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

International Nuclear Information System (INIS)

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

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

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

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Energy Technology Data Exchange (ETDEWEB)

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

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

Energy Technology Data Exchange (ETDEWEB)

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

UK PubMed Central (United Kingdom)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The structure of ammonium azide (NH_4)N_3 was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A"3; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

Science.gov (United States)

Ab initio lattice dynamics based on linear response method are performed for high pressure phase of yttrium to describe electron-phonon coupling and subsequent superconducting behavior. The critical temperature Tc in fcc-Y increases monotonically with pressure up to 9.25 K at 31 GPa, which is quantitatively in excellent agreement with two quasihydrostatic experiments and is qualitatively compatible with recent experiments. The excellent agreement with experiments gives us a better understanding of the effective pseudopotential ?* as well as spectral function ?2(?)F(?) in yttrium. These results demonstrate that there exists strong electron-phonon coupling in Y within the studied pressure regime, and for lower pressure electron correlation becomes stronger. Generally, it is found that superconductivity in yttrium under pressure can be described quantitatively within standard theory of phonon-mediated superconductivity.

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

UK PubMed Central (United Kingdom)

Model phosphate-metal solvation complexes have been studied by ab-initio self-consistent-field techniques. The complexes studied include (RO)2PO2-(R = H or CH3) with Li+, Na+, K+, Be++, Mg++, Ca++,...Full Text Available

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

CERN Document Server

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

CERN Document Server

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

A first-principles quasiparticle approach to the electronic excitation energies in crystals and at surfaces is described. The quasiparticle energies are calculated within the GW approximation for comparison with photoemission and other spectroscopic experiments. Applications of the method to bulk semiconductors and the Si(111)2[times]l, Ge(111)2[times]l. and H/Si(III) surfaces are presented. In both cases, significant self-energy corrections arising from many-electron effects to the excitation energies are found. Using atomic positions from total energy minimization, the calculated excitation energies explain quantitatively the experimental spectra. This approach thus provides an ab initio means for analyzing and predicting results from spectroscopic probes.

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

A systematic study for the materials design of III-V and II-VI compound-based ferromagnetic diluted magnetic semiconductors is given based on ab initio calculations within the local spin density approximation. The electronic structures of 3d-transition-metal-atom-doped GaN and Mn-doped InN, InP, InAs, InSb, GaN, GaP, GaAs, GaSb, AlN, AlP, AlAs and AlSb were calculated by the Korringa-Kohn-Rostoker method combined with the coherent potential approximation. It is found that the ferromagnetic ground states are readily achievable in V-, Cr- or Mn-doped GaN without any additional carrier doping treatments, and that InN is the most promising candidate for high-T_C ferromagnet. A simple explanation of the systematic behavior of the magnetic states in III-V and II-VI compound-based diluted magnetic semiconductors is also given. It is also shown that V or Cr-doped ZnS, ZnSe, and ZnTe are ferromagnetic without p- or n-type doping treatment. However, Mn-, ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The effects of hydrostatic pressure on the electronic band structure of the semiconductor mineral iron pyrite FeS_2 have been investigated theoretically by an ab initio full-potential linearized-augmented plane wave (FPLAPW) method within a local approximation (LDA/GGA) to the density functional theory. The calculations predict that at a pressure of 94.1 GPa the indirect band gap of pyrite FeS_2 vanishes and the material becomes a metal. This is due to the presence of the S-S and Fe-S bonds, which provide novel energy band distortions in the process of attaining the metallic state. Analysis indicates that, under increasing high pressure, the conduction bands (3p_z of sulfur and 3d_x_"2_-_y_"2+3d_x_y of iron) intrude downwards into the valence bands, which are predominantly 3d in nature. At normal pressure, the lattice constant, the bulk modulus, sulfur position parameter u, S-S bond length, and the indirect band gap of pyrite FeS_2 are ...

Energy Technology Data Exchange (ETDEWEB)

From the crystal field analysis of optical absorption spectra on monoclinic S.G. P2{sub 1}/c MgNd(BO{sub 2}){sub 5}, where Nd{sup 3+} occupies a single crystallographic position with no symmetry elements, energy level schemes and an expression of the associated wavefunctions for the 4f{sup 3} configuration of Nd{sup 3+} have been derived, considering approximate C{sub 2v} and C{sub s} (C{sub 2}) symmetries. Despite of the low symmetry of Nd{sup 3+}, resulting rms deviations between calculated and experimental levels are very satisfactory. The composition of the crystal field wavefunctions from both sets of phenomenological free-ion and crystal field parameters has been checked through a calculation of the thermal evolution of the paramagnetic susceptibility {chi}, according to the Van Vleck formula. The same simulation was performed with crystal field parameters (CFPs) resulting from the ab initio simple overlap model (SOM), considering the ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Ab initio total energy calculations within the framework of density functional theory have been performed for atomic hydrogen and oxygen chemisorption on the (0001) surface of double hexagonal packed (dhcp) americium using a full-potential all-electron linearized augmented plane wave plus local orbitals method. Chemisorption energies were optimized with respect to the distance of the adatom from the relaxed surface for three adsorption sites, namely top, bridge, and hollow hcp sites, the ad-layer structure corresponding to the coverage of a 0.25 monolayer in all cases. Chemisorption energies were computed at the scalar-relativistic level (no spin-orbit coupling NSOC) and at the fully relativistic level (with spin-orbit coupling SOC). The two-fold bridge adsorption site was found to be the most stable site for O at both the NSOC and SOC theoretical levels with chemisorption energies of 8.204 eV and 8.368 eV respectively, while the three-fold ...

International Nuclear Information System (INIS)

Becchetti's reply to the preceding ''Comment on "4H clustering in lithium nuclei''.

Energy Technology Data Exchange (ETDEWEB)

An essential issue in gallium (Ga)-stabilized fcc-phase plutonium ({delta}-Pu) is the formation of helium (He) voids and bubbles emanating from the radiolytic decay of the Pu. The rate of formation of He voids and bubbles is related to the He-defect formation energies and their associated migration barriers. The size and shape distributions of the bubbles are coupled to these critical migration processes. The values of the defect formation energies, internal pressure, and migration barriers can be estimated from atomistic calculations. Complicating this picture is the destruction of He-filled voids and bubbles by subsequent radiolytic decay events. The present study concerns the construction of the necessary potential energy surfaces for the Pu-He and He-He interactions within the modified embedded atom method (MEAM). Once fully tested, the potentials will be used to estimate the He-defect formation energies and barriers to the migration of these defects for both interstitial and ...

CERN Document Server

Problem statement: Clustering has a number of techniques that have been developed in statistics, pattern recognition, data mining, and other fields. Subspace clustering enumerates clusters of objects in all subspaces of a dataset. It tends to produce many over lapping clusters. Approach: Subspace clustering and projected clustering are research areas for clustering in high dimensional spaces. In this research we experiment three clustering oriented algorithms, PROCLUS, P3C and STATPC. Results: In general, PROCLUS performs better in terms of time of calculation and produced the least number of un-clustered data while STATPC outperforms PROCLUS and P3C in the accuracy of both cluster points and relevant attributes found. Conclusions/Recommendations: In this study, we analyze in ...

KoreaScience (Korea)

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UK PubMed Central (United Kingdom)

Abs are central to malaria immunity, which is only acquired after years of exposure to Plasmodium falciparum (Pf). Despite the enormous worldwide burden of malaria,...Full Text Available

International Nuclear Information System (INIS)

Complete text of publication follows. We have published on the spectroscopic study on the formation of a 1:1 molecular complex of fluoranthene (F) with benzene (B) in cyclohexane and estimated the equilibrium constant K(F-B) (0.147 dm3 mol-1 at 298 K), enthalpy change DH(F-B) (-5.9 kJ mol-1) and entropy change DS(F-B) (-36 JK-1mol-1 at 298 K) for this complex formation (S. Enomoto et al., Bull. Chem. Soc. Jpn., 75 (2002) 689-693). In this study, the electronic absorption spectra have been observed for the fluoranthene derivatives in cyclohexane-benzene and/or cyclohexane-ethanol mixed solvents to investigate the weak intermolecular interactions between fluoranthene derivatives and benzene or ethanol. The electronic absorption spectra of 3-aminofluoranthene (AF) in the mixed solvent mentioned above showed isosbestic points with varying B and ethanol (E) concentrations. These observations indicate that AF forms a 1:1 molecular complex with B or E, the K(AF-B) and K(AF-E) values for these ...

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In this study, the biosorption of Acid Blue 290 and Acid Blue 324 on Spirogyra rhizopus, a green algae growing on fresh water, was studied with respect to initial pH, temperature, initial dye concentration and biosorbent concentration. The optimum initial pH and temperature values for AB 290 and AB 324 biosorption were found to be 2.0, 30 deg. C and 3.0, 25 deg. C, respectively. It was observed that the adsorbed AB 290 and AB 324 amounts increased with increasing the initial dye concentration up to 1500 and 750 mg/L, respectively. The Langmuir, Freundlich, Redlich-Peterson and Koble-Corrigan isotherm models were applied to the experimental equilibrium data and the isotherm constants were determined by using Polymath 4.1 software. The monolayer coverage capacities of S. rhizopus for AB 290 and AB 324 dyes were found as 1356.6 mg/g and 367.0 mg/g, respectively. ...

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

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BackgroundThe search for cluster structure in microarray datasets is a base problem for the so-called "-omic sciences". A difficult problem in clustering is how to handle data with...Full Text Available

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The dynamics of a cluster-type system formed by constant total number of molecules, M, is studied when clusters change their sizes by nearest-size transitions (the Szilard model) with time-dependent boundary conditions and non-zero initial cluster size distribution. We compare these results to those reported previously, when non-stationary cluster size distribution was considered under the condition that only monomers are present in the system at the initial moment t=0, and describe the effect of arbitrary pre-existing clusters on the time evolution of the interacting clusters with different sizes, n. The average group size problem is also solved, and the process of relaxation in the system is studied. authors)

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

CERN Document Server

{The determination of cluster masses is a complex problem that would be aided by information about the cluster shape and orientation (along the line-of-sight).} {It is in this context, that we have developed a scheme for identifying the intrinsic morphology and inclination of a cluster, by looking for the signature of the true cluster characteristics in the inter-comparison of the different deprojected emissivity profiles (that all project to the same X-ray brightness distribution) and by using SZe data when available.} {We deproject the cluster X-ray surface brightness profile under the assumptions of four different geometry and inclination configurations for the observed system; these 4 configurations correspond to four extreme geometry+inclination scenarios. The deprojection in question is performed by the non-parametric algorithm DOPING. The formalism is tested with model ...

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In this paper we have investigated the performance of PSO Particle Swarm Optimization based clustering on few real world data sets and one artificial data set. The performances are measured by two metric namely quantization error and inter-cluster distance. The K means clustering algorithm is first implemented for all data sets, the results of which form the basis of comparison of PSO based approaches. We have explored different variants of PSO such as gbest, lbest ring, lbest vonneumann and Hybrid PSO for comparison purposes. The results reveal that PSO based clustering algorithms perform better compared to K means in all data sets.

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Kinetic Monte Carlo (KMC) computer simulations are performed to determine the kinetics of SIA cluster 'clouds' in the vicinity of edge dislocations. The simulations include elastic interactions amongst SIA clusters, and between clusters and dislocations. Results of KMC simulations that describe the formation of 'SIA clouds' during neutron irradiation of bcc Fe and the corresponding evolution kinetics are presented, and the size and spatial distribution of SIA clusters in the cloud region are studied for a variety of neutron displacement damage dose levels. We then investigate the collective spatio-temporal dynamics of SIA clusters in the presence of internal elastic fields generated by static and mobile dislocations. The main features of the investigations are: (1) determination of the kinetics and spatial extent of defect clouds near static dislocations; (2) assessment of the ...

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

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The size distributions of precipitated Ni clusters on the surface of a LaNi_5-based alloy immersed in alkaline solution (alkaline treatment) at 383 K for 0-110 min were precisely determined by combining superparamagnetic analysis and transmission electron microscopy (TEM) observations. The superparamagnetic analysis indicated that the diameters of the Ni clusters were smaller than #approx#25 nm in all samples, while their average values increased approximately from 5 to 9 nm with increasing alkaline treatment time. The spatial distribution of the Ni clusters was successively observed by TEM, which agreed fairly well with the estimated size distribution by superparamagnetic analysis. Therefore, estimation of the actual size distribution of Ni clusters by superparamagnetic analysis was proved to be feasible. Based on the above results, a precipitation process for Ni clusters by ...

CERN Document Server

With the advancement of technology and reduced storage costs, individuals and organizations are tending towards the usage of electronic media for storing textual information and documents. It is time consuming for readers to retrieve relevant information from unstructured document collection. It is easier and less time consuming to find documents from a large collection when the collection is ordered or classified by group or category. The problem of finding best such grouping is still there. This paper discusses the implementation of k-Means clustering algorithm for clustering unstructured text documents that we implemented, beginning with the representation of unstructured text and reaching the resulting set of clusters. Based on the analysis of resulting clusters for a sample set of documents, we have also proposed a technique to represent documents that can further improve the ...

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Context. Study of open clusters is important not only for learning properties of these objects but also for understanding the process of formation and evolution of stars and the Milky Way. Aims. The paper contains determination of the global (geometrical and physical) characteristics of a large sample of Galactic open clusters from homogeneous near-infrared photometric data and analysis of mutual relations between those characteristics. Methods. The near-infrared JHK photometric data from the 2-Micron All Sky Survey were used to determine new coordinates of the centres, angular sizes and radial density profiles of 849 open clusters in the MilkyWay. Additionally, for 754 of these clusters age, reddening, distance and linear sizes were also derived. The sample contains 140 open clusters which have not been studied before. Results. The analysed sample contains open ...

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The dependence of the rms radius of the deuteron cluster in /sup 6/Li on the relative d-..cap alpha.. momentum was investigated on the basis of the three-body wave function given by Rai, Lehman, and Ghovanlou.

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The solvation properties of a chlorine ion in small water clusters are investigated using state-of-the-art statistical mechanics. The simulations employ the polarizable water model developed recently by Dang [J. Chem. Phys. [bold 97], 2659 (1992)]. The ion--water interaction potentials are defined such that the successive binding energies for the ionic clusters, and the solvation enthalpy, bulk vertical binding energy, and structural properties of the aqueous solution agree with the best available results obtained from experiments. Simulated vertical electron binding energies of the ionic clusters Cl[sup [minus

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PMID:21910487

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The Si-L X-ray emission spectrum of amorphous hydrogenated silicon (a-Si:H) is presented and discussed. For a qualitative interpretation of the measured spectra cluster calculations of pure Si clusters (SiSi4) and Si clusters with hydrogen (SiSi3H) have been performed using a simplified LCAO-X scheme. In general the level shifts caused by introduction of hydrogen are small compared with the valence band width.

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We study by means of Quantum Monte Carlo simulations based on the Worm Algorithm the low temperature (down to T = 0.05 K) properties of parahydrogen clusters comprising up to 40 molecules. Three different intermolecular interactions are employed: the Silvera-Goldman, the Buck and the Lennard-Jones potential. Despite important discrepancies observed in the numerical estimates of energy and superfluid fraction, the mechanism by which clusters melt at low T is independent of the particular choice of the potential, whose only effect is to alter the temperature scale.

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In this contribution we compare the electron scattering processes observed in pure O_2 clusters and mixed clusters like O_2/Ne, O_2/Ar and O_2/N_2. The overlap and positions of the potential curves of O_2 states show the different possible electron attachment processes and also explain the formation of O_2 in clusters. (author).

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

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

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UBVI CCD photometry of NGC 2353 is obtained as part of the "Sejong Open cluster Survey" (SOS). Using the photometric membership criteria we selelct probable members of the cluster. We derive the reddening and distance to the cluster, i.e. E(B-V) = 0.10 +/- 0.02 mag and 1.17 +/- 0.04 kpc, respectively. We find that the projected distribution of the probable members on the sky is elliptical in shape rather than circular. The age of the cluster is estimated to be log(age)=8.1 +/- 0.1, older than what was found in previous studies. The minimum value of binary fraction is estimated to be about 48 +/- 5 percent from a Gaussian function fit to the distribution of the distance moduli of the photometric members. Finally, we also obtain the luminosity function and the initial mass function (IMF). The slope of the IMF is Gamma = -1.3 +/- 0.2.

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We present constraints on theoretical models of Type Ia SNe using spatially resolved ASCA X-ray spectroscopy of four galaxy clusters: Abell 496, Abell 2199, Abell 3571 & Perseus. All four clusters have central Fe abundance enhancements and an ensemble of abundance ratios are used to show that most of the Fe in the central regions of the clusters comes from SN Ia. At the center of each cluster, simultaneous analysis of spectra from all ASCA instruments shows that the Ni to Fe abundance ratio (normalized by the solar ratio) is ~ 4. We use the Ni/Fe ratio as a discriminator between SN Ia explosion models: the Ni/Fe ratio of ejecta from the "Convective Deflagration" model W7 is consistent with the observations, while those of "delayed detonation" models are not consistent at the 90% confidence level.

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

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

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

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Air conditioning of urban electric cars by Peltier effect is simulated. Advantages (noise, simplicity of construction and of regulation, good heating performances...) and disadvantages (cooling performances lower than actual compressors, actual costs...) are presented. (A.B.). 8 refs., 5 figs.

UK PubMed Central (United Kingdom)

A DNA fragment located on the 3' side of the Coxiella burnetii htpAB operon was determined by Southern blotting to exist in approximately 19 copies in the Nine Mile I genome. The DNA sequences of this...Full Text Available

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Using the Sloan Digital Sky Survey (SDSS) and the FIRST (Faint Images of the Radio Sky at Twenty Centimeters) catalogs, we examined the optical environments around double-lobed radio sources. Previous studies have shown that multi-component radio sources exhibiting some degree of bending between components are likely to be found in galaxy clusters. Often this radio emission is associated with a cD-type galaxy at the center of a cluster. We cross-correlated the SDSS with the FIRST catalog and measured the richness of the cluster environments surrounding both bent and straight multi-component sources. This led to the discovery and classification of a large number of galaxy clusters out to a redshift of z ~ 0.5. We divided our sample into smaller subgroups based on their optical and radio properties. We find that FR I radio sources are more likely to be found in galaxy clusters than FR ...

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

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

CERN Document Server

We present the results of a monitoring campaign aimed at deriving rotation periods for a representative sample of stars in the young (30 Myr) open cluster IC 2602. Rotation periods were derived for 29 of 33 stars monitored. The periods derived range from 0.2d (one of the shortest known rotation periods of any single open cluster star) to about 10d (which is almost twice as long as the longest period previously known for a cluster of this age). We are able to confirm 8 previously known periods and derive 21 new ones, delineating the long period end of the distribution. Despite our sensitivity to longer periods, we do not detect any variables with periods longer than about 10d. The combination of these data with those for IC 2391, an almost identical cluster, leads to the following conclusions: 1) The fast rotators in a 30 Myr cluster are distributed across the entire 0.5 < B-V ...

CERN Document Server

Finding "densely connected clusters" in a graph is in general an important and well studied problem in the literature \\cite{Schaeffer}. It has various applications in pattern recognition, social networking and data mining \\cite{Duda,Mishra}. Recently, Ames and Vavasis have suggested a novel method for finding cliques in a graph by using convex optimization over the adjacency matrix of the graph \\cite{Ames, Ames2}. Also, there has been recent advances in decomposing a given matrix into its "low rank" and "sparse" components \\cite{Candes, Chandra}. In this paper, inspired by these results, we view "densely connected clusters" as imperfect cliques, where imperfections correspond missing edges, which are relatively sparse. We analyze the problem in a probabilistic setting and aim to detect disjointly planted clusters. Our main result basically suggests that, one can find \\emph{dense} clusters in a ...

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Given a point set S and an unknown metric d on S, we study the problem of efficiently partitioning S into k clusters while querying few distances between the points. In our model we assume that we have access to one versus all queries that given a point s in S return the distances between s and all other points. We show that given a natural assumption about the structure of the instance, we can efficiently find an accurate clustering using only O(k) distance queries. We use our algorithm to cluster proteins by sequence similarity. This setting nicely fits our model because we can use a fast sequence database search program to query a sequence against an entire dataset. We conduct an empirical study that shows that even though we query a small fraction of the distances between the points, we produce clusterings that are close to a desired clustering given by manual classification.

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We present radial velocity and photometry for four early-type, massive double-lined spectroscopic binaries in the R136 cluster. Three of these systems are eclipsing, allowing orbital inclinations to be determined. One of these systems, R136-38 (O3 V + O6 V), has one of the highest masses ever measured, 57 Mo, for the primary. Comparison of our masses with those derived from standard evolutionary tracks shows excellent agreement. We also identify five other light variables in the R136 cluster which are worthy of follow-up study.

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The avalanche quantity of the information developed by mankind has led to concept of automation of knowledge extraction - Data Mining ([1]). This direction is connected with a wide spectrum of problems - from recognition of the fuzzy set to creation of search machines. Important component of Data Mining is processing of the text information. Such problems lean on concept of classification and clustering ([2]). Classification consists in definition of an accessory of some element (text) to one of in advance created classes. Clustering means splitting a set of elements (texts) on clusters which quantity are defined by localization of elements of the given set in vicinities of these some natural centers of these clusters. Realization of a problem of classification initially should lean on the given postulates, basic of which - the aprioristic information on primary set of texts and a measure of affinity of ...

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BackgroundElementary schools represent both a source of childhood sun exposure and a setting for educational interventions.MethodsSun Protection...Full Text Available

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A prediction of delayed neutron yields for actinides which are important in the nuclear energy field is given. The prediction is based on a correlation related to a suggested cluster structure of the nucleus. (author).

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These include, but are not limited to: stellar winds and outflows, post-main- sequence stellar evolution, binary/multiple star evolution, globular cluster ...

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Globular clusters are quite compact (size {proportional_to}10 pc) objects distributed spherically around the galaxy. They contain about 10{sup 5}-10{sup 6} mostly old stars. The number of millisecond pulsars in typical globular cluster is expected to be large (of the order of 100). We investigate the possible mechanism of production of high energy gamma-rays in those objects. Part of the wind energy of pulsars (energy conversion factor) is converted into relativistic leptons. Those leptons can upscatter in inverse Compton process low energy starlight and CMB photons and produce gamma-rays. MAGIC is an Imaging Atmospheric Cerenkov Telescopes located at Canary island of La Palma. We present results and discussion of the MAGIC observations of globular cluster M13.

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star evolution, globular cluster structure and evolution, massive stars, supernova remnants, reflection nebulae, interstellar dust, structure of the ISM, ...

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These include, but are not limited to: stellar winds and outflows, post-main- sequence stellar evolution, binary/multiple star evolution, globular cluster structure ...

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In natural ecosystems, hundreds of species typically share the same environment and are connected by a dense network of interactions such as predation or competition for resources. Much is known about...Full Text Available

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Background The identification of sequences that control transcription in metazoans is a major goal of genome analysis. In a previous study, we demonstrated that searching for clusters of predicted transcription factor binding sites could discover active regulatory sequences, and identified 37 regions of the Drosophila melanogaster genome with high densities of predicted binding sites for five transcription factors involved in anterior-posterior embryonic patterning. Nine of these clusters overlapped known enhancers. Here, we report the results of in vivo functional analysis of 27 remaining clusters. Results We generated transgenic flies carrying each cluster attached to a basal promoter and reporter gene, and assayed embryos for reporter gene expression. Six clusters are enhancers of adjacent genes: giant, fushi tarazu, odd-skipped, nubbin, squeeze and pdm2; three drive expression ...

CERN Document Server

Inferring cluster structure in microarray datasets is a fundamental task for the -omic sciences. A fundamental question in Statistics, Data Analysis and Classification, is the prediction of the number of clusters in a dataset, usually established via internal validation measures. Despite the wealth of internal measures available in the literature, new ones have been recently proposed, some of them specifically for microarray data. In this dissertation, a study of internal validation measures is given, paying particular attention to the stability based ones. Indeed, this class of measures is particularly prominent and promising in order to have a reliable estimate the number of clusters in a dataset. For those measures, a new general algorithmic paradigm is proposed here that highlights the richness of measures in this class and accounts for the ones already available in the literature. Moreover, some of the most ...

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

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BackgroundThe Prospective Space-Time scan statistic (PST) is widely used for the evaluation of space-time clusters of point event data. Usually a window of cylindrical shape is employed,...Full Text Available

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Activities and results are reported of a project to investigate the application of remote sensing technology developed for the LACIE, AgRISTARS, Forestry and other NASA remote sensing projects for the environmental monitoring of strip mining, industrial pollution, and acid rain. Following a remote sensing workshop for EPA personnel, the EOD clustering algorithm CLASSY was selected for evaluation by EPA as a possible candidate technology. LANDSAT data acquired for a North Dakota test sight was clustered in order to compare CLASSY with other algorithms.

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Results on defect structure study and degree of molybdenum radiation hardening irradiated by fission neutrons and medium energy alpha-particles are presented. It is shown that molybdenum irradiation by alpha-particles and neutrons leads to different degree of material hardening for the same damage level. It is established that molybdenum radiation hardening is mainly defined by radiation defect clusters visible in electron microscope whose coefficient of rigidity depends on their size. 5 refs.; 6 figs.; 2 tabs. (author).

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Using high resolution and high sensitivity IRAS data at 12 and 25 microns low mass stars were studied which have recently formed in the Ophiuchus, Corona Australis, and IC1396 dark clouds. The successful application of these techniques to the Rho Ophiuchi infrared cluster is briefly described. The status of research performed is also presented.

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

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

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

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Seeing convolved two-dimensional de Vaucouleurs profiles have been fitted to digital images of the brightest elliptical galaxies in two nearby groups of galaxies and three clusters of galaxies with redshifts in the range 0.06 to 0.15. The digital images were created by scanning electronographic plates obtained by the use of several versions of the RGO electronographic camera. The linear relation between effective surface brightness #mu#/sub e/ and the logarithm of the effective radius r/sub e/, first discovered by Kormendy to be valid for nearby elliptical galaxies, is found to be equally valid for the largest and brightest galaxies in rich clusters of galaxies. The apparent universal nature of that relation indicates that the same type of processes might have been involved during the formation of all ellipticals from cD galaxies in clusters to fainter ellipticals in small groups. It is suggested that the (I/sub e/,r/sub ...

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A simulation model for boron diffusion which takes into account the aggregation of the excess interstitials in clusters, and subsequently, the dissolution of these defects, is proposed. The interstitial supersaturation and generation rate are determined according to the classical theory of nucleation and growth of particles, in analogy with the precipitation of a new phase in heavily doped silicon. The clusters are considered as precipitates formed by interstitial Si atoms. The B diffusion is modelled on the basis of the dopant-interstitial pair diffusion mechanism. The clusters dissolution during annealing maintains nearly constant, for a long period, the interstitial supersaturation and the related enhancement of the boron diffusion. This gives a good account of the diffusion results over a large range of experimental conditions. Furthermore, this approach describes most of the behavior of the transient enhanced diffusion ...

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

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The subject of this volume is remote sensing for environmental monitoring and resource management. This session is divided in eight parts. First part is on general topics, methodology and meteorology. Second part is on geology, environment and land cover. Third part is on disaster monitoring. Fourth part is on operational status of remote sensing. Fifth part is on coastal zones and inland waters. Sixth and seventh parts are on forestry and agriculture. Eighth part is on instrumentation and systems. (A.B.). refs., figs., tabs.

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

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

UK PubMed Central (United Kingdom)

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

CERN Document Server

We provide a quantitative assessment of the probability distribution function of the concentration parameter of galaxy clusters. We do so by using the probability distribution function of halo formation times, calculated by means of the excursion set formalism, and a formation redshift-concentration scaling derived from results of N-body simulations. Our results suggest that the observed high concentrations of several clusters are quite unlikely in the standard Lambda CDM cosmological model, but that due to various inherent uncertainties, the statistical range of the predicted distribution may be significantly wider than commonly acknowledged. In addition, the probability distribution function of the Einstein radius of A1689 is evaluated, confirming that the observed value of ~45" +/- 5" is very improbable in the currently favoured cosmological model. If, however, a variance of ~20% in the theoretically predicted value of the virial radius is ...

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.

CERN Document Server

We present high-resolution hydrodynamical simulations of the degree and direction of polarisation imprinted on the CMB by the Sunyaev-Zel'dovich effect in the the line of sight to massive galaxy clusters. We focus on two contributions which contribute most of the induced CMB polarisation in addition to the intrinsic CMB quadrupole: the radiation quadrupole seen by electrons due to their own velocity in the plane normal to the line of sight, and the radiation quadrupole due to the thermal Sunyaev-Zel'dovich effect, which is generated by a previous scattering elsewhere in the cores of the local and nearby clusters. We show that inside the virial radius of a massive cluster, this latter effect, although being second order in the optical depth, can reach the level of the former effect. These two effects can, respectively, constrain the projected tangential velocity and inner density profile of the gas, if they can be separated ...

Energy Technology Data Exchange (ETDEWEB)

We apply a notion of static renormalization to the preparation of cluster states for quantum computing, exploiting ideas from percolation theory. Such a strategy yields a novel way to cope with the randomness of non-deterministic quantum gates. This is most relevant in the context of linear optical architectures, where probabilistic gates are inevitable. We demonstrate how to efficiently construct cluster states without the need for rerouting, thereby avoiding a massive amount of feed-forward and conditional dynamics, and furthermore show that except for a single layer of fusion measurements during the preparation, all further measurements can be shifted to the final adapted single qubit measurements. Remarkably, the cluster state preparation is achieved using essentially the same scaling in resources as if deterministic gates were available. Further, techniques to reduce the size of the required resource states will be ...

British Library Electronic Table of Contents (United Kingdom)

Abstract We use Smoothed Particle Hydrodynamics to simulate the formation of a massive (106-M-) stellar cluster system formed from the gravitational collapse of a turbulent molecular cloud. We investigate the hierarchical clustering properties of our model system and we study the influence of the photoionizing radiation produced by the system's multiple O-type stars on the evolution of the protocluster. We find that dense gas near the ionizing sources prevents the radiation from eroding the filaments in which most of the star formation occurs and that instead, ionized gas fills pre-existing voids and bubbles originally created by the turbulent velocity field.

International Nuclear Information System (INIS)

In a sufficiently large cluster of several polar molecules, collective interactions lead to localization or 'solvation' of electrons. The existence of the solvated electron is known since 1863 in liquid ammonia and since 1962 for liquid water. In 1984, electron localization in clusters was experimentally demonstrated in (H_2O)_N_#>=#_1_1 and (NH_3)_N_#>=#_3_4 clusters. In cooperation with K. Bowen, we recently initiated a test of the theory of electron binding by a dipole and a new ground state dipole bound dimer anion, (H_2O..NH_3), was predicted and observed. We here describe results of a search for new dipole-bound and solvated electron systems. (author).

International Nuclear Information System (INIS)

We have obtained radial velocities for 69 stars in the globular cluster M2 (NGC 7089). M2's rotation axis is, within sizeable uncertainties, perpendicular to the major axis determined by the flattening. The ratio of rotational to random kinetic energy agrees with that predicted from the ellipticity assuming an oblate figure and an isotropic velocity-dispersion tensor. We have fitted King-Michie models to determine M2's mass, the exponent of an assumed power-law mass function, and the anisotropy radius. The most significant sources of uncertainty in the modeling are the velocity dispersion, the distance, and the mass-luminosity relation for the cluster stars. The models favor mass functions similar to or shallower than the Salpeter initial-mass function and a moderate amount of velocity anisotropy.

International Nuclear Information System (INIS)

Hyperspherical-harmonics method to investigate the lightest nuclei having three-cluster structure is discussed together with recent experiments. Properties of bound states and methods to explore three-body continuum are presented. The challenges created by large neutron excess and halo phenomena are highlighted. Astrophysical aspects of the "7Li + n "#-># "8Li + #gamma# reaction and the solar-boron-neutrinos problem are analyzed. Three-cluster structure of highly excited states in "8Be is shown to be responsible for extreme isospin mixing. Progress in studies of "6He- and "1"1Li-induced inclusive and exclusive nuclear reactions is demonstrated, providing information on the nature of continuum structures of Borromean nuclei.

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

Transition-metal chemistry in ionic liquids (IL) has achieved intrinsic fascination in the last few years. The use of an IL as environmental friendly solvent, offers many advantages over traditional materials synthesis methods. The change from molecular to ionic reaction media leads to new types of materials being accessible. Room-temperature IL have been found to be excellent media for stabilising transition-metal clusters in solution and to crystallise homo- and heteronuclear transition-metal complexes and clusters. Furthermore, the use of IL as solvent provides the option to replace high-temperature routes, such as crystallisation from the melt or gas-phase deposition, by convenient room- or low-temperature syntheses. Inorganic IL composed of alkali metal cations and polynuclear transition-metal cluster anions are also known. Each of these areas will be discussed briefly in this contribution. PMID:21743925

Energy Technology Data Exchange (ETDEWEB)

One of the keystones of the canceled BTeV experiment (proposed at Fermilab's Tevatron) was its sophisticated three-level trigger. The trigger was designed to reject 99.9% of light-quark background events and retain a large number of B decays. The BTeV Pixel Detector provided a 3-dimensional, high resolution tracking system to detect B signatures. The Level 1 pixel detector trigger was proposed as a two stage process, a track-segment finder and a vertex finder which analyzed every accelerator crossing. In simulations the track-segment finder stage outputs an average of 200 track-segments per accelerator crossing (2.5MHz). The vertexing stage finds vertices and associates track-segments with the vertices found. This paper proposes a novel adaptive pattern recognition model to find the number and the estimated location of vertices, and to cluster track-segments around those vertices. The track clustering and vertex finding is done in ...

Energy Technology Data Exchange (ETDEWEB)

The ALICE heavy-ion particle physics experiment is currently being built at CERN near Geneva. It will use a PC cluster of 900 dual-processor machines for the last stages of the data readout process and a network of 400 microcomputers for the configuration and control of the cluster nodes. One of the most important objectives to be achieved in such experiments is to guarantee the utilized devices are running correctly during the experiment life-time. A second aspect is the extremely high availability and reliability requirements of the applications being run, the so called high level trigger (HLT). The SysMES framework is a scalable, decentralized, fault tolerant, dynamic, rule based tool set for the monitoring of networks of target systems and applications. The management algorithms consist of the following steps: system and application monitoring, recognition of undesirable states, event (message) generation, local event handling on the ...

UK PubMed Central (United Kingdom)

Using the complete genome of Plasmodium falciparum 3D7 which has 14 chromosomes as an example, we have examined the distribution functions for the amount of C or G and A or T consecutively...Full Text Available

CERN Document Server

We numerically investigate whether and how gaseous ejecta from AGB stars can be converted into new stars within originally massive star clusters (MSCs) in order to understand the origin of multiple stellar populations in globular clusters (GCs). We adopt a scenario in which (i) MSCs with masses of M_s can be formed from high-mass, high-density giant molecular clouds (GMCs) in their host galactic building blocks embedded in dark matter halos at high redshifts and (ii) their evolution therefore can be significantly influenced by M_s, their initial locations, and physical properties of their hosts. Our 3D hydrodynamical simulations show that gaseous ejecta from AGB stars can be retained within MSCs and consequently converted into new stars very efficiently in the central regions of MSCs, only if M_s exceed a threshold mass (M_th) of ~10^6 M_sun. The new stars can correspond to the ``second generation (SG)'' of stars with higher Na and lower O ...

UK PubMed Central (United Kingdom)

BackgroundPresumptive treatment of all febrile patients with anti-malarials leads to massive over-treatment. The aim was to assess the effect of implementing malaria rapid diagnostic...Full Text Available

International Nuclear Information System (INIS)

The new Gaussian potentials and interactions with forbidden states consistent with the phase scattering at low energies were obtained. Cross sections, resonance level spectra and some characteristics of bound states of lithium nuclei are calculated with these potentials.

Science.gov (United States)

Feb 7, 2011 ... The potentials of the spherical sensor and nearby conductors are controlled ... Incoming data are continuously monitored by algorithms in the software ... together with FM8 (Tango) by a Soyuz-Fregat rocket from Baikonur. ...

International Nuclear Information System (INIS)

This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, isolated Pt atoms hidden in niches of the pore ...

UK PubMed Central (United Kingdom)

Genes of the S100 fused-type protein (SFTP) family are clustered within the epidermal differentiation complex and encode essential components that maintain epithelial homeostasis and barrier functions....Full Text Available

UK PubMed Central (United Kingdom)

BackgroundPhysicians have difficulty keeping up with new evidence from medical research.MethodsWe developed the McMaster Premium...Full Text Available

UK PubMed Central (United Kingdom)

Aflatrem is a potent tremorgenic mycotoxin produced by the soil fungus Aspergillus flavus and is a member of a large structurally diverse group of secondary metabolites known as indole-diterpenes....Full Text Available

British Library Electronic Table of Contents (United Kingdom)

Physicochemical and benthos data were collected from 12 marine monitoring stations in Daya Bay, during 2001-2004. 12 stations in Daya Bay could be grouped into three clusters: cluster I consisted of stations in the southern part of Daya Bay (stations S1, S2 and S6); cluster II consisted of stations in the cage culture areas (stations S3, S4, S5 and S8); cluster III consisted of stations in the southwest, the middle and the northeast of the Bay (stations S7, S9, S10, S11 and S12). Calculation with bivariate correlations between benthos and major physicochemical factors showed that the density of benthos in all stations correlated positively with temperature, DO, pH, NH4-N, SiO3-Si, SiO3-Si /PO4-P and chlorophyll a and was negatively correlated with salinity, Secchi, COD, NO3-N, NO2-N, TIN, ...

UK PubMed Central (United Kingdom)

Extended-spectrum beta-lactamases (ESBL) constitute a key antibiotic-resistance mechanism affecting Gram-negative bacteria, and also an excellent model for studying evolution in real time. A shift in...Full Text Available

CERN Document Server

The expression levels of many thousands of genes can be measured simultaneously by DNA microarrays (chips). This novel experimental tool has revolutionized research in molecular biology and generated considerable excitement. A typical experiment uses a few tens of such chips, each dedicated to a single sample - such as tissue extracted from a particular tumor. The results of such an experiment contain several hundred thousand numbers, that come in the form of a table, of several thousand rows (one for each gene) and 50 - 100 columns (one for each sample). We developed a clustering methodology to mine such data. In this review I provide a very basic introduction to the subject, aimed at a physics audience with no prior knowledge of either gene expression or clustering methods. I explain what genes are, what is gene expression and how it is measured by DNA chips. Next I explain what is meant by "clustering" and how we analyze ...

UK PubMed Central (United Kingdom)

BackgroundThe implementation of high throughput sequencing for exploring biodiversity poses high demands on bioinformatics applications for automated data processing. Here we introduce...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Observational work on quasars, galaxies, and stars is summarized. Theoretical studies covering stars and stellar evolution, galaxies, clusters and cosmology, high energy astrophysics the solar system and the Sun are described. (ESA)

UK PubMed Central (United Kingdom)

Aluminum toxicity is a major problem in agriculture worldwide. Among the cultivated Triticeae, rye (Secale cereale L.) is one of the most Al tolerant and represents an important potential...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundWith rates of childhood obesity increasing, physical activity (PA) promotion especially in young children has assumed greater importance. Given the limited effectiveness...Full Text Available

CERN Document Server

We have discovered seven type Ia cluster supernovae (SNe) in the course of the Wise Observatory Optical Transients Search in the fields of galaxy clusters with redshifts between z=0.06 and z=0.2. Two of these events, SN 1998fc in Abell 403 (z=0.10) and SN 2001al in Abell 2122/4 (z = 0.066), have no obvious hosts. Both events appear projected on the halos of the central cD galaxies, but have velocity offsets of 750-2000 km/s relative to those galaxies, suggesting they are not bound to them. We use deep Keck imaging of the locations of the two SNe to put upper limits on the luminosities of possible dwarf hosts, M_R > -14 mag for SN 1998fc and M_R > -11.8 mag for SN 2001al. The fractions of the cluster luminosities in dwarf galaxies fainter than our limits are less than 3 x 10^-3 and 3 x 10^-4, respectively. Thus, 2/7 of the SNe would be associated with less than 3 x 10^-3 of the luminosity attributed to galaxies. We ...

International Nuclear Information System (INIS)

The fission fragments from spontaneous fission of 252Cf have been measured with the spectrometric and position-sensitive semiconductor pixel detector Medipix2. Fragments are identified by pattern recognition of clusters generated in the Medipix2 pixel matrix sensor upon heavy particle hit. From analysis of cluster area, the distribution of kinetic energy of fission fragments is obtained. Together with a novel USB readout interface, the Medipix2/USB system operates as active nuclear emulsion in single-quantum and on-line tracking mode.

Energy Technology Data Exchange (ETDEWEB)

A method based on cluster analysis techniques is proposed in order to obtain representative local wind patterns. Modeling renewable energy systems, in an accurate way which strongly depends on wind loads, requires reliable data to analyze their response and evaluate their performance. Otherwise poor agreement with the models may be obtained. In a case study for La Paz, Baja California Sur, Mexico, four different wind patterns were obtained from a one-year data set recorded at 10-min intervals. (author)

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The electronic structure of the clusters [V_3Si_4]"1"2"-, [Nb_3Sn_4]"1"2"-[Mo_3Ge_4]"1"5"- in crystalline V_3Si, Nb_3Sn, Mo_3Ge compounds is calculated by the Extended Hueckel method. The influence of different types of radiation induced defects on the density of states at the Fermi level (the anti-site defects, the displacement of atoms in linear chains, the vacancy-interstitial type defects) is considered. (author).

International Nuclear Information System (INIS)

Direct nuclear reactions are commonly understood in terms of distorted wave (DW) formalisms. In the case of a single nucleon knockout or transfer reaction the DW analysis provides a reasonable understanding of the observed data. On the other hand the predictions based on different available information inputs have been verified with the observations consistently. In the case of direct reactions involving nuclear clusters however, the DW predictions have been found to disagree with the observations in most cases. The outcome of these and other improvements in the intermediate energy nuclear phenomena involving direct reactions are highlighted. (author). 13 refs., 18 figs.

International Nuclear Information System (INIS)

Burnout data with low pressure Freon-113 for even- and odd- numbered peripheral rod clusters with relatively large spacings were used to derive equations in terms of dimensionless parameters suggested by Barnett. The equations which are for three different flow regimes for each rod geometry (even or odd) were found to predict burnout data with maximum RMS deviation being 3.8%. (author). 11 figs., 3 tabs., 15 refs.

Energy Technology Data Exchange (ETDEWEB)

The Plant Life Assessment Network (PLAN) is a Brite Euram Type II Thematic Network, initiated by the European Commission to facilitate structured co-operation between all cost shared action projects already funded by the Commission which fall under this common technical theme. The projects involved address a multiplicity of problems associated with plant life assessment and are drawn from Brite-Euram, Standards, Measurement and Testing, Nuclear Fission Safety and Esprit EC programmes. The main aim of the Network is to initiate, maintain and monitor a fruitful co-operation process between completed, ongoing and future EC R and D projects, thereby promoting improved cross fertilization and enhanced industrial exploitation of R and D results. As the project is in its infancy, this presentation covers the background to the initiative in some detail. In particular two key aspects are highlighted, namely, the requirement of the EC to launch such a network in the area of plant life assessment ...

CERN Document Server

The disk around AB Aur was imaged and resolved at 24.6\\,$\\mu$m using the Cooled Mid-Infrared Camera and Spectrometer on the 8.2m Subaru Telescope. The gaussian full-width at half-maximum of the source size is estimated to be 90 $\\pm$ 6 AU, indicating that the disk extends further out at 24.6\\,$\\mu$m than at shorter wavelengths. In order to interpret the extended 24.6\\,$\\mu$m image, we consider a disk with a reduced surface density within a boundary radius $R_c$, which is motivated by radio observations that suggest a reduced inner region within about 100 AU from the star. Introducing the surface density reduction factor $f_c$ for the inner disk, we determine that the best match with the observed radial intensity profile at 24.6\\,$\\mu$m is achieved with $R_c$=88 AU and $f_c$=0.01. We suggest that the extended emission at 24.6\\,$\\mu$m is due to the enhanced emission from a wall-like structure at the boundary radius (the inner edge of the outer disk), which ...

CERN Document Server

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

British Library Electronic Table of Contents (United Kingdom)

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

Science.gov (United States)

ABS>A horizontal steam generator design for the SM-2 was lysis to determine the per formance of such a steam generator under steady state operating conditions and during load transients, The configuration for this design is a two- drum unit consisting of a heat exchanger unit and separator drum interconnected by integral riser and downcomer. An analog computer was used to analyze the steam generator behavior Wring load transients. The effect of various design changes on the response of the steam generator to step chages in load was determined. The horizontal steam generator design was compared to the existing vertical steam generator design for weight, size, price, and performance. (auth)

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

We create realistic, full-sky, half-arcminute resolution simulations of the microwave sky matched to the most recent astrophysical observations. The primary purpose of these simulations is to test the data reduction pipeline for the Atacama Cosmology Telescope (ACT) experiment; however, we have widened the frequency coverage beyond the ACT bands and utilized the easily accessible HEALPix map format to make these simulations applicable to other current and near future microwave background experiments. Some of the novel features of these simulations are that the radio and infrared galaxy populations are correlated with the galaxy cluster and group populations, the primordial microwave background is lensed by the dark matter structure in the simulation via a ray-tracing code, the contribution to the thermal and kinetic Sunyaev-Zel'dovich (SZ) signals from galaxy clusters, groups, and the intergalactic medium has been included, and the gas ...

Energy Technology Data Exchange (ETDEWEB)

A comprehensive understanding of dopant activation mechanisms in crystalline Si is required in order to form shallow junctions. In this paper, we will review several experimental assessments on boron clustering and novel methods to form shallow junctions. Boron marker-layer structures have been used to investigate the fundamental aspects of formation and ripening boron-interstitial clusters (BICs) and their influence on the associated transient enhanced diffusion (TED). The samples were damaged by Si implants at different doses in the sub-amorphizing range and annealed at high temperatures. We found that BICs act as a sink for interstitials at supersaturations values S(t)>10{sup 4}. This implies that silicon self-interstitial defects are the primary source of interstitials driving TED, and that BICs act as a secondary 'buffer' for the interstitial supersaturation. These clusters are less sensitive ...

International Nuclear Information System (INIS)

Minor M (M = Fe, Mn, Cr) additions are widely added to enhance the corrosion resistance of commercial cupronickel alloys. The present paper aims at optimizing the amounts of M in Cu_7_0(Ni,Fe,Mn,Cr)_3_0 (at.%) alloys using a cluster-plus-glue-atom model for stable solid solutions. By this model, it assumed that 1 M atom and 12 Ni atoms formed an M-centered and Ni-surrounded cube-octahedron cluster and the isolated M_1Ni_1_2 clusters are embedded in a Cu matrix, conforming to a cluster formula [M_1Ni_1_2]Cu_3_0_._3 = [M_1_/_1_3Ni_1_2_/_1_3]_3_0Cu_7_0. A structure of this kind satisfies ideally the nearest neighbor requirement, i.e. only M-Ni and Ni-Cu neighbors are allowed and the unfavorable Cu-M pairs are avoided, and hence it describes a stable solid solution structure with good thermal stability. Electrochemical corrosion measurements indicated that [(Fe_0_._6Mn_0_._2_5Cr_0_._1_5)_1Ni_1_2]Cu_3_0_._3 ...

CERN Document Server

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

International Nuclear Information System (INIS)

Experimental observations related to the initiation of plastic deformation in metals and alloys irradiated with fission neutrons have been analyzed. The experimental results, showing irradiation-induced increase in the upper yield stress followed by a yield drop and plastic instability, cannot be explained in terms of conventional dispersed-barrier hardening because (a) the grown-in dislocations are not free, and (b) irradiation-induced defect clusters are not rigid indestructible Orowan obstacles. A new model called 'cascade-induced source hardening' is presented where glissile loops produced directly in cascades are envisaged to decorate the grown-in dislocations so that they cannot act as dislocation sources. The upper yield stress is related to the breakaway stress which is necessary to pull the dislocation away from the clusters/loops decorating it. The magnitude of the breakaway stress has been estimated and is found to be in good ...

CERN Document Server

We describe a clustering method for labeled link network (semantic graph) that can be used to group important nodes (highly connected nodes) with their relevant link's labels by using PARAFAC tensor decomposition. In this kind of network, the adjacency matrix can not be used to fully describe all information about the network structure. We have to expand the matrix into 3-way adjacency tensor, so that not only the information about to which nodes a node connects to but by which link's labels is also included. And by applying PARAFAC decomposition on this tensor, we get two lists, nodes and link's labels with scores attached to each node and labels, for each decomposition group. So clustering process to get the important nodes along with their relevant labels can be done simply by sorting the lists in decreasing order. To test the method, we construct labeled link network by using blog's dataset, where the blogs are the nodes and labeled links ...

CERN Document Server

NGC 1407 is the central elliptical in a nearby evolved galaxy group apparently destined to become a cluster core. We use the kinematics of globular clusters to probe the dynamics and mass profile of the group's center, out to 60 kpc (~10 R_eff) -- the most extended data set to date around an early-type galaxy. This sample consists of 172 GC velocities, most of them newly obtained using Keck/DEIMOS, with a few additional objects identified as DGTOs or as IGCs. We find weak rotation in the GC system's outer parts, with the metal-poor and metal-rich GCs misaligned. The RMS velocity profile declines rapidly to a radius of ~20 kpc, and then becomes flat or rising to ~60 kpc. There is evidence that the GC orbits have a tangential bias that is strongest for the metal-poor GCs -- possibly contradicting theoretical expectations. We construct cosmologically-motivated galaxy+dark halo dynamical models and infer a mass within 60 kpc of ~3x10^12 M_Sun, ...

Energy Technology Data Exchange (ETDEWEB)

With regard to a fracture system in the Hijiori hot dry rock artificial reservoir, an attempt was made on an interpretation which integrates different data. Major factors that characterize development and performance of an artificial reservoir are composed of a fracture system in rocks, which acts as circulating water paths, a heat exchange face and a reservoir space. The system relates not only with crack density distribution, but also with cracks activated by water pressure fracturing, cracks generating acoustic emission (AE), and cracks working as major flow paths, all of which are characterized by having respective behaviors and roles. Characteristics are shown on AE cluster distribution, crack distribution, production zone and estimated stress fields. Mutual relationship among these elements was discussed based on the Coulomb`s theory. The most important paths are characterized by distribution of slippery cracks. Directions and appearance frequencies of the ...

Science.gov (United States)

Magnetic particles have become very promising materials for drug delivery. However, preparation of magnetite particles with high surface area, biocompatibility, strong magnetic response, and suitable particle size still remains a major challenge. In this report, magnetite nanocrystal clusters with high surface areas were fabricated through a solvothermal process by introducing ammonium acetate as a porogen and trisodium citrate as a surface modification agent. The porosity, which was controlled by the reactant concentration, has been investigated in detail. The surface area of the nanocrystal clusters was as high as 141?m(2) g(-1) . Ibuprofen, as a model drug, was entrapped into the magnetite carriers. The interfacial interaction between the carboxylic groups on the drug molecules and the carboxylate groups on the carriers enhanced the loading efficiency. Low cytotoxicity in MCF-7 cell and in vitro constant drug release behavior combined with ...

CERN Document Server

Collective graphical models exploit inter-instance associative dependence to output more accurate labelings. However existing models support very limited kind of associativity which restricts accuracy gains. This paper makes two major contributions. First, we propose a general collective inference framework that biases data instances to agree on a set of {\\em properties} of their labelings. Agreement is encouraged through symmetric clique potentials. We show that rich properties leads to bigger gains, and present a systematic inference procedure for a large class of such properties. The procedure performs message passing on the cluster graph, where property-aware messages are computed with cluster specific algorithms. This provides an inference-only solution for domain adaptation. Our experiments on bibliographic information extraction illustrate significant test error reduction over unseen domains. Our second major contribution consists of ...

CERN Document Server

We propose a method to determine the cosmic mass density Omega from redshift-space distortions induced by large-scale flows in the presence of nonlinear clustering. Nonlinear structures in redshift space such as fingers of God can contaminate distortions from linear flows on scales as large as several times the small-scale pairwise velocity dispersion sigma_v. Following Peacock & Dodds (1994), we work in the Fourier domain and propose a model to describe the anisotropy in the redshift-space power spectrum; tests with high-resolution numerical data demonstrate that the model is robust for both mass and biased galaxy halos on translinear scales and above. On the basis of this model, we propose an estimator of the linear growth parameter beta = Omega^0.6/b, where b measures bias, derived from sampling functions which are tuned to eliminate distortions from nonlinear clustering. The measure is tested on the numerical data and found to recover ...

International Nuclear Information System (INIS)

Structural variations in 39-MeV alpha-particle irradiated (Tsub(irr) = 60 deg C) polycrystalline molybdenum during post-irradiation annealing were studied by X-ray and TEM methods. Despite the high density of irradiation induced defects in the structure of the specimen X-ray measurements showed zero relative lattice parameter change after an irradiation dose of 1.1 x 10"-_2 dpa. However, during the annealing #delta#a/a was changed in the positive range, exhibiting two peaks - at 100 and 300 deg C - whereas the damage structure detected by TEM indicated no changes. Analysis of the results leads to the conclusion that in the range 100 to 250 deg C migration of isolated vacancies and their annihilation at interstitial clusters as well as possible formation of new vacancy clusters occur. The second peak on the #delta#a/a temperature dependence curve is related to the transformation (probably, thermal disintegration) of vacancy ...

International Nuclear Information System (INIS)

(001) CZ silicon wafers were implanted with arsenic (As"+) at energies of 10--50 keV to doses of 2 x 10"1"4 to 5 x 10"1"5/cm"2. All implants were amorphizing in nature. The samples were annealed at 700 C for 16 hrs. The resultant defect microstructures were analyzed by XTEM and PTEM and the As profiles were analyzed by SIMS. The As profiles showed significantly enhanced diffusion in all of the annealed specimens. The diffusion enhancement was both energy and dose dependent. The lowest dose implant/annealed samples did not show As clustering which translated to a lack of defects at the projected range. At higher doses, however, projected range defects were clearly observed, presumably due to interstitials generated during As clustering. The extent of enhancement in diffusion and its relation to the defect microstructure is explained by a combination of factors including surface recombination of point defects, As precipitation, As ...

British Library Electronic Table of Contents (United Kingdom)

Abstract The salts [Cnmim]2[Mo6Cl14] (mim = methylimidazolium; n = 4, 6, 12, 16, 18) have been obtained by reaction of CnmimCl with MoCl2. Thermal analysis shows the melting point decreases with increasing alkyl chain length of the cation. The imidazolium chloromolybdates(II) with n = 6-18 decompose above 340 C; [C18mim]2[Mo6Cl14] is thermally stable up to 390 C. All compounds are insensititve to the constituents of the atmosphere. Of the higher melting salts [Cnmim]2[Mo6Cl14] (n = 4, 6), high-quality single crystals could be obtained. Single-crystal X-ray structural analyses clearly show that the cluster complex anion [Mo6Cl14]2- has an electron-precise octahedral {Mo6} cluster. For [C4mim]2[Mo6Cl14], two polymorphs differing in the cation alkyl-side-chain conformation were obtained. The ...

CERN Document Server

We propose an innovative linear accelerating structure, particularly suited for hadrontherapy applications. Its two main features are compactness and good power efficiency at low beam velocities: the first is achieved through a high working frequency and a consequent high accelerating gradient, the second is obtained by coupling several H-mode cavities together. The structure is called CLUSTER, which stands for "Coupled-cavity Linac USing Transverse Electric Radial field". In order to compare the performance of this structure with other hadrontherapy linac designs involving high frequencies, a conceptual study has been performed for an operating frequency of 3 GHz. Moreover a proof of principle has been obtained through RF measurements on a prototype operating at 1 GHz. An accelerator complex using a CLUSTER linac is also considered for protontherapy purposes. The whole complex is called cyclinac and is composed of a commercial cyclotron ...

CERN Document Server

After two decades of direct dynamical simulation of large-scale structure in the universe, it is safe to say the subject is now mature. Still, there are parts of the problem that are less well developed than others. In general, the collisionless dynamics of the dark matter component is better understood than the collisional gas dynamics of the baryonic component. In situations where the gas dynamics is relatively simple, such as the Lyman-$\\alpha$ forest and the intracluster medium in X-ray clusters, our ability to reproduce observational data has evolved rapidly, and the interpretive and predictive power of such experiments should now be taken seriously. A comparison of twelve gas dynamic codes to the problem of forming a single X-ray cluster shows that numerical inaccuracies are modest (typically below ten percent), leaving missing physics as the main source for large systematic differences between theory and observation. Galaxy formation, ...

Energy Technology Data Exchange (ETDEWEB)

Pd-induced surface structures on Si(1 1 3) have been studied by scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS). In the initial process of the Pd adsorption below 0.10 ML, Pd silicide (Pd{sub 2}Si) clusters are observed to form randomly on the surface. By increasing the Pd coverage to 0.10 ML, the clusters cover the entire surface, and an amorphous layer is formed. After annealing the Si(1 1 3)-Pd surface at 600 deg. C, various types of islands and chain protrusions appears. The agglomeration, coalescence and crystallization of these islands are observed by using high temperature (HT-) STM. It is also found by XPS that the islands correspond to Pd{sub 2}Si structure. On the basis of these results, evolution of Pd-induced structures at high temperatures is in detail discussed.

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 magnetic scattering ...

Energy Technology Data Exchange (ETDEWEB)

We demonstrate that the nanoparticle formation during laser ablation of metals by short (of a few tens of ps) laser pulses strongly depends on the concentration of surrounding gas. While, at vacuum conditions, nanoparticle formation shows very ''sharp'' atomic force microscope images of aggregated clusters, following with clear appearance of plasmon resonance on the absorption spectra of deposited films, an addition of gas particles starts to decrease the probability of cluster formation. This process shows a threshold for both helium (33 torr) and xenon (12 torr) above which no surface plasmon resonance and correspondingly no observable nanoparticles on the deposited surfaces were detected. The destruction of nanoparticle formation was attributed to the negative influence of surrounding gas particles on ablated particles aggregation. (orig.)

International Nuclear Information System (INIS)

The determination of Li and proton-capture element abundances in globular cluster (GC) giants allows us to constrain several key questions on the multiple population scenarios in GCs, from formation and early evolution to pollution and dilution mechanisms. In this Letter, we present our results on Li abundances for a large sample of giants in the intermediate-metallicity GC NGC 6121 (M4), for which Na and O have been already determined by Marino et al. The stars analyzed are both below and above the red giant branch bump luminosity. We found that the first and second generation stars share the same Li content, suggesting that a Li production must have occurred. This provides strong observational evidence supporting the scenario in which asymptotic giant branch stars are GC polluters.

International Nuclear Information System (INIS)

A set of 35 uranium ore and 10 yellow cake samples, collected worldwide from different mines and production sites, were analyzed for their impurity spectrum by ICP-MS. Pattern recognition techniques such as cluster analysis were applied to the data set in order to characterize samples with relation to their geographical origin. The results obtained show a clear relationship between samples taken from the same geological origin and constitute a satisfactory fingerprint for establishing the origin of the material. In addition to the impurity data, data on the isotopic composition of radiogenic lead is used to resolve ambiguity when impurity cluster analysis fails to deliver unambiguous origin data. (author)

British Library Electronic Table of Contents (United Kingdom)

The comprehensive theoretical and experimental study of the adsorption of water and methanol molecules on active sites (carboxyl and phenol hydroxyl groups) on the graphitized thermal carbon black is performed. It is shown that microclusters formed upon the adsorption of these molecules on such sites are characterized by the cyclic structure comprising 4?5 molecules similar to that whose existence was revealed previously in liquid water and on the surface of silver iodide. The analysis of the studied adsorption clusters demonstrated that the formation of such cycles is governed primarily by the hydrogen bonding; however, a definite role is played also by energy effects associated with the changes in the state of molecular motion during adsorption. It is shown that the generalized Langmuir ...

International Nuclear Information System (INIS)

Cluster calculations of the electronic structure and charge distribution in V_3Si have been performed using two different molecular orbital methods: a semiempirical LCAO and the MS X#alpha# model. The results are compared with X-ray emission spectra and band structure calculations. An analysis of the calculated electronic distribution reveals a charge transfer from Si-atoms to V-atoms, the additional charge on a V-atom being 0.6e (LCAO) and 0.4e (MS X#alpha# method). The results are in good agreement with experiment, which indicates that the cluster approach is adequate for the description of charge distributions and spectra characteristics of the A-15 compounds. (author).

CERN Document Server

Microcalcifications in mammogram have been mainly targeted as a reliable earliest sign of breast cancer and their early detection is vital to improve its prognosis. Since their size is very small and may be easily overlooked by the examining radiologist, computer-based detection output can assist the radiologist to improve the diagnostic accuracy. In this paper, we have proposed an algorithm for detecting microcalcification in mammogram. The proposed microcalcification detection algorithm involves mammogram quality enhancement using multirresolution analysis based on the dyadic wavelet transform and microcalcification detection by fuzzy shell clustering. It may be possible to detect nodular components such as microcalcification accurately by introducing shape information. The effectiveness of the proposed algorithm for microcalcification detection is confirmed by experimental results.

International Nuclear Information System (INIS)

A deep band of #left brace#311#right brace# defects was created 520 nm below the silicon surface with a 350 keV Si implant followed by a cluster-forming rapid thermal anneal (800 C, 1000 s). Chemical etching was used to vary the depth to the surface of the #left brace#311#right brace#-defect band. Afterwards, the defect dissolution was investigated at 750 C for different times. Varying the depth in this fashion assures that only the depth and no other feature of the cluster distribution is changed. The #left brace#311#right brace# defects were analyzed by plan-view, transmission electron microscopy. We show that the dissolution time of the #left brace#311#right brace#-defect band varies linearly with depth, confirming that surface recombination controls the dissolution and is consistent with analogous observations of transient enhanced diffusion.

British Library Electronic Table of Contents (United Kingdom)

SummaryProcesses of upgrading and the promotion of industrial "clusters," which encompass multiple policies, institutions, and actors, necessarily vary from place to place. Based on the evidence from Morocco and Tunisia, this article contends that different patterns of business-government relations facilitate different elements of industrial upgrading and cluster promotion. State-dominated political economies may be more amenable to implementing macroeconomic and infrastructure-related measures, which are critical in the initial stages of upgrading. Political economies with more organized business communities may be better equipped to pursue the kinds of inter-firm linkages traditionally associated with later phases of upgrading, when the focus is on boosting innovation.

Energy Technology Data Exchange (ETDEWEB)

We have employed Environmental Scanning Electron Microscopy (ESEM) and Energy Dispersive X-ray (EDX) analysis to study the microstructural evolution of acrylic latex stabilised with a novel polysaccharide derived from agricultural waste. The analysis revealed that the micro structure of the latex in the 'wet' state consists of individual particles and clusters. Upon evaporation a discontinuous film is formed, with voids present within its structure, which is inconsistent with the conventional descriptions of film formation. Further ESEM examination of 'dry' specimens revealed that aging resulted in the formation of dendritic structures on the surfaces of the latex films, which EDX analysis confirmed to have been formed via crystallisation of salt. The experimental evidence suggests that the clusters, which are part of the structure of the latex, may act as nucleation centres that would allow the dendrites to ...

Science.gov (United States)

We describe the Hubble Space Telescope (HST) Wide Field Camera 3 (WFC3) Early Release Science (ERS) observations in the GOODS-South field. The new WFC3 ERS data provide calibrated, drizzled mosaics with FHWM=0.07--0.15" in the near-UV (filters F225W, F275W, and F336W) and near-IR (F098W, F125W, and F160W) in typically 2 orbits per filter. Together with the existing HST/ACS GOODS-S mosaics in the BVi'z' filters, the 10-band ERS data cover 40-50 sq. arcmin to AB=26-27.0 mag (10-sigma for point sources). In this poster, we describe the: (1) scientific rationale, data taking and reduction procedures of the WFC3 ERS mosaics; (2) object cataloging and star-galaxy separation techniques used in these 10 different filters; (3) reliability and completeness of the 10-band object catalogs from the ERS mosaics; (4) object counts in 10 different filters from 0.2-1.7 microns to AB=26.0-27.0 mag; and (5) the full-color 10-band ERS images. We discuss the ...

UK PubMed Central (United Kingdom)

BackgroundMany emergency ambulance calls are for older people who have fallen. As half of them are left at home, a community-based response may often be more appropriate than hospital...Full Text Available

International Nuclear Information System (INIS)

The model of transient enhanced diffusion of ion-implanted As is formulated and the finite-difference method for numerical solution of the system of equations obtained is developed. The nonuniform distribution of point defects near the interface and more accurate description of arsenic clustering are simultaneously taken into account. Simulation of As diffusion during rapid annealing gives a reasonable agreement with the experimental data. (authors)

Energy Technology Data Exchange (ETDEWEB)

This invention pertains to a Fischer Tropsch process for converting synthesis gas to an oxygenated hydrocarbon with particular emphasis on dimethyl ether. Synthesis gas comprising carbon monoxide and hydrogen are converted to dimethyl ether by carrying out the reaction in the presence of an alkali metal-manganese-iron carbonyl cluster incorporated onto a zirconia-alumina support.

Environmental Research Database

DescriptionThe recent sequencing of the complete genomes of several streptomycete species revealed the presence of a large number of cryptic' secondary metabolic gene clusters, and led to the realisation that these organisms have the ability to produce many more natural products than had previously been recognised. One of the aims of our work is to identify the physiological signals and regulatory mechanisms responsible for the activation of these 'cryptic' pathways, thus unleashing the full biosynthetic p [continued...

UK PubMed Central (United Kingdom)

The complete nucleotide sequence of the cap3A gene of Streptococcus pneumoniae, which is directly responsible for the transformation of some unencapsulated, serotype 3 mutants to the encapsulated phenotype,...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundIn an effort to promote healthy ageing and preserve health and function, the government of Chile has formulated a package of actions into the Programme for Complementary...Full Text Available

UK PubMed Central (United Kingdom)

We previously showed that very thin filamentous bacteria affiliated with the division green non-sulfur bacteria were abundant in the outermost layer of thermophilic methanogenic sludge granules fed...Full Text Available

International Nuclear Information System (INIS)

It has been shown that mechanical milling of iron in water results in formation of nanocrystalline magnetite Fe3O4 with an average particle size of 0.6 ?m, saturation magnetization of 77 Am2/kg and coercivity of ?150 A/cm. Along with magnetite, an antiferromagnetic Fe-O phase (?10 wt%), which is an aggregate of small iron-oxygen clusters forms.