Energy Technology Data Exchange (ETDEWEB)

Unique measurement of the proton structure function F2 in a wide two-dimensional region of x and Q**2 has been reported. The accessible kinematics covers entire resonance region up to W=2.5 GeV in the Q**2 interval from 0.1 to 4.5 GeV**2. Obtained data allowed for the first time an evaluation of moments of the structure function F2 directly from experimental data as well as an intensive study of the Bloom-Gilman duality phenomenon.

International Nuclear Information System (INIS)

Recently, molecular clusters are the subject of several experimental and computational studies by means of their bonding structures. We studied, first time, small difluorine monoxide clusters such as dimer (linear, cyclic, bifurcated), trimer and tetramer structures using B3LYP variant of density functional theory with cc-pVDZ basis set. On the basis of the optimized geometry, various energy properties such as binding energy, molecular orbital energies, two and three body interaction energies have been calculated. Additionally dipole moment, polarizability, anisotropic polarizability and hyper polarizability have been calculated and compared with monomer structure.

International Nuclear Information System (INIS)

The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and dynamical studies of ...

International Nuclear Information System (INIS)

A new iron phosphate (NH4)4Fe3(OH)2F2[H3(PO4)4] has been synthesized hydrothermally at HF concentrations from 0.5 to 1.2 mL. Single-crystal X-ray diffraction analysis reveals its three-dimensional open-framework structure (monoclinic, space group P21/n (No. 14), a=6.2614(13) A, b=9.844(2) A, c=14.271(3) A, ?=92.11(1)o, V=879.0(3) A3). This structure is built from isolated linear trimers of corner-sharing Fe(III) octahedra, which are linked by (PO4) groups to form ten-membered-ring channels along [1 0 0]. This isolated, linear trimer of corner-sharing Fe(III) octahedra, [(FeO4)3(OH)2F2], is new and adds to the diverse linkages of Fe polyhedra as secondary building units in iron phosphates. The trivalent iron at octahedral sites for the title compound has been confirmed by synchrotron Fe K-edge XANES spectra and magnetic measurements. Magnetic measurements also ...

International Science & Technology Center (ISTC)

Multi-functional Bioactive Nano-structured Coatings for Load-Bearing Implants

Energy Technology Data Exchange (ETDEWEB)

Positron emission tomography (PET) imaging of {beta}-amyloid (A{beta}) plaques in the brain is a potentially valuable tool for studying the pathophysiology of Alzheimer's disease (AD). It may also be applicable for measuring the effectiveness of therapeutic drugs aimed at lowering A{beta} plaques in the brain. We have successfully reported a series of {sup 18}F-labeled fluoropegylated stilbenes for PET imaging studies. Encouraging results clearly demonstrated the usefulness of {sup 18}F-labeled stilbenes as potential A{beta} plaque-imaging agents. In the present study, we applied a similar approach to a styrylpyridine backbone structure. Among all derivatives examined (E)-2-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)-5-(4-dimethylaminostyryl) -pyridine (2) displayed high binding affinity in postmortem AD brain homogenates (K {sub i}=2.5{+-}0.4 nM, with [{sup 125}I]IMPY as radioligand). No-carrier-added [{sup 18}F]2 was ...

International Nuclear Information System (INIS)

The ternary stannides RE_3Ru_4Sn_1_3 (RE = La, Ce, Pr, Nd) were obtained by arc-melting of the elements. The polycrystalline samples were characterized by powder X-ray diffraction. The structures of three compounds were refined from single-crystal diffractometer data: Yb_3Rh_4Sn_1_3 type, Pm anti 3n, a = 977.74(3) pm, wR2 = 0.0379, 280 F"2 values for La_3Ru_4Sn_1_3, a = 971.34(9) pm, wR2 = 0.0333, 274 F"2 values for Ce_3Ru_4Sn_1_3, a = 970.68(8) pm, wR2 = 0.0262, 272 F"2 values for Nd_3Ru_4Sn_1_3 with 13 variables per refinement. The structures consist of three-dimensional networks of condensed RuSn_6_/_2 trigonal prisms with the RE (CN 16) and Sn2 (CN 12) atoms in two different types of cavities of the networks. The two crystallographically independent tin sites have been resolved by "1"1"9Sn Moessbauer spectroscopy. ...

International Nuclear Information System (INIS)

The static thermophysical properties of the molten salt system like LiF-NaF-BeF_2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 0.15LiF-0.58NaF-0.27BeF_2, over the temperature range from 873.15K to 1073.15K at one atmosphere pressure, is described by using modified Peng-Robinson equation. The density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermophysical properties such as the enthalpy, entropy and heat capacity at constant pressure are evaluated by the fugacity coefficient and residual function methods respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and ...

Science.gov (United States)

The static thermophysical properties of the molten salt system like LiF-NaF-BeF2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 0.15LiF-0.58NaF-0.27BeF2, over the temperature range from 873.15K to 1073.15K at one atmosphere pressure, is described by using modified Peng-Robinson equation. The density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermophysical properties such as the enthalpy, entropy and heat capacity at constant pressure are evaluated by the fugacity coefficient and residual function methods respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and ...

International Nuclear Information System (INIS)

The A-dependence of the nuclear structure functions is described rather well within the framework of the quark-parton-flucton model of nucleus. 16 refs. (author).

CERN Document Server

Full-Potential Electronic Structure Method

KoreaScience (Korea)

Full Text Available

Science.gov (United States)

Several central results of the method of structural formulae for some classes of analytic functions, which were known before for a disc and an annulus, are generalized to analytic functions in a finitely connected circular domain.

Energy Technology Data Exchange (ETDEWEB)

The performance of conjugate gradient schemes for minimizing unconstrained energy functionals in the context of electronic structure calculations is studied. The unconstrained functionals allow a straightforward application of conjugate gradients by removing the explicit orthonormality constraints on the quantum-mechanical wave functions. However, the removal of the constraints can lead to slow convergence, in particular when preconditioning is used. The convergence properties of two previously suggested energy functionals are analyzed, and a new functional is proposed, which unifies some of the advantages of the other functionals. A numerical example confirms the analysis.

UK PubMed Central (United Kingdom)

The molecular structure, chemical properties, and biological function of the xyloglucan polysaccharide isolated from cell walls of suspension-cultured sycamore (Acer pseudoplatanus)...Full Text Available

UK PubMed Central (United Kingdom)

A unique antibacterial peptide derivative found in immune honeybee lymph, apidaecin 1b (AP1), was randomly mutagenized and characterized by a newly established system to analyze in vivo its structure-function...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

It is shown that the available experimental data on the x, Q/sup 2/, and A dependences of the structure functions of nuclei and their ratios (the EMC effect) can be described by the flucton model with rescaling of the parton distributions in nuclei. The x, Q/sup 2/, and A dependence of the nuclear structure functions in the cumulative region (x>1) is predicted.

Energy Technology Data Exchange (ETDEWEB)

We review the physics of structure functions at low Q{sup 2}, focusing on the phenomenon of quark-hadron duality and the resonance-scaling transition, both phenomenologically and in the context of quark models. We also present a new implementation of target mass corrections to nucleon structure functions which, unlike existing treatments, has the correct kinematic threshold behavior at finite Q{sup 2} in the x -> 1 limit.

CERN Document Server

In undirected graphical models, learning the graph structure and learning the functions that relate the predictive variables (features) to the responses given the structure are two topics that have been widely investigated in machine learning and statistics. Learning graphical models in two stages will have problems because graph structure may change after considering the features. The main contribution of this paper is the proposed method that learns the graph structure and functions on the graph at the same time. General graphical models with binary outcomes conditioned on predictive variables are proved to be equivalent to multivariate Bernoulli model. The reparameterization of the potential functions in graphical model by conditional log odds ratios in multivariate Bernoulli model offers advantage in the representation of the conditional ...

British Library Electronic Table of Contents (United Kingdom)

In this paper, we present the photoluminescence properties of Pr3+-, Sm3+- and Dy3+-doped germanate glasses and glass ceramics. From the X-ray diffraction measurement, the host glass structure was determined. These glasses have shown strong absorption bands in the near-infrared (NIR) region. Compared to Pr3+-, Sm3+- and Dy3+-doped glasses, their respective glass ceramics have shown stronger emissions due to the Ba2TiGe2O8 crystalline phase. For Pr3+-doped glass and glass ceramic, emission bands centered at 530nm (3P03H5), 614nm (3P03H6), 647nm (3P03F2) and 686nm (3P03F3) have been observed with 485nm (3H43P0) excitation wavelength. Of them, 647nm (3P03F2) has shown bright red emission. Emission bands of 4G5/26H5/2 (565nm), 4G5/26H7/2 (602nm) and 4G5/26H9/2 (648nm) for the Sm3+:glass and gl...

UK PubMed Central (United Kingdom)

BackgroundStructured noncoding RNAs perform many functions that are essential for protein synthesis, RNA processing, and gene regulation. Structured RNAs can be detected by comparative...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

During the design process, designers have to define the structure of their product while considering its functional definition. This design phase remains little assisted for designers. In addition, as numerous options can be considered for the end of life of a product (reuse, remanufacturing, recycling,) it becomes more difficult to obtain a compromise concerning the final structure of the product. In this paper, we will show how the use of virtual reality helps designers to transform the functional definition of the product into the design of its structure, during the conceptual design phase. The developed example will concern the design of a bathroom scale.

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.

Science.gov (United States)

... is not a "significant portion of its range." Asarco, Inc. v. EPA, 616 F.2d 1153, 1159 ( ... ...

UK PubMed Central (United Kingdom)

Altered structure, and hence function, of cellular macromolecules caused by oxidation can contribute to loss of physiological function with age. Here, we tested whether the lifespan of bats, which generally...Full Text Available

UK PubMed Central (United Kingdom)

Pulmonary function tests were performed on seven adult dairy cows with an expanded lung field (ExLF) and the results were compared to the values from seven cows with normal lung fields. The cows with...Full Text Available

CERN Document Server

Generalized functions

Energy Technology Data Exchange (ETDEWEB)

I review recent developments in quark-hadron duality in inclusive electron-nucleon scattering. Matrix elements of twist-4 operators extracted from moments of the spin-dependent g1 structure function suggest that duality violating higher twists are small above Q2 {approx} 1 GeV2. The x dependence of local duality is analyzed within a quark model framework, and mechanisms are identified for spin-flavor symmetry breaking which underpin the behavior of structure functions at large x.

British Library Electronic Table of Contents (United Kingdom)

AbstractObjective To review studies investigating the brain correlates of unawareness of cognitive and behavioural symptoms in people with dementia. Design A detailed search of the literature was conducted to include all the peer-reviewed studies published in English aimed at identifying the structural or functional brain correspondents of unawareness in dementia patients. Their results were interpreted in relation to the methodological differences in terms of type of dementia studied, the protocol adopted to measure lack of awareness, the imaging techniques employed, the experimental designs and statistical analyses performed. Results Eighteen studies undertaken to explore the functional and structural correlates of unawareness of cognitive symptoms in dementia were identified. Although t...

Energy Technology Data Exchange (ETDEWEB)

There is no abstract currently available for this item

Science.gov (United States)

Hybrid density functionals, which replaces a fraction of a density functional theory exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of ?-Pu. The fractions of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrids functionals with HF exchange amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization or itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with the ...

International Nuclear Information System (INIS)

Hybrid density functionals, which replace a fraction of density functional theory (DFT) exchange with exact Hartree-Fock (HF) exchange, have been used to study the structural, magnetic, and electronic properties of #delta#-Pu. The fraction of exact Hartree-Fock exchange used were 25%, 40%, and 55%. Compared to the pure PBE functional, the lattice constants expanded with respect to the experimental value when the PBE-HF hybrid functionals were applied. For pure PBE and hybrid functionals with HF exchanges amounts of 25% and 40%, the ground state structure was anti-ferromagnetic, while for 55% HF contribution the ground state was non-magnetic. The 5f electrons tend to exhibit slight delocalization of itinerancy for the pure PBE functional and well-defined localization for the hybrid functionals, with ...

Energy Technology Data Exchange (ETDEWEB)

The known biological functions of RNA have expanded in recent years and now include gene regulation, maintenance of sub-cellular structure, and catalysis, in addition to propagation of genetic information. As for proteins, RNA function is tightly correlated with structure. Unlike proteins, structural information for larger, biologically functional RNAs is relatively limited. NMR signal degeneracy, relaxation problems, and a paucity of long-range {sup 1}H-{sup 1}H dipolar contacts have limited the utility of traditional NMR approaches. Selective isotope labeling, including nucleotide-specific and segmental labeling strategies, may provide the best opportunities for obtaining structural information by NMR. Here we review methods that have been developed for preparing and purifying isotopically labeled RNAs, as well as NMR strategies that have ...

International Nuclear Information System (INIS)

Germanium coordination compounds (GCC) with oxiethilidendyphosphonic acid (Ge-Oedph) film structures electrophysical, optical, structural and adsorptive properties investigation results are represented. This structure concerns to a new perspective class of functional materials. The mechanism GCC films electric conductivity is investigated and explained. GCC possible application fields are specified.

UK PubMed Central (United Kingdom)

Matrilin-1 is expressed predominantly in cartilage and co-localizes with matrilin-3 with which it can form hetero-oligomers. We recently described novel structural and functional features of the matrilin-3...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Authors already reported the integrated system so called SODAS (System Of Design and Assembling for Shipbuilding) which was based on product model concept. And products in shipbuilding industry today are not limited to ship structures alone. Therefore, it is desirable that a more global product model which can describe another products such as offshore structures should be considered. In this paper, a product model of offshore structures is discussed. Compared with the case of ship structures, the distinctive feature in the design stage of offshore structures lies in the initial design stage. Thus in this paper, some of the new model in initial design stage are introduced. Some of them are `Function Element Model` which expresses functional concept by designers. In the other design stage, product information such as `Room` and `Part` which ...

CERN Document Server

The notion of group entropy is proposed. It enables to unify and generalize many different definitions of entropy known in the literature, as those of Boltzmann-Gibbs, Tsallis, Abe and Kaniadakis. Other new entropic functionals are presented, related to nontrivial correlation laws characterizing universality classes of systems out of equilibrium, when the dynamics is weakly chaotic. The associated thermostatistics are discussed. The mathematical structure underlying our construction is that of formal group theory, which provides the general structure of the correlations among particles and dictates the associated entropic functionals. As an example of application, the role of group entropies in information theory is illustrated and generalizations of the Kullback-Leibler divergence are proposed. A new connection between statistical mechanics and zeta functions is established. In ...

International Nuclear Information System (INIS)

The method of augmented plane wave (APW) is used to obtain the band structure of the SmS compound in the semiconductor and metal phases. The noncentral part of the Coulomb electron-electron interaction is taken into account in the first order perturbation theory. In this case the radial part of the wave APW-function is taken as a zero approximation function. A multiplet structure of the excited configuration f"5d, which provides a good description of the X-ray photoelectron spectrum and optical spectrum epsilon_2(#omega#), is obtained. The configuration fd is calculated for the interpretation of the optical absorption spectrum of the samarium monosulfide metal phase. (author).

International Nuclear Information System (INIS)

The inherited sterility of the spiny bollworm Earias Insulana Boisd. Irradiated as parental male adults, with sub sterilizing doses of 100-200 Gy has been studied throughout three successive generations. In general, the female fecundity decreased at the three doses of irradiations (100, 150 and 200 Gy) throughout P_1. F_1, F_2 and F_3 generations as compared to control. The reduction was insignificant in all treatments with some exceptions at 200 Gy, in the parental generation and 150 and 200 Gy bin F_2 generation. Egg hatch of the parental generation was obviously reduced at 100, 150 and 200 Gy treatments as compared to the control. The progeny of F_1 males were evidently more sterile than their irradiated male parents. The effect continued in the F_2, population, however F_3 males almost regained their fertility. Irradiation of P_1 males did not greatly affect ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

A series of Model Tests of Embedment Effect on Reactor Buildings has been carried out by the Nuclear Power Engineering Corporation (NUPEC), under the sponsorship of the Ministry of International Trade and Industry (MITI) of Japan. Sinusoidal forced vibration tests were carried out on three types of large-scale models to study the embedment effect on dynamic soil-structure interaction. The differences in the resonance curves and the impedance functions were discussed in relation to the vibration characteristics of the respective structures. The embedment effects on the structural responses vary according to the stiffness of the structure. The responses of the structures can be evaluated by the Axisymmetric FEM analyses. (author)

DEFF Research Database (Denmark)

The determination of conformational preferences in unfolded and disordered proteins is an important challenge in structural biology. We here describe an algorithm to optimize energy functions for the simulation of unfolded proteins. The procedure is based on the maximum likelihood principle and employs a fast and efficient gradient descent method to find the set of parameters of the energy function that best explain the experimental data. We first validate the method by using synthetic reference data, and subsequently apply the algorithms to data from nuclear magnetic resonance spin-labeling experiments on the Delta 131 Delta fragment of Staphylococcal nuclease. A significant strength of the procedure that we present is that it directly uses experimental data to optimize the energy parameters, without relying on the availability of high resolution structures. The procedure is fully general and can be ...

International Nuclear Information System (INIS)

Optimal design of the hyperfractionated radiotherapy requires basic radiobiological data such as the critical dose per fraction, number of fractions per day and total equivalent dose, to name a few. As a prelude to in vivo hyperfractionated irradiation, the authors carried out experiments to determine quantitative changes in the proliferation and cell kinetic parameters of multicellular spheroids after hyperfractionated irradiation. Experiments were carried out with HeLa S-3 spheroid growing in MEM culture media. Hyperfractionated irradiation schedules were 1.5 Gy/f, 2f/day and 1.0 Gy/f, 3 f/day. At intervals after irradiation, cell numbers, growth delays and cell cycle distribution of spheroids were determined. The kinetic data were obtained by the use of flow cytometry. The most pronounced changes in cell kinetic parameters were early G/sub 2/M block, proportional to single radiation dose up to 4.0 Gy. There was a corresponding depletion of ...

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 ...

International Nuclear Information System (INIS)

Studied are the mechanical properties of welded joints and heat affected zones of the Kh8N10T steel and OT4 and VT1-2 titanium alloys on welding in Ar+deltaF_6 and Ar+CCl_2F_2 mixtures contributed to a decrease of porosity. Tensile and impact tests of welded joints have revealed that additions of sulfur hexafluoride into argon causes a decrease of impact strength in titanium alloy when the tensile strength does not depend on the composition of a halogen-containing atmosphere. Freon (CCl_2F_2) additions decrease only slightly the impact strength of the investigated alloys.

International Nuclear Information System (INIS)

The optical, electromagnetic and mechanical properties of thin films (TFs) are directly correlated to their morphology at the nanoscale. This, in concert with the fact that new deposition techniques are enabling the growth of thin films with very complex morphologies, there is an increasing interest in model-based simulation (MBS) for the design of engineering structures (including nanostructures), and increasing computer speeds are beginning to make MBS an effective design tool capable of bridging the nanoscale with the continuum scale, has made it increasingly important to understand how the nanostructure of a thin film impacts its properties at all length scales. The authors have developed the capability to determine the mechanical properties of thin films with amorphous nanostructure by combining molecular dynamics, i.e., position of particles (e.g., atoms or molecules) and their interatomic potential(s), with continuum mechanics principles. This work concerns ...

Energy Technology Data Exchange (ETDEWEB)

Calculating work-function modifications for flat-lying conjugated molecules on extended metal surfaces using density functional theory (DFT) is an extremely resource intensive task. This prevents fast screening of new molecules for their potential to optimize metal work functions for good electron or hole injection in organic electronic devices. We present a semi-classical model, which avoids that problem. This is achieved by identifying the dominant processes occurring at the interface between metal and adsorbate in the pinning-regime, which are then parameterizing their description using band-structure DFT calculations for a small training set With the resulting interdependent equations at hand, only simple gas-phase calculations are needed to predict the work-function changes induced by new molecules. The model is tested for ten molecules on three different metal surfaces, where ...

UK PubMed Central (United Kingdom)

SUMMARYIn voltage-gated sodium, potassium, and calcium channels the functions of ion conduction and voltage sensing are performed by two distinct structural units: the pore domain...Full Text Available

UK PubMed Central (United Kingdom)

ATP-binding cassette transporters (ABC transporters) utilize the energy of ATP hydrolysis to translocate an unusually diverse set of substrates across cellular membranes. ABCA4, also known as...Full Text Available

UK PubMed Central (United Kingdom)

Microbes in nature frequently function as members of complex multitaxon communities, but the structural organization of these communities at the micrometer level is poorly understood because of limitations...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

As part of a combined study of the responses of the mouse adrenal gland and kidney to X-irradiation, the weight of adrenal glands, the relative volumes of the cortex and medulla and the aldosterone output were measured at predetermined times after irradiation of the left organs only.

UK PubMed Central (United Kingdom)

SummaryThe structure and function of myosin crossbridges in asynchronous insect flight muscle (IFM) have been elucidated in situ using multiple approaches. These...Full Text Available

UK PubMed Central (United Kingdom)

PurposeRadiation-induced heart disease (RIHD) is a severe side effect of thoracic radiotherapy. This study examined the effects of PTX and α-tocopherol on...Full Text Available

UK PubMed Central (United Kingdom)

We examine how the structure and function of indirect flight muscle (IFM) and the entire flight system of Drosophila melanogaster are affected by phosphorylation of the myosin regulatory light chain...Full Text Available

UK PubMed Central (United Kingdom)

To assemble into functional structures, biopolymers search for global minima through their folding potential energy surfaces to find the native conformation. However, this process can be hindered by...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundChondroitin sulphate is a complex polysaccharide having important structural and protective functions in animal tissues. Extracted from animals, this compound is used as...Full Text Available

UK PubMed Central (United Kingdom)

Moenomycin A (MmA) belongs to a family of natural products that inhibit peptidoglycan biosynthesis by binding to the peptidoglycan glycosyltransferases (PGTs), the enzymes that make the glycan...Full Text Available

UK PubMed Central (United Kingdom)

We investigated the effects of wastewater treatment plant (WWTP) discharge on the ecology of bacterial communities in the sediment of a small, low-gradient stream in South Australia. The quantification...Full Text Available

UK PubMed Central (United Kingdom)

Sialic acids are structurally unique nine-carbon keto sugars occupying the interface between the host and commensal or pathogenic microorganisms. An important function of host sialic acid is to regulate...Full Text Available

UK PubMed Central (United Kingdom)

OBJECTIVEPrevious studies showed that genetic deletion or pharmacological blockade of the receptor for advanced glycation end products (RAGE) prevents the early structural changes...Full Text Available

UK PubMed Central (United Kingdom)

Homologous to bacteriorhodopsin and even more to proteorhodopsin, xanthorhodopsin is a light-driven proton pump that, in addition to retinal, contains a noncovalently bound carotenoid with a function...Full Text Available

UK PubMed Central (United Kingdom)

Motor function requires that motor axons extend from the spinal cord at regular intervals and that they are myelinated by Schwann cells. Little attention has been given to another cellular structure,...Full Text Available

UK PubMed Central (United Kingdom)

Structural variants which cause changes in copy numbers constitute an important component of genomic variability. They account for 0.7% of genomic differences in two individual genomes, of which...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

We study fluctuation properties of strength function phenomena by employing a quantum mechanical model where a single parent state couples with a large number of background states. The background system is devised in such a way that the classical dynamics of the system may show a regular, an irregular, or a chaotic character as a function of a single parameter. The coupling of the parent state to the background states produces a fragmentation of the parent state, giving rise to a strength function phenomenon. We study various measures of the strength function that characterize its bulk structure or fluctuation properties. They include energy moments, strength distribution, fractal dimensions of the strength function, and Fourier transform of the autocorrelation function. Some of these measures, such as strength distribution or Fourier ...

International Nuclear Information System (INIS)

The applicability of auxiliary functions Qqns and Gq-ns in combined Hartree-Fock-Roothaan theory suggested by one of the authors is demonstrated by calculation of electronic structure of some molecules. As an example of application, the calculations have been performed for the ground states of BH, Bh2, BH3, CH, CH2 and CH3 using minimal basis sets of Slater type orbitals. The results of computer calculations for the orbital and total energies, linear combination coefficients of symmetrized and un symmetrized molecular orbitals, and virial ratios are presented.

Wastenet

...Correction Discussion Editorial Letter Opinion Review Short Note Technical Note Special Issue all A Systematic Development Method for Rational Drug Design Advances in Molecular Electronic Structure Calculations Algorithms and Molecular Sciences Antimicrobial Agents Application of Density Functional Theory Applications of Density Functional Theory Applications of Molecular Dynamics Atoms in Molecules ...

Science.gov (United States)

It is shown that the extended softening in k space of the [111] transverse acoustic phonon in Nb3Sn seen recently by neutron measurements is in agreement with the predictions of a phenomenological Landau description of the structural phase transition in the A-15 compounds. This indicates the feasibility of a calculation of the partial phonon density of states of modes directly coupled to the order parameter driving the structural transition, as a function of temperature.

Energy Technology Data Exchange (ETDEWEB)

Peroxisome proliferator activated receptor-{gamma} (PPAR{gamma}) regulates metabolic homeostasis and adipocyte differentiation, and it is activated by oxidized and nitrated fatty acids. Here we report the crystal structure of the PPAR{gamma} ligand binding domain bound to nitrated linoleic acid, a potent endogenous ligand of PPAR{gamma}. Structural and functional studies of receptor-ligand interactions reveal the molecular basis of PPAR{gamma} discrimination of various naturally occurring fatty acid derivatives.

International Nuclear Information System (INIS)

To calculate the energy band structures in semiconductors using the relativistic augmented plane wave method, atomic potential and charge density are needed, which are calculated by self-consistent method. Wave function for one electron is determined by solving the Dirac equation with the Hartree-Fock equation based on the slater's exchange potential. The results of calculation for Cu"+"1 are given. (Author).

CERN Document Server

Kohn-Sham density functional theory is one of the most widely used electronic structure theories. Uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn-Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach the chemical accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn-Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn-Sham orbitals ...

Energy Technology Data Exchange (ETDEWEB)

This paper describes the structure of dynamic neuronal ensembles (DNEs). DNEs represent a new paradigm for learning, based on biological neural networks that use variable structures. We present a computational neural element that demonstrates biological neuron functionality such as neurotransmitter feedback absolute refractory period and multiple output potentials. More specifically, we will develop a network of neural elements that have the ability to dynamically strengthen, weaken, add and remove interconnections. We demonstrate that the DNE is capable of performing dynamic modifications to neuron connections and exhibiting biological neuron functionality. In addition to its applications for learning, DNEs provide an excellent environment for testing and analysis of biological neural systems. An example of habituation and hyper-sensitization in biological systems, using a neural circuit from a snail ...

Energy Technology Data Exchange (ETDEWEB)

Lectin is a generic name of sugar binding protein in living organisms. With an objective to clarify physiological functions of lectin in marine invertebrates and utilize it as a useful material in the bio-chemical industry, studies were carried out on the chemical structure, distribution in living organisms and structural changes of lectin. Lectin is involved with such physiological actions as immunity reactions, generation and differentiation, Ca fixation and symbiosis. Lectin is one of the main components of lymph fluid in shellfish and crustacean, and is a multi-functional polymer that is related with foreign substance recognition, Ca transport, and shell formation. Lectin of a certain kind shows strong actions to accelerate cell division. Organs and cells were cultivated for lectin producing organs and lectin producing cells to verify the production thereof. Elucidation was attempted in a molecular ...

Energy Technology Data Exchange (ETDEWEB)

In this paper we describe a modelling project to improve a nuclear waste management program in charge of the creation of a new system for the permanent disposal of nuclear waste. SADT (Structural Analysis and Design Technique) is used in order to provide a work-flow description of the functions to be performed by the waste management program. This description is then translated into a number of Coloured Petri Nets (CPN or CP-nets) corresponding to different program functions where additional behavioural inscriptions provide basis for simulation. Each of these CP-nets is simulated to produce timed event charts that are useful for understanding the behaviour of the program functions under different scenarios. Then all the CPN models are linked together to form a single stand-alone application that is useful for validating the interaction and cooperation between the different program ...

International Nuclear Information System (INIS)

The present work studies the fecundity, egg batching and mating of normal females of Earias Insulana Boisd. crossed with males irradiated as 24 h adult moths with two doses (80 and 100 Gy.) of gamma radiation. The male progeny were out bred or inbred with untreated individuals for two successive generations F_1and F_2 and their progeny was observed for any inherited deleterious effects on reproduction. The female fecundity and egg hatch were significantly reduced among P1,F1 and F2 generations by increasing the dosages applied to P_1 males as compared with the untreated control. The percentage of mating of P_1 females was significantly reduced at the two doses as compared to the untreated control. The average number of spermatophores per mated female was reduced among P_1,F_1 and F_2 generations when parental males were irradiated with 100 Gy. The larval and ...

International Nuclear Information System (INIS)

High aspect ratio sub-#mu#m periodic structures fabricated by focused ion beam (FIB) lithography have been characterised by Rutherford backscattering spectrometry (RBS) using the macrochannelling technique. The technique overcomes the limitations of complementary techniques such as scanning electron microscopy (SEM) and atomic force microscopy (AFM), which can provide images with sub-#mu#m resolution of just the surface features and not of the deep sub-surface structures, without destructive cross sectioning of the sample. Here RBS macrochannelling with a 2 MeV He"+ ion beam is used to analyse a diffraction grating fabricated by FIB milling an array of 100 nm wide trenches in a 300 nm thick Ag film on a Si substrate. Using the surface structure imaged by SEM and AFM as a starting point, a numerical model for the RBS spectrum from the grating is fitted to the experimental spectrum as a function of the ...

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Background The objective of this study was to confirm provisional quantitative trait loci (QTL) for cocaine-induced locomotor activation, on chromosomes 1, 5, 6, 9, 12, 15, 16, 17, and 18, previously identified in the AXB/BXA recombinant inbred (RI) and AcB/BcA recombinant congenic (RC) strains of mice derived from A/J (A) and C57BL/6J (B6) progenitors. This was accomplished through a genetic analysis of cocaine-induced activity in an AxB6 F2 cross and a phenotypic survey across a panel of B6.A chromosome substitution strains (CSS) mice. Mice were tested for cocaine-induced activity, following administration of saline and cocaine (20?mg/kg), utilizing an open-field procedure. Results Among AxB6 F2 mice, differences in cocaine-induced activity were associated with loci on chromosome 1 (D1Mi...

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In the first paper of this series devoted to a structural analysis of a binary metallic glass model, we study a Pd/sub 80/Si/sub 20/ sample obtained by numerical relaxation. We discuss the reproducibility of the method and make a comparison with the experimental interference functions. Then we undertake a microscopic structural analysis from several point of view: we first study the number of neighbours of each type for each type of atoms; secondly, we analyse the structure by means of the radical plane method; at last, we show that it is possible to generalize the five fundamental characteristic units introduced by Bernal, so that we can define the environment of any Si atom without any ambiguity. All these methods reveal a certain tendency towards a prismatic environment for the metalloids.

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Epitaxial films grown pseudomorphically on substrates provide a way to stabilise non-equilibrium structures of materials. Obviously, there always is a certain lattice misfit between substrate and film material in its bulk equilibrium structure. In the pseudomorphic regime, this misfit can either lead to the growth of films in a strained bulk structure or even yield structures that are not stable in the bulk. Large misfits do not necessarily imply large lateral stress. Theory can help to predict e.g. geometry, stress and magnetic properties of pseusomorphically grown metal films. In this work, we considered the fcc-bcc epitaxial Bain path of 3d, 4d, and 5d transition metals, which provides a reasonable description of tetragonally distorted films on substrates. We carried out density functional calculations in the implementation of the full potential local orbital program package ...

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We analyzed ionospheric observations made with digisondes in Jicamarca, Ramey, Wallops Island, Ascension Island, and Kwajalein Island during the major magnetic storm of November 9-10, 2004, which was associated with rapid interplanetary magnetic field (IMF) Bz changes. The strongest ionospheric responses to the southward IMF Bz turning were observed at the dip equator at Jicamarca where during the magnetic disturbance a dramatic F2 peak density depletion occurred at around 15:00 local time, accompanied by a fast upward motion of the plasma. In this process, an additional ionospheric layer, the F3 layer, formed with peak densities NmF3 exceeding NmF2. This observation may be considered evidence of an equatorial plasma fountain enhancement caused by the magnetic field disturbance. Responses ...

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The use of n-alkanethiolate self-assembled monolayers on gold has blossomed in the past few years. These systems have functioned as models for common interfaces. Thiolate monolayers are ideal because they are easily modified before or after deposition. The works contained within this dissertation include interfacial characterization (inbred reflection absorption spectroscopy, ellipsometry, contact angle, scanning probe microscopy, and heterogeneous electron-transfer kinetics) and various modeling scenarios. The results of these characterizations present ground-breaking insights into the structure, function, and reproducible preparation of these monolayers. Surprisingly, three interfacial properties (electron-transfer, contact angle, and ellipsometry) were discovered to depend directly on the odd-even character of the monolayer components. Molecular modeling was utilized to investigate adlayer orientation, and suggests that ...

CERN Document Server

It has by now been established that standard QCD factorization using transverse momentum dependent parton distribution functions fails in hadro-production of nearly back-to-back hadrons with high transverse momentum. The essential problem is that gauge invariant transverse momentum dependent parton distribution functions cannot be defined with process-independent Wilson line operators, thus implying a breakdown of universality. This has led naturally to proposals that a correct approach is to instead use a type of "generalized" transverse momentum dependent factorization in which the basic factorized structure is assumed to remain valid, but with transverse momentum dependent parton distribution functions that contain non-standard, process dependent Wilson line structures. In other words, to recover a factorization formula, it has become common to assume that it is sufficient to ...

CERN Document Server

A new metaheuristic optimisation algorithm, called Cuckoo Search (CS), was developed recently by Yang and Deb (2009). This paper presents a more extensive comparison study using some standard test functions and newly designed stochastic test functions. We then apply the CS algorithm to solve engineering design optimisation problems, including the design of springs and welded beam structures. The optimal solutions obtained by CS are far better than the best solutions obtained by an efficient particle swarm optimiser. We will discuss the unique search features used in CS and the implications for further research.

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This article describes a hierarchical and functional model for continuous process control aid. The expertise is represented by graphs from a simple functional restructuring of the Grafcet, which is the formalism used by the designers of the command-control program. The new structure is familiar to the operator, and it is settled in an expert system. The application built on the basis of this method detects some default types which are not detected by the control-command. It proposes a diagnosis to the operator, and can explain and justify the state of the process. (authors) 9 refs.

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We present a phenomenological model of the quark-hadron transition in neutrino-nucleon scattering. Using recently extracted weak nucleon transition form factors, we investigate the extent to which local and global quark-hadron duality is applicable in the neutrino F{sub 1}, F{sub 2} and F{sub 3} structure functions, and contrast this with duality in electron scattering. Our findings suggest that duality works relatively well for neutrino-nucleon scattering for the F{sub 2} and F{sub 3} structure functions, but not as well for F{sub 1}. We also calculate the quasi-elastic, resonance and deep inelastic contributions to the Adler sum rule, and find it to be satisfied to within 10% for 0.5 < Q{sup 2} < 2 GeV{sup 2}.

International Nuclear Information System (INIS)

It is known that the plant cuticle represents the first barrier that must be overcome by any chemical reaching the plant surface from the atmosphere before entering the plant. Because of the importance of the cuticle as a barrier to penetration of a wide variety of compounds, its morphology, chemistry, and permeability have been extensively studied. However, only limited information is available on the nature of functional chemical groups present and their interaction and role during the penetration process. The usefulness of in situ Fourier transform infrared spectroscopy studies in identifying functional groups present in isolated cuticles is described and their relationships to the structure of the cuticular membrane are discussed. Applications of infrared spectroscopy on the presence and role of phenolics in the cuticle structure and during the cuticle development, nitrogen oxide binding to isolated ...

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Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.

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This thesis consists of five chapters, each of which is a self-contained unit. The first chapter overviews methods for electronic-structure calculations. Chapter 2 introduces a new method to generate a rapidly converging configuration expansion. The approach iteratively combines (1) a least-squares fitting of a configuration expansion to a many-body wave function with (2) a transfer-matrix method for projecting out the ground state. Results are shown to be equivalent to multiconfiguration Hartree-Fock. Results from test calculations are given for a simple finite difference model of the helium atom. In Chapter 3 the use of the finite-element method in electronic structure calculations is discussed. Chapters 4 and 5 discuss developments in Monte Carlo methods based on Hubbard-Stratonovich transformations. Chapter 4 introduces a canonical ensemble formulation of the method, which is more appropriate than the usual grand ...

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SummaryBackground Intracellular transport via processive kinesin, dynein, and myosin molecular motors plays an important role in maintaining cell structure and function. In many cases, cargoes move distances longer than expected for single motors; there is significant evidence that this increased travel is in part due to multiple motors working together to move the cargoes. Although we understand single motors experimentally and theoretically, our understanding of multiple motors working together is less developed. Results We theoretically investigate how multiple kinesin motors function. Our model includes stochastic fluctuations of each motor as it proceeds through its enzymatic cycle. Motors dynamically influence each other and function in the presence of thermal noise and viscosity. We...

CERN Document Server

We study perturbations of a Schwarzschild black hole in Chern-Simons modified gravity. We begin by showing that Birkhoff's theorem holds for a wide family of Chern-Simons coupling functions, a scalar field present in the theory that controls the strength of the Chern-Simons correction to the Einstein-Hilbert action. After decomposing the perturbations in spherical harmonics, we study the linearized modified field equations and find that axial and polar modes are coupled, in contrast to general relativity. The divergence of the modified equations leads to the Pontryagin constraint, which forces the vanishing of the Cunningham-Price-Moncrief master function associated with axial modes. We analyze the structure of these equations and find that the appearance of the Pontryagin constraint yields an overconstrained system that does not allow for generic black hole oscillations. We illustrate this situation by studying the case ...

International Nuclear Information System (INIS)

A computational procedure is proposed to perform uncertainty analysis for the calculation of the isotopic inventory and radiological quantities obtained as a linear function of it, due to uncertainties in the activation cross sections. The method is applied to determine the uncertainty of the calculated shallow burial index (SBI) from activated type 304 stainless steel (SS) in the most neutron-exposed zone of the HYLIFE-II vessel structure. Results are obtained by means of an element-by-element study. Some other types of steel are also investigated for comparison purposes. The SS304 is confirmed to be the most promising steel option. 16 refs., 2 tabs.

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Abstract Silicates are one of the most important classes of compounds on this planet, and more than 1000 silicates have been identified in the mineral kingdom. Additionally, several hundreds of artificial silicates have been synthesized. The substitution of oxygen by nitrogen leads to the structurally diverse and manifold class of nitridosilicates. Silicon nitride, one of the most important non-oxidic ceramic materials, is the binary parent compound of nitridosilicates, and it symbolizes the inherent material properties of these refractory compounds. However, prior to the last decades, a broad systematic investigation of nitridosilicates had not been accomplished. In the meantime, these and related compounds have reached a remarkable level of industrial application. This review illustrates...

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The self-consistent relativistic linearized-augmented-plane-wave method is applied to local-density calculation of electronic structure of TmS. It is found that thulium monosulphide is a compound with a trivalent state of thulium. The influence of spin-orbital interaction is shown for different symmetry states of electrons. Calculated densities of states are used for the estimation of the electron-phonon coupling constant. And in conclusion it is shown that TmS is a high temperature Kondo-like system. (author).

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The present paper dealt with the extension of tendon friction coefficient correlation as a function of loading end load and circumferential angle, proposed in the former paper. The extended correlation further included the effects of the number of strands contacted with sheath, tendon diameter, politicization of tendon and tendon local curvature. The validity of the correlation was confirmed by several published measured data. The structural analysis of middle cylinder part of 1/4 PCCV (Prestressed Concrete Containment Vessel) model was conducted using the present friction coefficient correlation. The results were compared with the analysis using constant friction coefficient, focused on the tendon tension force distribution. (author)

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The purpose of the chapter is to explain briefly the various considerations that enter into determining the general layout or arrangement of typical hydroelectric powerplants, pumping plants, and pumped-storage plants. Some of the important factors that affect or determine the location, type, and layout of the plant and the selection of the major items of equipment included in the installation are outlined in this chapter. The first consideration in the design of a powerplant, pumping plant, or pumped-storage plant is that it adequately perform its function and be structurally safe. The structure is also designed to give a pleasing architectural appearance.

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There are two kinds of uncertainties in safety assessment of engineering structures. One is of the nature of randomness, and the other fuzziness. Fuzzy uncertainties exist in defining certain structural performances, conditions, parameters, and their interrelationships. The theory of fuzzy sets should be employed to cope with the fuzzy uncertainties. In this paper, a general definition for structural failure considering the fuzzy uncertainties is introduced firstly. Failure of the structure is modelled by a fuzzy event, and described by the membership function. The limit state surface is then replaced by a fuzzy limit state zone, in which every point represents a state belonging to the failure with a certain degree of membership. Then a fuzzy optimization problem for solving the reliability index is formulated. In classical structural reliability theory, the ...

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Positron emission tomography (PET) and magnetic resonance imaging (MRI) studies were performed on a case of neuro-Behcet's syndrome. In accordance with the clinical signs, FDG PET (using /sup 18/F-labeled 2-F-2'-desoxyglucose) revealed disseminated storage defects in the cerebrum and cerebellum. Focal regions of enhanced signal intensity were demonstrated in the parietal white matter of the cerebrum in T2-weighted images and in the brain stem by MRI. (orig.).

International Nuclear Information System (INIS)

Intrinsic crossluminescence (CRL) of CsBr, CsCl, and of BaF_2 was investigated with electron-beam and synchrotron radiation excitation. From the CRL spectra, the excitation spectra and the reflectivity, energy level schemes were deduced. Extrinsic CRL was observed changing either the initial (CsCl:Br"-) or the final (RbCl:Cs"+; KCl:Cs"+) state of CRL by doping. (author).

British Library Electronic Table of Contents (United Kingdom)

Metal iodates with a lone-pair containing I(V) that is in an asymmetric coordination geometry can form a diversity of unusual structures and many of them are promising new second homonic generation (SHG) materials. They exhibit wide transparency wavelength regions, large SHG coefficients and high optical-damage thresholds as well as moderately high thermal stability. In this paper, the structures and properties of the metal iodates are reviewed. The combination of d0 transition-metal cations with the iodate groups afforded a large number of metal iodates, with cations covering alkali metal, alkaline earth and lanthanide elements. Many of them are noncentrosymmetric (NCS) and display excellent SHG properties due to the additive effects of polarizations from both types of the asymmetric unit...

International Nuclear Information System (INIS)

Collection, analysis and quantification of human factor data are important compositions of human reliability analysis (HRA) and probabilistic risk assessment (PRA). Various human factor databases have been set up, but there are comparatively little human factor data management systems which can be uses for collection, classification, analysis, calculation and predication of the human factor data. Therefore, the human factor data management system for Daya Bay NPP is developed, with the following three modules and four databases: original data module, computing module, introduced data module, and basic database, other data source of the plant, external database and introduced database. The foundational problems about human factor data and the systemic structure and function are described. The data structure in the database is also discussed, because it is of the most importance in the system

International Nuclear Information System (INIS)

The electronic structure and optical properties in tetragonal ceramics PbTiO_3, are studied by using full-potential linearized augmented plane wave method in density functional theory with the generalized gradient approximation by WIEN2K package. The theoretical calculated optical properties and energy loss spectrum yield a static refractive index of 2.59 and a plasmon energy of 22.7eV for the tetragonal phase. The effective electron number at low energy saturates near 22-23eV with the value of 50 for the effective electron number. The results show a indirect band gap of 2.2eV at the I' point in the Brillouin zone. The :calculated band structure and density of states of PbTiO_3 agree with previous experimental and theoretical results.

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We report the first band structure calculations of the quasi-one-dimensional [MnTPP][TCNE] compounds (TPP?=?meso-tetraphenylporphyrinato, TCNE?=?tetracyanoethylene), based on Density Functional Theory (DFT) methods, in order to interpret the magnetic ordering in these prototypic systems. We compare and contrast the results of broken-symmetry DFT calculations for extended systems, with periodic boundary conditions, and for finite systems, magnetic dimers modeling the actual molecular magnets. By varying systematically the main angles, we are able to determine the geometry dependence of the exchange interaction. Structure?properties correlations in these charge-transfer salts reveal the determinant role of the Mn-(N?C)TCNE bond angle on the strength of the ferrimagnetic coupling between the ...

International Nuclear Information System (INIS)

We have studied the structure of both propanol isomers in their glassy and crystalline states by neutron diffraction. The glass-transition temperatures of 1- and 2-propanol are about 98 and 115 K, respectively and, surprisingly, even larger differences are observed for the melting temperatures of the stable crystals, which are 148 and 185 K, respectively. Their supercooled liquid phases show rather different relaxation spectra, 1-propanol manifesting strong deviations from Debye behavior, whereas 2-propanol shows a far weaker effect. We discuss the spectra obtained for the static structure factor and the static pair correlation function D(r). There is a noticeable difference in the position of the first sharp diffraction peak, which clearly indicates a density change, well correlated with the period of the intermolecular oscillations shown by D(r). (orig.)

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Abstract Electronic structures of two representative zigzag and armchair models of aluminum phosphide nanotube (AlPNT) were investigated by density functional theory calculations. The structures were optimized and the bond lengths, tip diameters, band gaps, and dipole moments were calculated. Moreover, the quadrupole coupling constants (CQ) were calculated for the Al-27 atoms of the optimized structures. The same values of AlP bond lengths were calculated for both models. The larger value of band gap of armchair model than the zigzag model indicated the stronger dielectric property for the former model. The values of CQ(27Al) were the largest for the Al atoms placed at the tips of both zigzag and armchair AlPNT than other Al atoms, which could reveal dominant role of the Al atoms placed at...

International Nuclear Information System (INIS)

The International Atomic Energy Agency has initiated a co-ordinated research programme on implementation of base-isolation for nuclear structures. This paper discusses two areas relevant to modelling elastomeric base-isolators. These are the use of simplified models to predict the response of isolated structures to earthquake inputs and finite element analysis for calculating the stress distributions within the isolators. In the former, a curvilinear hysteretic model of the high damping natural rubber able to accommodate the stiffening of the rubber at large shear deflections is presented. Its predictions of structural accelerations and bearing displacement produced by design earthquakes and those above the design level are compared with those using a linear spring and dashpot model. A comparison has been made between two finite element analyses using MARC and ABAQUS of the force-deformation behaviour of a single disc of ...

International Nuclear Information System (INIS)

We consider a particle that is subject to a constant force and scatters inelastically on a vibrating periodically corrugated floor. At small friction and for small scatterers the dynamics is dominated by resonances forming spiral structures in phase space. These spiral modes lead to pronounced maxima and minima in the diffusion coefficient as a function of the vibration frequency, as is shown in computer simulations. Our theoretical predictions may be verified experimentally by studying transport of single granular particles on vibratory conveyors.

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The Rayleigh scattering of Moessbauer radiation has been measured on highly oriented fibres of Na-hyaluronate at different hydration levels. The elastic- and-inelastic-scattering intensities, measured as a function of the scattering vector Q, have provided information on the dynamic structuring of the water molecules to the polysaccharidic chains.

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After reviewing some of the mathematical foundations and numerical difficulties facing lattice QCD, I review the status of several calculations relevant to experimental high-energy physics. The topics considered are moments of structure functions, which may prove relevant to search for new phenomena at the LHC, and several aspects of flavor physics, which are relevant to understanding CP and flavor violation.

International Nuclear Information System (INIS)

The wavefunction of a positron in ReO is calculated using the augmented-plane-wave method. Due to the loosely-packed structure of ReO_3, the ground-state GAMMA_1 wavefunction exhibits a marked anisotropy particularly around the oxygen ions, and a large fraction of a positron is distributed in the interstitial region. Experimental results of the positron annihilation 2#gamma#-correlations and the positron annihilation rates in ReO_3 are discussed based on the positron wavefunction. (orig.).

International Nuclear Information System (INIS)

Based on a hypothesis of multiquark states in nuclei, the nucleus structure functions are considered and the results are compared with experiment. It is shown that the multiquark state contributions are sufficiently high (Up to 20% in deuterium and 40% in iron) and must possess a greater, than in a nucleon, sea of quark-antiquark pairs. Also the comparison with the cumulative particle production cross sections is performed. The predictions are given for a further experimental test of that hypothesis.

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Chapter 5, describes some of the most important molecular methods used in the study of chromosome structure and function. The methods discussed include fragmentation of DNA, cloning, flow cytometry and chromosome sorting, is situ hybridization, polymerase chain reaction (PCR), and yeast artificial chromosomes (YACs). 18 refs., 3 figs., 1 tab.

International Nuclear Information System (INIS)

We discuss the consequence of local duality for elastic scattering, and derive a model-independent equation between structure functions at x ? 1 and elastic electromagnetic form factors. Then the electromagnetic form factors of proton are discussed using the quark-hadron duality theory. We also debate the form factor of proton in a bound state. It may be an effective approach to study the form factor of proton in media.

CERN Document Server

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

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Migration-based methods have been recently proposed to improve the estimation of angle-dependent reflectivity in the presence of complex structures. An anisotropic prestack reverse-time migration is developed to estimate the reflectivity as function of the local illumination angle. This migration method generates four simultaneous images which corresponds to the in-depth (local) plane-wave response for PP, PS, SP and SS reflections, and can be used in a Zoeppritz-based elastic inversion scheme. (author)

CERN Document Server

We consider the numerical discretization of the time-domain Maxwell's equations with an energy-conserving discontinuous Galerkin finite element formulation. This particular formulation allows for higher order approximations of the electric and magnetic field. Special emphasis is placed on an efficient implementation which is achieved by taking advantage of recurrence properties and the tensor-product structure of the chosen shape functions. These recurrences have been derived symbolically with computer algebra methods reminiscent of the holonomic systems approach.

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Achieving device independence for software applications is required for all but a small number of critical real time applications. Device independence is achieved by establishing protocols and building protocol interpreters for the specific devices. Data structures containing pointers to functions provide a flexible architecture for implementing protocol translation. 3 refs., 5 figs.

International Nuclear Information System (INIS)

Magnetron sputter deposition was used to fabricate body centered cubic (bcc) and A-15 crystal structure W thin films. Previous work demonstrated that the as-deposited crystal structure of the films was dependent on the deposition parameters and that the formation of a metastable A-15 structure was favored over the thermodynamically stable bcc phase when the films contained a few atomic percent oxygen. However, the A-15 phase was shown to irreversibly transform into the bcc phase between 500 C and 650 C and that a significant decrease in the resistivity of the metallic films was measured after the transformation. The current investigation of 150 nm thick, sputter deposited A-15 and bcc tungsten thin films on silicon wafers consisted of a series of experiments in which the stress, resistivity and crystal structure of the films was measured as a function of temperatures cycles in a ...

International Nuclear Information System (INIS)

A nuclear power plant engineering (NPP) simulator may include many system functions such as thermal-hydraulic calculation, 3D reactor neutron kinetics model, control and protection system, display and operational human-machine interface, intelligent alarm system, etc. If all those functions are simulated using a single code, the size of the program will cause structural or managerial problems, and the hardware requirement could be tremendous. Thus, any local function errors or changes may affect the whole code, which will make development and maintenance extremely costly. So the nondistributed code is not considered to be flexible and feasible. Currently, distributed and parallel technologies have been applied to develop NPPs engineering simulator for safety analysis, verification of advanced main control room display, operation and intelligent alarm design. The distributed simulation divides a huge ...

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. ...

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With an objective to learn reactivity of coal at its surface, surfaces of oxidized coal samples were investigated. Miike coal was oxidized by using {sup 18}O2 in a closed loop system. As the reaction progresses, proportion of CO2 including isotopes increased rapidly as a result of oxidation of CO sites existing in the coal and the newly generated C{sup 18}O sites. The oxidizing reaction progressed via oxygen adsorbing sites generated near the surface, and oxygen containing groups. An FT-IR analysis estimated the depth of the oxidized layer to be 10{mu}m or less from particle surface. The oxidized coal was pulverized to see its surface condition. Functional groups introduced by the oxidation enter into the vicinity of the surface in a form to desorb as CO. CO2 is trapped in inner pores. The coal surface was observed by using an atomic force microscope. No observable openings in the pore structure were discerned on the surface before the ...

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The uncoupling protein (UCP) is a proton/anion transporter found in the inner mitochondrial membrane of brown adipocyte. Although UCP has nor been detected in mitochondria from any other tissue, it shares structural and catalytic properties with several other mitochondrial carrier proteins. Although UCP was discovered only recently it is one of the most extensively studied mitochondrial carrier proteins.More recently, the mouse, rat, and human genes encoding for UCP have been isolated and sequenced. The availability of these various tools has led to several significant observations. UCP gene expression is strongly controlled at the level of transcription by signals that are activated after the stimulation of brown adipocytes by norepinephrine. The comparison of UCP gene with the genes encoding the adenine nucleotide translocator revealed the existence of structural and evolutionary homologies. Moreover, in humans the UCP gene and one form of ...

CERN Document Server

Elliptic Functions

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Technology is being developed for preparing functional materials by synthesizing new functional peptides in which non-natural amino acid needed for the functional manifestation is introduced, and by modifying the surface of a base plate such as silica glass by using such peptides. Activities were conducted in the three areas of (1) creation of functional molecules, (2) materialization technology, and (3) comprehensive investigation and research; the activities were carried out independently and parallelly in the first two areas. In (1), design technique for the structures and functions of peptides was developed, as were conformational control technique, synthesis of peptides having optical/electronic functions, peptide synthesis by an enzyme method, and R and D on introduction of non-natural amino acid into peptides; in (2), element ...

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

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Human senescence marker protein 30 (SMP30), which functions enzymatically as a lactonase, hydrolyzes various carbohydrate lactones. The penultimate step in vitamin-C biosynthesis is catalyzed by this enzyme in nonprimate mammals. It has also been implicated as an organophosphate hydrolase, with the ability to hydrolyze diisopropyl phosphofluoridate and other nerve agents. SMP30 was originally identified as an aging marker protein, whose expression decreased androgen independently in aging cells. SMP30 is also referred to as regucalcin and has been suggested to have functions in calcium homeostasis. The crystal structure of the human enzyme has been solved from X-ray diffraction data collected to a resolution of 1.4 {angstrom}. The protein has a 6-bladed {beta}-propeller fold, and it contains a single metal ion. Crystal structures have been solved with the metal site bound with either a Ca{sup 2+} or a ...

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A systematic study of structure-mechanical properties relation is reported for MoSi{sub 2}-SiC nanolayer composites. Alternating layers of MoSi{sub 2} and SiC were synthesized by DC magnetron and rf-diode sputtering, respectively. Cross-sectional transmission electron microscopy was used to examine three distinct reactions in the specimens when exposed to different annealing conditions: Crystallization and phase transformation of MoSi{sub 2}, crystallization of SiC, and spheroidization of the layer structures. Nanoindentation was employed to characterize the mechanical response as a function of structural changes. As-sputtered material exhibits amorphous structures in both types of layers and has a hardness of 11 GPa and a modulus of 217GPa. Subsequent heat treatment induces crystallization of MoSi{sub 2} to form the C40 structure at 500C and SiC to form the a ...

British Library Electronic Table of Contents (United Kingdom)

The effects of pore curvature and surface heterogeneity on the adsorption of water on a graphitic surface at 298 K were investigated using a Grand Canonical Monte Carlo (GCMC) simulation. Slit and cylindrical pores are used to study the curvature effects. To investigate the surface heterogeneity the functional group and the structural defect on the surface were specifically considered. The hydroxyl group (OH) is used as a model for the functional group and the water potential model proposed by Muller et al. is used to calculate the water interaction. For the homogeneous cylinder, the pore filling occurs at a pressure lower than the saturation pressure of the water model, while it is greater in the case of homogeneous slit pore. The size of hysteresis loop is more sensitive to the length of...

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The regenerative-chatter resistance of a viscoelastic cantilever beam is analyzed and compared to the common dynamic vibration absorber (DVA) system. The beam represents a tool holder for turning operation in machining. The optimum structural parameters are found by maximizing the most negative real part of the frequency response function (FRF). The FRF is found analytically by using an appropriate Greens function. Keeping the cantilever static stiffness constant, further increase in the optimal resistance is achieved by changing the ratio between the two elastic moduli in the 3-parameter solid viscoelastic material model. Three additional chatter resistance indicators are also investigated: the most positive real part of the FRF, the magnitude of the FRF and the resonant frequency. It is ...

British Library Electronic Table of Contents (United Kingdom)

Density functional theory calculations were performed to study the effects of different substituents and bridge groups on the heats of formation (HOFs), thermal stability, and detonation properties for a series of diiminotetrazole derivatives. The isodesmic reaction method was employed to calculate the HOFs of the derivatives using total energies obtained from electronic structure calculations. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the diiminotetrazole derivatives. The detonation velocities and pressures were evaluated by using the semiempirical Kamlet-Jacobs equations, based on the theoretical densities and HOFs. These results provide basic information for the molecular design of novel high-energy density...

CERN Document Server

Small angle neutron scattering (SANS) on the unilamellar vesicle populations (diameter 500 and 1000 angstrom) was used to characterize lipid vesicles from dimyristoylphosphatidylcholine (DMPC) at three phases (gel, ripple, and liquid). Parameters of vesicle populations and internal structure of the DMPC bilayer were characterized on the basis of the Separated Form Factor (SFF) model. Parameters of the internal bilayer structure (thickness of the membrane and the hydrophobic core, hydration, and surface area of lipid molecule) were determined on the basis of the Hydrophobic-Hydrophilic (HH) approximation of neutron scattering length density across the bilayer r(x) and of the Step Function (SF) approximation of r(x). It was demonstrated in frame of HH approximation that DMPC membrane thickness in liquid phase (T=30 degrees) depends on the membrane curvature. The dependence of the DMPC membrane thickness on temperature was ...

International Nuclear Information System (INIS)

In this study, WO3 thin films were grown on glass substrates using an aqueous solution containing tungstate (NH4)2WO4 as precursor. The substrate temperature incremented from 250 to 500 deg. C, by steps of 50 deg. C. The structural properties were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. Microprobe analyses showed that a balanced stoichiometric composition was obtained for thin films prepared at Ts = 350 and 400 deg. C. The X-ray diffraction analyses showed different structure crystallography in function of the substrate temperature. Moreover, films deposited at 400 deg. C were annealed in air for 2 h at 450 and 500 deg. C, respectively and the structural changes due to heat treatment were studied. Finally, the optical properties of these films were carried out using optical measurements of transmittance T(?) and reflectance R(?) spectra in 300-1800 ...

Science.gov (United States)

Symplastic transport occurs between neighbouring plant cells through functionally and structurally dynamic channels called plasmodesmata (PD). Relatively little is known about the composition of PD or the mechanisms that facilitate molecular transport into neighbouring cells. While transmission electron microscopy (TEM) provides 2-dimensional information about the structural components of PD, 3-dimensional information is difficult to extract from ultrathin sections. This study has exploited high-resolution scanning electron microscopy (HRSEM) to reveal the 3-dimensional morphology of PD in the cell walls of algae, ferns and higher plants. Varied patterns of PD were observed in the walls, ranging from uniformly distributed individual PD to discrete clusters. Occasionally the thick walls of the giant alga Chara were fractured, revealing the surface morphology of PD within. External structures such as ...

British Library Electronic Table of Contents (United Kingdom)

Crystalline bis(O,O'-di-sec-butyldithiophosphato)platinum(II) was prepared and studied by means of 13C, 31P CP/MAS NMR spectroscopy and single-crystal X-ray diffraction. The unit cell of the platinum(II) compound is comprised of one centrosymmetric mononuclear molecule [Pt{S2P(O-sec-C4H9)2}2], in which the dithiophosphate groups display structural equivalence in both 31P NMR and XRD data. A pair of the dithiophosphate ligands exhibit the same S,S'-bidentate chelating structural function and form two planar four-membered chelate rings, [PtS2P], in this molecule. The planar configuration of the [PtS4] chromophore in structure 1 is governed by the dsp2-hybrid state of platinum(II). The structural states of the dithiophosphate groups in two different samples of complex 1 (one crystallised from...

Energy Technology Data Exchange (ETDEWEB)

The synchronous orbit performance of Hughes Aircraft Company solar arrays is presented and compared with the results of ground based predictions for orbital durations of almost 11 years. Performances of the Intelsat IV*, IVA*, and Telesat (Anik) solar arrays are detailed. This paper is an update of the in-orbit performances previously reported in 1976 (1). The in-space performance data indicate solar array power degradation of 16.7 percent for Intelsat IV F-2 after 130 months in orbit, and 13.0 percent for Telesat F-1 after 85 months in orbit. The predicted output of each of these solar arrays is within 2 percent of the actual in-orbit performance of these systems. The Intelsat IV F-2 experienced the 4 August 1972 solar flare. The ability to accurately predict the performance of solar arrays within telemetry accuracy is demonstrated. This ability combines the electrical measurements of a solar array in ...

International Nuclear Information System (INIS)

This paper describes the development and a detailed analysis carried out on the luminescence characteristics of Pr"3"+ doped ZrF_4-BaF_2-LaF_3-YF_3-AlF_3-NaF glasses. In the present work our objectives are to elucidate the possible mechanisms that are responsible for NIR to red upconversion process and yellow to blue upconversion emission in terms of energy level schemes from the praseodymium containing fibre optical glass composition. We have studied their different physical and optical properties. Besides our investigation on the upconversion emission of these glasses, normal fluorescence studies have also been undertaken in explaining the mechanisms in demonstrating bright red and blue emissions upon excitations at visible and UV wavelengths. Besides these measurements works, a bright blue colour emission was observed under an UV source (202 nm) and upconverted prominent red emissions were observed with a laser diode (LD of 980 nm). ...

International Nuclear Information System (INIS)

adult males and females, less than 24 hours old, of the spiny bollworm, Earias Insulana boisd. were irradiated with sub sterilizing doses of 50,80,100 and 150 gray (Gy). treated moths were out crossed with normal adults and observed for their ability to reproduce. inherited deleterious effects resulting from irradiation of p_1 moths were recorded for several generations. the reduction in both fecundity and egg viability increased by increasing the dose applied to p_1 adult moths .at all tested doses, the females were more radiosensitive than males, as for reduction in fecundity and egg viability. the progeny from irradiated parental females are not as sterile as the progeny from irradiated parental males. the reduction of egg hatching continued in the progeny of irradiated males through F_1 and to lesser extent through F_2 .on the other hand , irradiation of P_1 females reduced the rate of egg hatching among parental generation and to lesser ...

Science.gov (United States)

Four trypsin inhibitor homologs, the first known from Dendroaspis angusticeps venom, were characterized using a combination of gel filtration, cation exchange, reverse-phase liquid chromatography, Edman degradation and mass spectrometry. The four toxins comprise two 57 residue and two 59 residue isoforms. The long toxins possess a Lys-Gln N-terminal extension lacked by the short toxins. The only other structural difference is an Arg/His replacement at position 55. The long Arg55 variant is identical to trypsin inhibitor E from the venom of Dendroaspis polylepis. The name epsilon-dendrotoxin is suggested so as to follow the nomenclature of Benishin, C.G., Sorensen, R.G., Brown, W.E., Krueger, B.K., Blaustein, M.P., 1988. Four polypeptide components of green mamba venom selectively block certain potassium channels in rat brain synaptosomes. Mol. Pharmacol. 34, 152-159. Among snake venom protease inhibitors, the epsilon-dendrotoxins are ...

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We evaluate the sphere level S-matrix element of two tachyons and two massless NS states, the S-matrix element of four tachyons, and the S-matrix element of two tachyons and two Ramond-Ramond vertex operators, in type 0 theory. We then find an expansion for theses amplitudes that their leading order terms correspond to a covariant tachyon action. To the order considered, there are no T4, T2(-bar T)2, T2H2, nor T2R tachyon couplings, whereas, the tachyon couplings FF-bar T and T2F2 are non-zero.

International Nuclear Information System (INIS)

In this study, the experimental and theoretical study on the structures and vibrations of 2 and 3-methylpiperidine are presented. The FT-IR spectra of molecules have been recorded between 4000-400 cm-1 region. The molecular geometry and vibrational frequencies of 2 and 3-methylpiperidine in the ground state have been calculated by using Density Functional method (B3LYP) with cc-pVQZ, 6-311++G(d,p) and 6-311G(d,p) as basis sets. The total energy distributions TED among the symmetry coordinates of the normal modes have computed for the the low energy structure of the molecule. Complete vibrational assingments have provided on the basis of the calculated TED values.

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BACKGROUNDLifestyle modifications are successfully employed to treat obese and overweight women with polycystic ovary syndrome (PCOS). The aims of the current pilot study were (i) to compare the efficacy on reproductive functions of a structured exercise training (SET) programme with a diet programme in obese PCOS patients and (ii) to study their clinical, hormonal and metabolic effects to elucidate potentially different mechanisms of action.METHODSForty obese PCOS patients with anovulatory infertility underwent a SET programme (SET group, n = 20) and a hypocaloric hyperproteic diet (diet group, n = 20). Clinical, hormonal and metabolic data were assessed at baseline, and at 12- and 24-week follow-ups. Primary endpoint was cumulative pregnancy rate.RESULTSThe two groups had similar demogra...

International Nuclear Information System (INIS)

Three new phases with compositions, LaSr_2FeTiO_7, NdSr_2FeTiO_7 and GdSr_2FeTiO_7, were prepared by the traditional ceramic method. Lazy-Pulverix analysis of the X-ray diffraction data suggests that the phases crystallize in the RP-type (n = 2) structure in the space group, I4/mmm. The cell dimensions along the c-axis decrease with decrease in size of the rare earth ions. Electrical resistivity, as a function of temperature, shows that the materials are insulators and the resistivity decreases with decrease in the size of the rare earth ion, which is attributed to increase in the three-dimensional character. (author)

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The luminescence spectra of trivalent europium ion embedded in various rare earth chromates were analysed. The spectroscopic data in most of chromates are in agreement with the structural determination but for some others the discrepancy between two methods is underlined. Energy level schemes were deducted from the experimental emission spectra and the crystal field simulation has been performed. The maximum splitting of the {sup 7}F{sub 1} manifold of the Eu{sup 3+} ion as a function of N{sub v}, the so-called crystal field strength parameter, is given. This allows us to classify the compounds according to their crystal field extent. (author) 11 refs, 8 figs, 2 tabs

British Library Electronic Table of Contents (United Kingdom)

Manual drilling in titanium structures is a tedious and labor-intensive work. To reduce man-hour requirements while concurrently improving hole quality, we developed a robotic drilling system for this application. The lean system contains the product holding fixture, the industrial robot, the end effector, the control and sensor system, and the offline programming. The system functions include locating workpiece with a calibration stick or the vision system, weld mark inspection, one-sided clamping, drilling and reaming hole in material stack combinations of titanium and aluminum, and real-time thrust force feedback. The positional accuracy and the repeatability of the system have successfully been placed within the specification?s 0.3?mm tolerance and 0.2?mm tolerance, respectively. The d...

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)

Potassium clusters arrayed in zeolite A are known to show ferromagnetic properties at low temperature. The origin of the spontaneous magnetization has been explained by a model of spin-canting in an antiferromagnetically ordered state. The direct information for the magnetic structure, however, has not been obtained so far. In the present work, we measure the neutron powder diffraction by using pulsed neutron source at KEK-KENS below and above the Curie temperature. No significant temperature-dependence was, however, obtained within the statistical errors, namely, magnetic scattering could not be detected separately. We also estimate the intensity of magnetic scattering by assuming some possible magnetic structures with considering the magnetic form factor of the cluster wave function. The intensity of magnetic scattering is estimated to be extremely weak and higher S/N of {approx}10{sup 4} or more is required to detect the ...

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Because the state of a free-floating space robot model is uncertain and sudden changes in the model parameters might undermine the stability of the system, this paper proposes a control strategy based on a variable structure neural integrated controller. This scheme does not need a precise space robot model, making use of the radial basis function neural network ability approach to learn about an uncertain model. The network weights are adjusted online in real-time. During the early period of the control phase and parameter changes, the variable structure controller compensates for the uncertain model which the neural network could not learn well. It also creates global asymptotic stability for the whole closed-loop system. Simulation results show that the controller can handle bad changea...

British Library Electronic Table of Contents (United Kingdom)

As evidence mounts that male genitalia can affect relative fertilisation success, the role that sexual selection has played in the rapid and divergent evolution of genitalia is becoming increasingly recognized. Unfortunately, the limited functional understanding of these complex structures and their interactions with the female reproductive tract often limit interpretation regarding their evolution. Here, we address this issue using the earwig Euborellia brunneri, where both the male intromittent organ and the female spermatheca are highly exaggerated in length yet structurally simple. In a double mating design, we use the sterile male technique to study how sperm precedence patterns are affected by male genital length, male age, and the size of the male sperm storage organ, the seminal ve...

Science.gov (United States)

It is shown that level-density expressions cannot adequately represent or substitute for level structure information when making calculations of the Hauser-Feshbach type for cross sections or isomer-ratios for nuclei in the first few MeV above their ground state. It is stated that such discrete level information should include both experimentally confirmed and theoretically predicted levels. The utility of discrete level information to optimize level density calculations, to compute isomer ratios, in deriving dipole strength functions, and in the analysis of primary gamma ray spectra is emphasized, especially for nuclei far from the line of stability. 29 refs., 12 figs., 6 tabs. (DWL)

Energy Technology Data Exchange (ETDEWEB)

This study estimates the electricity demand function for the residential sector of South Korea with the aim of examining the effects of improved energy efficiency, structural factors and household lifestyles on electricity consumption. In the study, time series data for the period from 1973 to 2007 is used in a structural time series model to estimate the long-term price and income elasticities and annual growth of underlying energy demand trend (UEDT) at the end of the estimation period. The result shows a long-term income elasticity of 1.33 and a long-term price elasticity of -0.27% with -0.93% as the percentage growth of UEDT at the end of the estimation period. This result suggests that, in order to encourage energy efficiency in the residential sector, the government should complement the market based pricing policies with non-market policies such as minimum energy efficiency standards and public enlightenment. ...

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Purpose - Based upon the E-VALUE model developed, this paper aims to investigate the impact of e-commerce usage on business performance in the tourism sector. Design/methodology/approach - A cross-sectional survey is carried out on 165 Malaysian firms involved in the tourism sector (hotels, resorts, and hospitals engaged in health tourism) through the use of a structured questionnaire. Findings - The structural equation modeling results indicate that technology competency, firm size, firm scope, web-technology investment, pressure intensity, and back-end usage have significant influence on e-commerce usage. Among these variables, back-end integration is found to function as a mediator. E-commerce experience (in years) is found to moderate the relationship between e-commerce usage and busin...

International Nuclear Information System (INIS)

Deformations of topological open string theories are described, with an emphasis on their algebraic structure. They are encoded in the mixed bulk-boundary correlators. They constitute the Hochschild complex of the open string algebra - the complex of multilinear maps on the boundary Hilbert space. This complex is known to have the structure of a Gerstenhaber algebra (Deligne theorem), which is also found in closed string theory. Generalising the case of function algebras with a B-field, we identify the algebraic operations of the bulk sector, in terms of the mixed correlators. This gives a physical realisation of the Deligne theorem. We translate to the language of certain operads (spaces of d-discs with gluing) and d-algebras, and comment on generalisations, notably to the AdS/CFT correspondence. The formalism is applied to the topological A- and B-models on the disc. (author)

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The availability of dimeric Pt(I) complexes with bridging bis(diphenylphosphino)methane ligands, (L--L')/sup n+/, presents an opportunity to study the physical properties and reactivity of metal-metal bonds as a function of the ligand trans to it with a minimum of competing variables. Several interesting trends of Pt-P coupling constants with the Pt-L and Pt-Pt bond lengths in Pt(I) dimers, (L--L')/sup n+/, and structurally related Pt(II) complexes are reported here. The data indicate that the Pt-P coupling constants continue to be sensitive indicators of not only the structure and stereochemistry of platinum phosphine complexes but also the electronic and steric influences of the ligand in such complexes, 23 references, 1 figure, 4 tables.

International Nuclear Information System (INIS)

Accurate full-potential self-consistent linearized augmented-plane-wave (FLAPW) calculations have been carried out for hexagonal boron nitride. The resulting energy-band structure indicates that this material is an indirect-gap insulator and shows the existence of two unoccupied interlayer bands, similar to those found in graphite and graphite intercalation compounds. Chemical bonding is mainly covalent, with a small charge transfer towards the nitrogen atoms. Moreover, model-potential calculations, based on first-principles FLAPW wave functions and potentials, have been used to study slabs of thickness up to 35 layers. Contrary to the case of graphite, our results do not provide evidence of surface states associated with the interlayer bands.

International Nuclear Information System (INIS)

Full - grown pupae of the cotton leaf worm Spodoptera littorals (Boisd.) were gamma - irradiated with low doses of 25,50,75, or 100 Gy for male line and with 50 or 100 Gy for female line . The effects on reproduction, development and sex ratio were the biological aspects studied among P1,F1,F2 and F 3 generations . Also, the effects of dose accumulation applied grown male pupae through two or three filial generations and the retarded influence on their F1,F2,and F 3 progeny were examined. In another trial the histological examinations for ovaries and testes of irradiated parents and for their generation were made . The F1 males were more sterile than irradiated parental males while F1 females were more fertile than their irradiated parental females. Irradiation of P1 males did not clearly affect neither the percentage of mated females nor the average number of spermatophores per mated female among the ...

International Nuclear Information System (INIS)

The detailed electronic energy band structure of hexagonal close-packed #alpha#-zirconium, corresponding to the atomic configuration of 4d"25s"2 of its four outermost valence electrons, has been computed by the composite-wave variational version of the augmented-plane-wave(APW) method in conjunction with the X#alpha#(#alpha# = 0.70424) exchange approximation for obtaining the potentials. From these data the electronic density of states and its angular-momentum-decomposed components have been obtained by the Raubenheimer-Gilat method. These quantities are required in order to calculate the electron-phonon interaction parameter (lambda) and the superconducting transition temperature (Tsub(c)) within the framework of the theories of Gaspari and Gyorffy and McMillan. A study of the variation of Tsub(c) with the Coulomb pseudopotential (#mu#*) revealed that #mu#* = 0.1 yields the best agreement between theory and experiment for #alpha#-Zr. Also studied from the energy ...

Energy Technology Data Exchange (ETDEWEB)

New measurements of the spin structure functions of the proton and deuteron g{sub 1}{sup p}(x, Q{sup 2}) and g{sub 1}{sup d}(x, Q{sup 2}) in the nucleon resonance region are compared with extrapolations of target-mass-corrected next-to-leading-order (NLO) QCD fits to higher energy data. Averaged over the entire resonance region (W < 2 GeV), the data and QCD fits are in good agreement in both magnitude and Q{sup 2} dependence for Q{sup 2} > 1.7 GeV{sup 2}/c{sup 2}. This ''global'' duality appears to result from cancellations among the prominent ''local'' resonance regions: in particular strong {sigma}{sub 3/2} contributions in the {Delta}(1232) region appear to be compensated by strong {sigma}{sub 1/2} contributions in the resonance region centered on 1.5 GeV. These results are encouraging for the extension of NLO QCD fits to lower W and Q{sup 2} than have been used ...

International Nuclear Information System (INIS)

Human complement protein C9 is shown to be a metalloprotein that binds 1 mol of Ca"2"+/mol of C9 with a dissociation constant of 3 #mu#m as measured by equilibrium dialysis. Incubation with EDTA removes the bound calcium, resulting in a apoprotein with decreased thermal stability. This loss in stability leads to aggregation and, therefore, to loss of hemolytic activity upon heating to a few degrees above the physiological temperature. Heat-induced aggregation of apoC9 can be prevented by salts that stabilize proteins according to the Hofmeister series of lyotropic ions, suggesting that the ion in native C9 may ligand with more than one structural element of domain of the protein. Ligand blotting indicates that the calcium binding site is located in the amino-terminal half of the protein. Removal of calcium by inclusion of EDTA in assay mixtures has no effect on the hemolytic activity of C9, and its capacity to bind to C8 in solution, or to small unilamellar lipid ...

International Nuclear Information System (INIS)

A tri-functional polyhedral oligomeric silsesquioxane (POSS) based silane precursor R_xR_yR_z(SiO_3_/_2)_n (x + y + z = n = 6, 8, 10, ...) bearing 3-(N-(3-triethoxysilylpropyl)ureido)propyl, isooctyl and perfluoropropyl groups was synthesized and investigated as corrosion protective coating for AA 2024 alloy. Infrared reflection-absorption (IR RA) combined with X-ray photoelectron spectroscopy and atomic force microscopy provided information about partial self-assembling of coatings having a fluorine enriched upper layer with a low surface energy (#gamma#"t"o"t = 12.37 mN/m). The structural changes that accompanied corrosion produced under chronocoulometrical conditions were assessed from ex-situ IR RA spectra. A new band at 1690-1700 cm"-"1 appeared above the corrosion potential, and was assigned to the formation of amidonium ions and consequent relaxation of urea-urea associations.

Energy Technology Data Exchange (ETDEWEB)

The purpose is to describe problems associated with the establishment of vegetation on mined lands and practical rehabilitation and restoration methods for establishing a rehabilitation plan. Land disturbed by mining should be restored to its original state, when the mine is decommissioned, but before that can be attained, site problems such as toxicity, moisture supply, and texture must be rectified. The land may need to pass through several conditioning stages, and links need to be formed to maintain a functioning ecosystem. A key aspect to rehabilitation is the need to increase the organic matter content of the substrate. This improves soil structure, increases the moisture holding ability, and provides a pool for nutrient cycling. 11 refs., 2 tabs.

Energy Technology Data Exchange (ETDEWEB)

We analyse several amorphous Pdsub(1-x)Sisub(x) alloys obtained by simulation. The metalloid atoms environments can be studied in the same way as that described in the first paper of this series. The main part of this paper is devoted to the evolution of the density as a function of the concentration. In order to interpret the values obtained by the simulation, we develop two models: the first one assumes a complete disorder: the second one, which is shown to be better, assumes a tendency to a local ordering: Si atoms are assumed to have only Pd neighbours.

Energy Technology Data Exchange (ETDEWEB)

Thomas Jefferson National Accelerator Facility experiment E01-012 measured the 3He spin structure functions and virtual photon asymmetries in the resonance region in the momentum transfer range 1.0 < Q2 < 4.0 (GeV/c)2. Our date, when compared with existing deep inelastic scattering data, can be used to test quark-hadron duality in g1 and A1 for 3He and the neutron. Preliminary results for A{sub 1}{sup {sup 3}He} are presented, as well as some details about the experiment.

British Library Electronic Table of Contents (United Kingdom)

Abstract Reticulate pattern is one of the most important dermatological signs of a pathological process involving the superficial vascular networks. Vascular malformations, such as cutis marmorata congenita telangiectasia and benign forms of livedo reticularis, and sinister conditions, such as meningococcal meningitis or Sneddon's syndrome, can all present with a reticulate pattern. The clinical presentation and morphology is determined by the nature and extent of the underlying pathology and the involvement of a particular vascular network. This review has been divided into four instalments. In the present paper, we discuss the anatomy and physiology of the complex network of vascular structures that support the function of the skin and subcutis.

International Nuclear Information System (INIS)

Using the slow electrons spectrometer one can get information on the surface structure, its element composition, chemical bonds, adsorption phenomena, electron state density and surface oscillation. We have developed the methods and created the apparatus that makes it possible to investigate the electron backscattering by solid surface. We have studied the electron scattering by the polycrystalline and monocrystalline. GaAs surface in the energy range of 0 to 9 eV. The FWHM of electron energy distribution function was 70 meV. (author).

International Nuclear Information System (INIS)

This paper shows that a stochastic regime-switching model can represent the volatile behavior of wholesale electricity prices associated with price spikes effectively. The structure of the model is very flexible because the mean prices in the two regimes and the two transition probabilities are functions of the load and/or the implicit reserve margin. Using price data from the single settlement market in PJM (May 1999 to May 2000), the results show that the estimated switching probability from the low to the high regime predicts price spikes well if the reserve margin is measured accurately.

International Nuclear Information System (INIS)

The numerical analysis of the experimental data on viscosity change by time in the period after fast heating and crystal-liquid phase transition for the copper nonequilibrium melts and the Fe_7_0Cr_1_0P_1_3C_7 glass-forming melt near their melting temperatures is accomplished through the method of correlation functions and the Rytov-Dimentberg criterion. The observed dependences have nonmonotonic oscillating character but they do not relate to auto-oscillations. The proposed theoretical model of the properties oscillations origination by relaxation in the nonequilibrium liquids explains them as manifestation of noise-induced transitions in the metastable area near the critical temperatures (melting, structural transitions)

International Nuclear Information System (INIS)

The post (neutron) -irradiation high-temperature tensile and creep-rupture properties, deformation and fracture characteristics of austenitic alloys, particularly solution annealed Type 316 steel, are surveyed and correlated with the damage structures developed as a function of irradiation temperature (and dose). The mechanisms proposed to explain the irradiation-induced changes in properties and behaviour are summarised. The factors responsible for the observed differences in the post-irradiation and 'in-reactor' creep-rupture properties and behaviour of an austenitic steel are discussed in terms of the helium gas and stress driven growth of small intergranular bubbles and the atom plating associated with their growth and coalescence. (author).

International Nuclear Information System (INIS)

Secondary-electron emission (SEE) spectra have been obtained with the Scanning Probe Energy Loss Spectrometer at a tip-sample distance of only 50 nm. Such short working distances are required for the best theoretical spatial resolution (<10 nm). The SEE spectra of graphite, obtained as a function of tip bias voltage, are shown to correspond to unoccupied states in the electronic band structure. The SEE spectra of thin gold films demonstrate the capability of identifying (carbonaceous) surface contamination with this technique.

International Nuclear Information System (INIS)

Glow discharge plasma nitriding of AISI 304 austenitic stainless steel has been carried out for different processing time under optimum discharge conditions established by spectroscopic analysis. The treated samples were analysed by X-ray diffraction (XRD) to explore the changes induced in the crystallographic structure. The XRD pattern confirmed the formation of an expanded austenite phase (#gamma#_N) owing to incorporation of nitrogen as an interstitial solid solution in the iron lattice. A Vickers microhardness tester was used to evaluate the surface hardness as a function of indentation depth (#mu#m). The results showed clear evidence of surface changes with substantial increase in surface hardness.

CERN Document Server

We present results for a complete set of polarization observables for jet production in lepton proton collision, where the final state lepton is not observed. The calculations are carried out in collinear factorization at the level of Born diagrams. For all the observables we also provide numerical estimates for typical kinematics of a potential future Electron Ion Collider. On the basis of this numerical study, the prospects for the transverse single target spin asymmetry are particularly promising. This observable is given by a certain quark-gluon correlation function, which has a direct relation to the transverse momentum dependent Sivers parton distribution.

British Library Electronic Table of Contents (United Kingdom)

Purpose Study the radiolysis of solid-state metoclopramide hydrochloride at various absorbed doses. Elucidate the structure of the degradation products to gain information on the radiolysis mechanisms. Methods Solid-state metoclopramide samples were irradiated at several doses with gamma rays and high-energy electrons to evaluate the influence of the dose rate. High-performance liquid chromatography with a diode array detector was used to measure the chemical potency as a function of the absorbed dose and to quantify the degradation products. The characterization of degradation products was performed by liquid chromatography/atmospheric pressure chemical ionization/tandem mass spectrometry. Results The degradation of solid-state metoclopramide after irradiation was negligible. No qualitati...

Energy Technology Data Exchange (ETDEWEB)

Significantly improved immunity to hot-hole damage of the SiO[sub 2]/Si structure is achieved by a shallow fluorine implantation into the poly-Si gate of MOS capacitors followed by a drive-in process. Compared to the nonfluorinated control, the fluorinated samples exhibit a dramatic reduction of both hole trapping probability and interface-trap generation under avalanche hole injection conditions. The degree of such an improvement increases monotonically as a function of the F implantation dose (up to 10[sup 16]/cm[sup 2]). Significant decrease of the hole detrapping rate is also observed in fluorinated samples. Possible mechanisms are discussed.

International Nuclear Information System (INIS)

Extended X-ray absorption fine structure (EXAFS) measurements of bismuth clusters in the temperature range of 23 -300 K have been performed using synchrotron radiation in order to investigate the size dependent phase transition. The inter-atomic distances around 3.0 A and 3.6 A are attributed to the nearest neighbors within the layer and between layers, respectively. EXAFS functions were analysed by the curve fitting method within a symmetric distribution approximation. The nearest neighbor distance of the 0.5 nm thick films is shorter than that of the 300 nm thick films at all the temperatures, which is related to the reduction of the inter-layer correlation.

Energy Technology Data Exchange (ETDEWEB)

The DNA Wideband satellite experiment provided extensive data on scintillation produced in high-altitude structured plasmas. A computer program, WBMOD, is being developed to summarize those data in an applications-oriented way. The program contains the phase-screen scattering theory of Rino and a morphological description of ionospheric irregularities (thus far only at auroral latitudes) based on Wideband observations. It permits a user to compute scintillation indices for both phase and intensity as a function of system operating parameters and solar-ionospheric disturbance level. Correction is made for multiple scatter, and the user may choose either one-way (communication) or two-way (radar) propagation.

International Nuclear Information System (INIS)

In the scope of the nuclear plants lifetime study, the behavior of the cooling towers is discussed. The main geometrical characteristics of the cooling towers in the French nuclear power plants, are presented. The surveyance program, the risks of accident, the research and development actions are considered. The results of the investigations of the cooling tower structure show that it is a multidiciplinary problem and needs the development of experimental and theoretical methods. Concerning the regenerators, the surveyance actions under operating conditions, the accelerated aging tests, and some aspects of the mechanical resistance, are underlined. It is shown that mainly the creep tests will allow the lifetime estimation of the materials developed for the regenerators.

British Library Electronic Table of Contents (United Kingdom)

The subband structure and optical properties of a cylindrical quantum well wire under intense non-resonant laser field are investigated by taking into account the correct dressing effect for the confinement potential. The energy levels and wave functions are calculated within the effective mass- approximation using a finite element method. It is found that the absorption coefficient and the saturation intensity are strongly affected by the laser amplitude and frequency as well as by the incident light polarization. As a key result, a large anisotropy in the linear and nonlinear optical absorptions for very intense laser field is predicted. These effects can be useful for the design of polarization sensitive devices.

Energy Technology Data Exchange (ETDEWEB)

This paper describes a new approach to development of software for highly integrated software-hardware systems such as used for data acquisition and control. This approach, called the Object Oriented Software Bus (OSB), is a way to develop software according to a common specification similar to the way interface hardware has been developed since the advent of bus structures for minicomputers and microcomputers. Key concept of the OSB is extension of the common use of objects to support user interface and data analysis functions to the development of software objects that directly correspond to real- world hardware interfaces and modules.

British Library Electronic Table of Contents (United Kingdom)

The acoustic hyperlens can be realized by an alternating layered structure of water and fluid with negative mass density. Based on this alternating layered principle, we propose that an acoustic metamaterial consisting of three layers in water background can be designed to replace the fluid with negative mass density. The effective mass density and bulk modulus of the system which is composed of acoustic metamaterial and water are functions of the frequency. The effective mass density of such a system is close to the negative mass density of the fluid at a specific frequency; thus an acoustic metamaterial hyperlens can be achieved.

Energy Technology Data Exchange (ETDEWEB)

Physiological functions are carried out by differentiated cells, with finite lifespans, which age and need to be replaced. In young individuals, tissue functions are sustained at optimal levels because cellular dysfunction and cell loss are balanced by the emergence of newly differentiated cells as stem cells and their partially differentiated descendants replicate. However, with the passage of time the mitotic rates of these cells diminish. Eventually, replications occur too infrequently to offset the loss. It is at this point that the tissue begins to show structural changes and declining function which, as they become pervasive, are identified as ageing. In this paper the theory is set forth that: (1) Diminishing mitotic activity in older tissues results from limited stem cell replicative capacity. (2) All stem cells, regardless of tissue, exhibit similar replicative patterns over time, progressing ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Fully relativistic full-potential density functional calculations with an all-electron linearized augmented plane wave plus local orbitals method have been performed to investigate the electronic and geometric structures of atomic carbon, nitrogen, and oxygen chemisorption on the (1 0 0) surface of #delta#-Pu. For all chemisorption processes, the center adsorption site is found to be the most preferred site with chemisorption energies of 7.964, 7.665, and 8.335 eV for the C, N, and O adatoms, respectively. The respective optimized distances of the C, N, and O adatoms from the surface were found to be 0.26, 0.35, and 0.48 A. The work functions and the net magnet moments, respectively, increased and decreased in all cases compared with the bare #delta#-Pu (1 0 0) surface. In particular, the work function shift is largest for the least preferred top site and lowest for the most preferred center site. A ...

International Nuclear Information System (INIS)

Monitoring nuclear plants components enable to save on operation and maintenance costs by reducing incidents gravity and casual plant stoppages thank to early detection and fast diagnosis. Improving the knowledge of the behaviour of the plant will also allow to optimize maintenance and to increase plant life. In order to improve monitoring and diagnosis capabilities in nuclear power plants. Electricite de France (EDF) is extending the existing data processing chains towards automatic aided interpretation and diagnosis. Therefore, EDF has designed an integrated monitoring and diagnosis assistance system: PSAD-Poste de Surveillance et d'Aide au Diagnostic, including several monitoring functions of the main components. It integrates on-line monitoring, off-line diagnosis and knowledge based systems. PSAD stations provide homogeneous aids to diagnosis which enable plant personnel to pinpoint the mechanical behaviour of plant equipment. The objective of PSAD is to ...