CdCr{sub 2}O{sub 4}, we obtained a collinear ...

Energy Technology Data Exchange (ETDEWEB)

The reactions of CF{sub 3}O radicals with (1) NO and (2) NO{sub 2} were studied using two different experimental techniques. A laser photolysis/LIF detection method was applied for measuring the rate constants as a function of temperature (T=222-302 K) and total pressure (p{sub tot}=7-107 mbar). Whereas the reaction with (1) NO was found to be independent of temperature and pressure with k{sub 1}=(4.5{+-}1.2) x 10{sup -11} cm{sup 3}s{sup -1}, the reaction with (2) NO{sub 2} was found to be dependent on both of these variables. The temperature dependence of k{sub 2} in the high pressure limit can be given by the expression k{sub 2{infinity}}{sup -}(T)=(8{+-}5) x 10{sup -13} exp ((863{+-}194) K/T) cm{sup 3}s{sup -1}. The product distributions of the two reactions were determined in separate experiments using steady-state photolysis combined with FTIR spectroscopy. For reaction (1) only CF{sub 2}O was found as a reaction product with a yield of 0.93{+-}0.10, independent of temperature. ...

Energy Technology Data Exchange (ETDEWEB)

Infrared spectra of bicyclo[1.1.1]pentane (C5H8) have been recorded at a resolution (0.0015 cm-1) sufficient to resolve for the first time individual rovibrational lines. This initial report presents the ground state constants for this molecule determined from the detailed analysis of three of the ten infrared-allowed bands, v14(e?) at 540 cm-1, v17(a2?) at 1220 cm-1, v18(a2?) at 832 cm-1, and a partial analysis of the v11(e?) band at 1237 cm-1. The upper states of transitions involving the lowest frequency mode, v14(e?), show no evidence of rovibrational perturbations but those for the v17 and v18 (a2?) modes give clear indication of Coriolis coupling to nearby e? levels. Accordingly, ground state constants were determined by use of the combination-difference method for all three bands. The assigned frequencies provided over 3300 consistent ground state difference values, yielding the following constants for the ground state (in units of cm-1): B0 = 0.2399412(2), DJ = 6.024(6) x 10-8, ...

International Nuclear Information System (INIS)

Expression of Bacterial luciferase enzyme (lux) in mammalian cells would be a powerful bioreporter protein system for in vivo imaging because eukaryotic luciferases need expensive substrates. However, only a few efforts have been made to express bacterial luciferase enzyme in mammalian cells. As the result of this, we attempted to construct bicistronic vector including two bacterial luciferase genes (LuxA and LuxB) for assessing the potential to be visualized in vitro or in vivo by optical imaging system after transfection to mammalian cells. We designed and synthesized luxA and luxB genes from Photorhabdus Luminescens. To co-express both luxA and luxB genes from a single promoter, we cloned as a bicistronic transcript fused with an internal ribosomal entry site (IRES). This bicistronic transcript was transfected by Superfect to HEK 293T cell line. We also transfected lux A and lux B vector to HEK 293T cells separately. To evaluate gene expression, n-decanal and FMNH2 were supplemented ...

Energy Technology Data Exchange (ETDEWEB)

The aim was to compare the energy consumption by private and commercial vehicles with that of public transport facilities constituting urban street traffic, and to evaluate the influence of various traffic related plans such as green waves (where cars are able to drive through the town with relatively few accelerations and braking) streets with lower speed limits and special lanes and priorities for buses. The traffic pattern in four Copenhagen streets (Jagtvej, Soelvgade, Bredgade and Strandvejen) were measured and analyzed both in, and not in, the rush hour, and a special model was used to calculate the energy consumption. The model defines degree of acceleration and slow-down and speed when calculating energy consumption with regard to various driving patterns. It also calculates carbon dioxide emission. It was found that energy consumption decreased with increasing driving speed at 10-60 km/h for all vehicles. The case of buses is a little different because of having to stop so ...

Energy Technology Data Exchange (ETDEWEB)

A massively-parallel ab initio computer code, which uses Gaussian bases, pseudopotentials, and the local density approximation, permits the study of transition-metal systems with literally hundreds of atoms. We present total energies and relaxed geometries for Ru, Pd, and Ag clusters with N = 55, 135, and 140 atoms; we also used the DMOL code to study 13-atom Pd and Cu clusters, with and without hydrogen. The N = 55 and 135 clusters were chosen because of simultaneous cubo-octahedral (fcc) and icosahedral (icos) sub-shell closings, and we find icos geometries are preferred. Remarkably large compressions of the central atoms are observed for the icos structures (up to 6% compared with bulk interatomic spacings), while small core compressions ({approx} 1 %) are found for the fcc geometry. In contrast, large surface compressive relaxations are found for the fcc clusters ({approx} 2-3% in average nearest neighbor spacing), while the icos surface displays small ...

Energy Technology Data Exchange (ETDEWEB)

To establish the optimum barium-based reduced-laxative tagging regimen prior to CT colonography (CTC). Ninety-five subjects underwent reduced-laxative (13 g senna/18 g magnesium citrate) CTC prior to same-day colonoscopy and were randomised to one of four tagging regimens using 20 ml 40%w/v barium sulphate: regimen A: four doses, B: three doses, C: three doses plus 220 ml 2.1% barium sulphate, or D: three doses plus 15 ml diatriazoate megluamine. Patient experience was assessed immediately after CTC and 1 week later. Two radiologists graded residual stool (1: none/scattered to 4: >50% circumference) and tagging efficacy for stool (1: untagged to 5: 100% tagged) and fluid (1: untagged, 2: layered, 3: tagged), noting the HU of tagged fluid. Preparation was good (76-94% segments graded 1), although best for regimen D (P = 0.02). Across all regimens, stool tagging quality was high (mean 3.7-4.5) and not significantly different among regimens. The HU of layered tagged fluid was ...

Energy Technology Data Exchange (ETDEWEB)

Non-edible filtered high viscous (72 cSt at 40{sup o}C) and high acid value (44 mg KOH/gm) polanga (Calophyllum inophyllum L.) oil based mono esters (biodiesel) produced by triple stage transesterification process and blended with high speed diesel (HSD) were tested for their use as a substitute fuel of diesel in a single cylinder diesel engine. HSD and polanga oil methyl ester (POME) fuel blends (20%, 40%, 60%, 80%, and 100%) were used for conducting the short-term engine performance tests at varying loads (0%, 20%, 40%, 60%, 80%, and 100%). Tests were carried out over entire range of engine operation at varying conditions of speed and load. The brake specific fuel consumption (BSFC) and brake thermal efficiency (BTE) were calculated from the recorded data. The engine performance parameters such as fuel consumption, thermal efficiency, exhaust gas temperature and exhaust emissions (CO, CO{sub 2}, HC, NOx, and O{sub 2}) were recorded. The optimum engine operating condition based on ...

International Nuclear Information System (INIS)

Anti-carcinoembryonic antigen monclonal antibody (MAb) CEA 102 was produced by immunization with purified CEA and the specific accumulation of radiolabeled CEA 102 in colorectal cancers was investigated by autoradiography of sugical specimens using Fuji Computed Radiography (FCR). Five patients with colorectal cancer were injected intravenously with "1"3"1I-labeled intact CEA 102 or its F(ab')_2. Primary tumor and liver metastases were successfully detected by external scanning with a gamma camera in 4 cases. Autoradiographic study of the surgical specimens using FCR showed predominant localization of "1"3"1I-labeled CEA 102 in primary tumors and liver metastases in all cases. Even a small liver metastasis (0.5 cm) was clearly visualized in the autoradiogram by FCR. The pixel distribution curves of the density of the respective tissues in the autoradiograms by FCR showed the heterogeneity of the distribution of administreted radiolabeled MAb in individual tumors, ...

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for water molecule adsorption on the (0001) surface of double hexagonal packed americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method (FP-L/APW+lo). Subsequent partial dissociation (OH+H) and complete dissociation (H+O+H) of the water molecule have been examined. The completely dissociated H+O+H configuration exhibit the strongest binding with the surface (3.35 eV), followed by partially dissociated species OH+H (2.23 eV), with all molecular H_2O configurations showing weak physisorption (0.366 eV). For molecular adsorptions, the flat lying orientation of the water molecule if found to be more favorable for majority of the cases. In the case of partial dissociation (OH+H), the vertical orientation of OH molecule with O facing the surface adsorbed at a h3 adsorption site and the H atom adsorbed at another ...

International Nuclear Information System (INIS)

The spike (S) protein of severe acute respiratory syndrome coronavirus (SARS-CoV) has two major functions: interacting with the receptor to mediate virus entry and inducing protective immunity. Coincidently, the receptor-binding domain (RBD, residues 318-510) of SAR-CoV S protein is a major antigenic site to induce neutralizing antibodies. Here, we used RBD-Fc, a fusion protein containing the RBD and human IgG1 Fc, as a model in the studies and found that a single amino acid substitution in the RBD (R441A) could abolish the immunogenicity of RBD to induce neutralizing antibodies in immunized mice and rabbits. With a panel of anti-RBD mAbs as probes, we observed that R441A substitution was able to disrupt the majority of neutralizing epitopes in the RBD, suggesting that this residue is critical for the antigenic structure responsible for inducing protective immune responses. We also demonstrated that the RBD-Fc bearing R441A mutation could not bind to soluble and ...

Energy Technology Data Exchange (ETDEWEB)

The report, Water Resources Management in Asia, has three objectives: To describe the situation confronting the region's borrowers, devise approaches to better deal with the present and future water related problems that affect their well-being and equip the staff to actively participate in the regional and Bank-wide efforts to strengthen the sector. The principal water resources problems and issues have been placed in four categories: Institutional, long-term management and planning, real-time management and operations, and financial. Such an arrangement provides a perspective for examining concerns across all economic sectors and allows formulation of solutions that will constitute a truly comprehensive, balanced approach to the critical situation encountered in managing these resources. A summary of past Bank activities has confirmed that an historic approach is not adequate to address the pressing problems of ...

Energy Technology Data Exchange (ETDEWEB)

This paper outlines an approach to develop estimates of individual customer contestability using a combined statistical and engineering analysis. The approach is targeted for use for mid-size commercial and industrial customers who are not being considered for individual flexible pricing contracts. Contestability is defined as the potential lost revenue associated with customers leaving the utility or significantly reducing electricity purchases. Contestability is modeled from the customer`s perspective using a two-stage decision process. In the first stage, the customer decides if he will continue to purchase electricity from the utility (referred to as customer retention), and in the second stage, the customer determines the amount of electricity purchased (referred to as load retention). Measures of individual customer contestability will be key factors in developing market segments and new rate offerings in future energy markets.

Science.gov (United States)

This paper deals with the experimental identification and the validation of a non-parametric probabilistic approach allowing model uncertainties and data uncertainties to be taken into account in the numerical model developed to predict low- and medium-frequency dynamics of structures. The analysis is performed for a composite sandwich panel representing a complex dynamical system which is sufficiently simple to be completely described and which exhibits, not only data uncertainties, but above all model uncertainties. The dynamical identification is experimentally performed for eight panels. The experimental frequency response functions are used to identify the non-parametric probabilistic approach of model uncertainties. The prediction of the low- and medium-frequency dynamical responses obtained with the stochastic system is compared with the experimental measurements.

Energy Technology Data Exchange (ETDEWEB)

A novel non-invasive approach to the on-line identification of BWR two-phase flow regimes is investigated. The proposed approach receives neutron radiography images of coolant flow recordings as its input and performs feature extraction on each image via simple and directly computable statistical operators. The extracted features are subsequently used as inputs to an ensemble of self-organizing maps whose outputs demonstrate swift and accurate classification of each image into its corresponding flow regime. The novelty of the approach lies in the use of the self-organizing map which generates the different classes by itself, according to feature similarity of the corresponding images; this contrasts traditional artificial neural networks where the user has to define both the number of distinct classes as well as to supply separate training vectors for each class.

Energy Technology Data Exchange (ETDEWEB)

Using databases derived from the pattern recognition approach, the paper presents a methodology for utilizing fuzzy models to enhance the quality of decision-making using fuzzy-logic algorithms. Two multi-objective fuzzy-logic control algorithms for controlling power system static/dynamic security are presented and analyzed. The first algorithm is based on the successive inferences of fuzzy implication rules for each individual objective, and the second algorithm is an application of the method of fuzzy linear programming. The paper discusses the properties, advantages and limitations of applying fuzzy decision-making logic in the pattern-recognition approach and concludes by highlighting potential areas for further development. (author)

Energy Technology Data Exchange (ETDEWEB)

In looking to the future and the development of new approaches or strategies for managing hazardous waste, it is important to understand and appreciate the factors that have contributed to current successful approaches. In the United States, several events in the last two decades have had a significant impact in advancing remediation of hazardous waste, including environmental legislation, legislative reforms on licensing federally funded research, and electronic transfer of information. Similar activities also have occurred on a global level. While each of these areas is significant, the electronic exchange of information has no national boundaries and has become an active part of major hazardous waste research and management programs. It is important to realize that any group or society that is developing a comprehensive program in hazardous waste management should be able to take advantage of this advanced approach in ...

Energy Technology Data Exchange (ETDEWEB)

This study presents a full cost approach to determine the levelized cost of energy (LCOE) of 14 electricity generation technologies. It encompasses costs incurred at all stages of the fuel cycle, including those that are traditionally omitted from economic evaluations of generation technologies. Incorporating these 'externalities' increases the likelihood of developing the most economical and sustainable power resource from a societal perspective. The following externalities are included in this analysis: damage from air pollution, energy security, transmission and distribution costs, and other environmental impacts. Incorporating externalities has a large impact on the LCOE and the relative attractiveness of electricity generation options. Results indicate that clean and efficient generation technologies are the most attractive when all options are examined using a full cost, levelized approach. (author)

DEFF Research Database (Denmark)

This article explores how action research, design based research and interaction design can be combined and used in the development of educational robotic tools. Our case study is the development of Number Blocks and it combines physical interaction, learning, and immediate feedback. Number Blocks supports the children's understanding of place value in the sense that it allows them to experiment with creating large numbers. The development was done in collaboration with a class of 7-8 year old children and their mathematics teacher. The article argues that elements from different research methods allowed a structured approach to projects that combines educational research and innovation of new learning technologies. Key elements of this approach is acknowledging the users input, developing a theoretical pre-analysis and using an iterative approach.

International Nuclear Information System (INIS)

Tokamaks with sufficiently strong supplementary heating develop non-Maxwellian electron velocity distributions. Because the absorption of electron cyclotron power is proportional to #nabla#_Vf, even small deviations from a Maxwellian distribution can significantly affect power deposition. Following an approach used to study microinstabilities in a plasma with an arbitrary, numerically specified, electron distribution, we have developed a computational module to study electron cyclotron power deposition in plasmas that have distributions motivated by those in actual tokamaks. Also, we compare the deposition results obtained using an energy balance approach with those obtained using a Taylor expansion of the dielectric tensor. We illustrate the limitations of the latter approach.

Energy Technology Data Exchange (ETDEWEB)

The increasing use of quantum-chemical methods in catalysis has underscored the importance of developing and improving semiempirical approximations oriented toward calculations of the total energy and geometry, offering a means for examining intermolecular interactions. In this article a general approach is proposed, using weighting factors for certain regions of distances, i.e., introducing different parametrization into the various regions. A scheme designated MINDO/3-HB is presented as an extension of the MINDO/3 scheme to the region of hydrogen bonds and ..pi..-complexes of olefins with Broensted acid centers (BACs). Examples of cluster calculations are given for the adsorption of ammonia, pyridine, ethylene, and ethanol on the BACs of zeolites. In the example of the process of zeolite synthesis, the possibilities of the cluster approach are discussed for calculations related to the formation of catalysts.

British Library Electronic Table of Contents (United Kingdom)

This research aims to develop a simulation approach based on system dynamics modelling (SDM) and adaptive network based fuzzy inference system (ANFIS) for quantifying and reducing the bullwhip effect in a multi-product, multi-stage supply chain. The proposed model is comprised of three groups of variables influencing the bullwhip effect, namely the structure of a supply chain network, supply chain contributions (ordering process in regular situation or when a supplier has a promotion or shortage gaming) and supply chain performances (the number of defects and ordering lead time). As a result, a two layer simulation model is developed with three generic models. The flexibility of this proposed approach is its ability to model various types of ordering policies which are basic inventory poli...

Science.gov (United States)

Motion Camouflage (MC) is illuminated as a novel strategy in counterattacking anti-satellite by way of stealth trajectory scheduling. The dynamics model of MC in space is developed and a quadratic function with three boundary constraints is employed for trajectory determination. Based on the model a scenario is set to run the simulation. The results indicate given the designed acceleration input, the predator will be moved following a prescribed route, which precisely locates the predator between two objects at each time instant. In the last approaching phase, the motion is achieved with a big bumping rate which guarantees the power of this striking. Methods for deriving minimum fuel cost in the fixed approaching duration and the minimum approaching duration in limited acceleration input are proposed and are verified in the simulation. At last, camouflage is recognized as a multi-faceted affair, in which stealth trajectory ...

UK PubMed Central (United Kingdom)

BackgroundA common approach to understanding the genetic basis of complex traits is through identification of associated quantitative trait loci (QTL). Fine mapping QTLs requires...Full Text Available