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

Czech Academy of Sciences Repository

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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.

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 ...

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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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Ab initio planewave pseudopotential method is used to study carbon diffusion and pairing in crystalline silicon. The calculation is performed with a 40 Ry planewave cutoff and 2x2x2 special k-point sampling with a supercell of 64 atoms. It is found that substitutional carbon attracts interstitial Si forming a <001> C interstitial with a large binding energy of 1.45 eV. The interstitial carbon is mobile and can migrate with a migration energy of 0.5 eV. The interstitial carbon can bind further to another substitutional carbon forming a substitutional carbon-interstitutional carbon pair with a binding energy of 1.0 eV. This model is used to understand the effect of high C concentration on the transient enhanced diffusion in Si.

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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 clusters ({approx} 2-3% in average nearest neighbor spacing), ...

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

CERN Document Server

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

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

Energy Technology Data Exchange (ETDEWEB)

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.}

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

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

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 ...

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...

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

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...

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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 ...

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

Predictions of the combination of our recent model for the formation of planetary nebulae (due to a diverging pulsational instability) together with nuclear-burning shell flashing, with regard to formation of multiple shells, are explored and discussed.

Energy Technology Data Exchange (ETDEWEB)

In the framework of the search for a ceramic material usable in the radioactive waste storage, uranium and thorium phosphates have been investigated. Their experimental synthesis conditions have been entirely reviewed, they lead to the preparation of four new compounds: U(UO{sub 2})(PO{sub 4}){sub 2}, U{sub 2}O(PO{sub 4}){sub 2}, UCIPO{sub 4}, 4H{sub 2}O, and Th{sub 4}(PO{sub 4}){sub 4}P{sub 2}O{sub 7}. Experimental evidenced are advanced for non existent compounds such as: U{sub 3}(PO{sub 4}){sub 4}, U{sub 2}O{sub 3}P{sub 2}O{sub 7} and Th{sub 3} (PO{sub 4}){sub 4}. Characterization by several techniques (X-rays and neutron powder diffractions, UV-Visible and Infra-red spectroscopies, XPS,...) were performed. The ab initio structure determination of U(UO{sub 2})(PO{sub 4}){sub 2} has been achieved by X-rays and refined by neutron diffractions. Through its physico-chemical analysis, we found that this compound was a new mixed valence uranium ...

Energy Technology Data Exchange (ETDEWEB)

The activities of Shell Hydrogen in the development of a hydrogen economy are outlined. Attention is paid to the use of hydrogen in electric cars and in homes, different types of fuel cells, and the catalytic partial oxidation (CPO) process of Shell to produce hydrogen.

KoreaScience (Korea)

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International Nuclear Information System (INIS)

One-dimensional core-shell polymer nanowires offer many advantages and great potential for many different applications. In this paper we introduce a highly versatile two-step template wetting process to fabricate two-component core-shell polymer nanowires with controllable shell thickness. PLLA and PMMA were chosen as model polymers to demonstrate the feasibility of this process. Solution wetting with different concentrations of polymer solutions was used to fabricate the shell layer and melt wetting was used to fill the shell with the core polymer. The shell thickness was analyzed as a function of the polymer solution concentration and viscosity, and the core-shell morphology was observed with TEM. This paper demonstrates the feasibility of fabricating polymer core-shell nanostructures using our two-step template ...

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 ...

Science.gov (United States)

Circular cylindrical shells with support subjected to lateral or hydrostatic pressure, using Koiter postbuckling theory

International Nuclear Information System (INIS)

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

KoreaScience (Korea)

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KoreaScience (Korea)

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International Nuclear Information System (INIS)

The shell integrity near peak compression of spherical implosions using the 60-beam, 30-kJ UV OMEGA laser system [Opt. Commun. 133, 495 (1997)] has been measured. Hot core emission backlights a shell with a thin titanium-doped layer that is imaged at x-ray photon energies above and below the titanium K edge. The x-ray intensity ratio between the two images is related to perturbations in the cold, or absorbing, part of the shell. The measured cold-shell areal-density modulations, integrated over the time of peak compression, are of the order of 25% to 50% with nonuniformity spectra peaked at spatial wavelengths of 30 to 50 #mu#m and with the smallest detectable nonuniformity features extending down to spatial wavelengths of 12 to 15 #mu#m. Hot-shell areal-density modulations of the emitting part of the shell (inner edge) are of the order of 13% to 20%. The ...

International Nuclear Information System (INIS)

The method of an effective potential is used to investigate the possible types of evolution of vacuum shells in the Friedmann-Schwarzschild world. Such shells are assumed to emerge during phase transitions in the early Universe. The possible global geometries are constructed for the Friedmann-Schwarzschild worlds. Approximate solutions to the equation of motion of a vacuum shell have been found. The conditions under which the end result of the evolution of the vacuum shells under consideration is the formation of black holes and wormholes with baby universes inside have been found. The interior of this world can be a closed, flat, or open Friedmann universe.

International Nuclear Information System (INIS)

We use functional integral techniques to calculate the scattering amplitude for four open off-shell tachyons in Witten's string field theory and show that the residues of the first three poles agree with those obtained using oscillator methods. (orig.).

Energy Technology Data Exchange (ETDEWEB)

A statistical treatment has been applied to interpret the experimental data on the Xe M-shell vacancy production in slow 1.05 MeV Xe-Xe collisions and is shown to give better agreement with experiment than that of the molecular-orbital models.

International Nuclear Information System (INIS)

Probabilities of flucton production have been calculated for the 1p-shell nuclei and its modification by the Yastrov method. The results obtained are in a qualitative agreement with the data resulting from the analysis of experiment in an assumption of a flucton mechanism of proton-nuclear inclusive reactions with the production of cumulative particles.

UK PubMed Central (United Kingdom)

The multidrug efflux transporter AcrAB-TolC is known to pump out a diverse range of antibiotics, including β-lactams. However, the kinetic constants of the efflux process, needed for the quantitative...Full Text Available

International Nuclear Information System (INIS)

The time behaviors of intermittent turbulence in Gledzer-Ohkitani-Yamada model are investigated. Two kinds of orbits of each shell which is in the inertial range are discussed by portrait analysis in phase space. We find intermittent orbit parts wandering randomly and the directions of unstable quasi-periodic orbit parts of different shells form rotational, reversal and locked cascade of period three with shell number. We calculate the critical scaling of intermittent turbulence and the extended self-similarity of the two parts of orbit and point out that nonlinear scaling in inertial-range is decided by intermittent orbit parts.

International Nuclear Information System (INIS)

Li shell-model calculation has been made in the isospin formalism in the complete (0 + n)#Planck constant##omega# model space with the assumption of a closed core "4He. The calculation could probably be improved by use of a better effective interaction and increasing shell model space. With the use of faster computer with large memories, the authors are in hope of calculation in spsd shell-model space

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

The evaluation of calculated values determined by means of the equations given in the TRD 300/301 standard resulted in two nomographs by which it is possible to find the theoretical wall thickness of cylinder shells without cutouts and branches as well as cylinder shells with an inclined or vertical single branch without additional thickening. The equations for the calculation of cylinder shells with an inclined single branch according to TRD 301 having only an iterative solution, the nomographs will be a considerable help for the engineering work. The determination of the theoretical wall-thickness from the nomographs is demonstrated by means of examples.

British Library Electronic Table of Contents (United Kingdom)

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.

British Library Electronic Table of Contents (United Kingdom)

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

Science.gov (United States)

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

British Library Electronic Table of Contents (United Kingdom)

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

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

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This paper reports the results of an investigation into the vibration of functionally graded cylindrical shells with flowing fluid, embedded in an elastic medium, under mechanical and thermal loads. By considering rotary inertia, the first-order shear deformation theory (FSDT) and the fluid velocity potential, the dynamic equation of functionally graded cylindrical shells with flowing fluid is derived. Here, heat conduction equation along the thickness of the shell is applied to determine the temperature distribution and material properties are assumed to be graded distribution along the thickness direction according to a power-law in terms of the volume fractions of the constituents. The equations of eigenvalue problem are obtained by using a modal expansion method. In numerical examples, effects of material composition, thermal loading, static axial loading, flow velocity, medium stiffness and shell ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Mass distributions of fragments in the low-energy fission of nuclei from "1"8"7Ir to "2"1"3At have been analysed. This analysis has shown that shell effects in symmetric-mode fragment mass yields from the fission of pre-actinide nuclei could be described if one assumes the existence of two strongly deformed neutron shells in the arising fragments with neutron numbers N_1#approx#52 and N_2#approx#68. A new method has been proposed for quantitatively describing the mass distributions of the symmetric fission mode for pre-actinides with A#approx#180-220. (orig.)

Energy Technology Data Exchange (ETDEWEB)

The schematic model is extended to open-shell nuclei. The quasiparticle random-phase approximation plus core polarization are used to calculate multipole matrix elements M/sub n/ and M/sub p/. Calculated trends in the ratio of deformation parameters ..beta../sub n//..beta../sub p/ are compared with experimental ratios for several sets of isotopes and isotones. The systematics indicate a rather abrupt change toward equality of ..beta../sub n/ and ..beta../sub p/ when N or Z is changed from a closed-shell value.

Energy Technology Data Exchange (ETDEWEB)

Ion-photon and ion-Auger-electron coincidence measurements have been performed to study the impact parameter dependence of Xe M-shell excitation in 1.05 MeV Xe/sup 3 +/-Xe collisions. The experimental results are found to be consistent with the prediction of the molecular orbital model of atomic collisions. The average fluorescence yield for the Xe M shell is found to be strongly dependent on the impact parameter. This is ascribed to the production of highly charged Xe ions in close collisions.

International Nuclear Information System (INIS)

Total M shell X-ray production cross section for 11 elements with 69 #<=# Z #<=# 92 have been measured using an incident photon energy of 5.96 keV. Measurements have been performed using an "5"5Fe annular source and a Si(Li) detector. Average M shell fluorescence yield at each incident photon energy has been deduced, using the experimental total M X-ray production cross section and theoretical M shell photoionization cross section. Present experimental results are compared with other experimental and theoretical values. Reasonable agreement (to within 0.3-28%) is typically obtained between present and other experimental and theoretical values.

Science.gov (United States)

... explosive (shotgun shells, etc.) method of forming is being replaced--for the most part--by the electri- cal discharge and magnetic forming methods. ...

Energy Technology Data Exchange (ETDEWEB)

Presently, most charge state distributions produced with highly charged ion sources are predicted with models that approximate the ionization process with the Lotz formula. The Lotz ionization cross sections decrease approximately geometrically with increasing charge state except for ions with very few vacancies, for ions with very few electrons, and for electron impact energies which barely exceed the ionization energy. The geometrical decrease causes these models to predict a maximum abundance for most of the charge states, which is only weakly dependent on the charge state. Experimental results, however, yield much higher abundances for ions with an empty M shell than ions with a partly filled M shell. This difference is explained with indirect ionization processes that are neglected by the Lotz approximation, and normally can be neglected for the ionization of the L shell, but can dominate the ionization of the M ...

Energy Technology Data Exchange (ETDEWEB)

We study how the effect of closed-string tachyon condensation can enter into the on-shell effective action of open-string tachyons in the bosonic case. We also consider open-string one-loop quantum corrections to the on-shell action. We use a sigma-model approach with boundary terms, and we utilize some results of boundary string field theory (BSFT) to define the on-shell effective action. We regard D-instanton-like objects with appropriate weight as closed-string tachyon tadpoles, and we insert them into worldsheets to analyze the effect of closed-string tachyons. (author)

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Radial sonic crystals (RSC) are fluidlike structures infinitely periodic along the radial direction that verify the Bloch theorem and are possible only if certain specially designed acoustic metamaterials with mass density anisotropy can be engineered (see Torrent and Sanchez-Dehesa 2009 Phys. Rev. Lett. 103 064301). A comprehensive analysis of two-dimensional (2D) RSC shells is reported here. A given shell is in fact a circular slab with a central cavity. These finite crystal structures contain Fabry-Perot-like resonances and modes strongly localized at the central cavity. Semi-analytical expressions are developed to obtain the quality factors of the different resonances, their symmetry features and their excitation properties. The results reported here are completely general and can be extended to equivalent 3D spherical shells and to their photonic counterparts.

International Nuclear Information System (INIS)

The semiclassical approximation with straight-line trajectories is applied to the Coulomb ionization of K, L and M shells by heavy charged particles. The calculational aspects are discussed in detail. Scaling relations for the experimentally relevant quantities are derived. The theoretical predictions are compared with experiment. The relation of the present work to the earlier results of the semiclassical approximation and partial-wave Born approximation is discussed in detail. (author).

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In this note we prove to all orders in the small scale expansion that all off-shell parameters which appear in the chiral effective Lagrangian with explicit DELTA(1232) isobar degrees of freedom can be absorbed into redefinitions of certain low-energy constants and are therefore redundant.

International Nuclear Information System (INIS)

This paper deals with an analysis of a single specimen of Tentaculites crotalinus SALTER emend. CIGUEL et al. (1984) that present a possible partial preservation of the shell. It comes from an outcrop of the Grossa Formation (Devonian) near Jaguariaiva, State of Parana. The skeletal microstructure of the Tentaculitoidea shell rather poorly Known. Thus, the phylogenetic relationships of these invertebrates still uncertain. Tentaculitids are very common fossils in Devonian Ponta Grossa Formation (Parana Basin) but so far Known only from external and internal moulds. The objective of this study is to demonstrate wheter the layer found in between the internal and external mould is or not a case shell preservation. The chemical composition of this layer and of the external mould was analysed by X rays. X rays difratometry was applied only to the matrix (at the external mould). The structure of the supposed ...

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This document provides structural load requirements and their basis for maintaining the structural integrity of the Hanford Single-Shell Tanks during waste feed delivery and retrieval activities. The requirements are based on a review of previous requirements and their basis documents as well as load histories with particular emphasis on the proposed lead transfer feed tanks for the privatized vitrification plant.

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Six safety initiatives have been identified for accelerating the resolution of waste tank safety issues and closure of unreviewed safety questions. Safety Initiative 5 is to reduce safety and environmental risk from tank leaks. Item d of Safety Initiative 5 is to complete corrosion studies of single-shell tanks to determine failure mechanisms and corrosion control options to minimize further degradation by June 1994. This report has been prepared to fulfill Safety Initiative 5, Item d. The corrosion mechanisms that apply to Hanford Site single-shell tanks are stress corrosion cracking, pitting/crevice corrosion, uniform corrosion, hydrogen embrittlement, and microbiologically influenced corrosion. The corrosion data relevant to the single-shell tanks dates back three decades, when results were obtained from in-situ corrosion coupons in a few single-shell tanks. Since that time there have been intertank ...

Energy Technology Data Exchange (ETDEWEB)

K beta X-ray lines from partially M-shell-ionized ions of titanium through nickel which are produced in vacuum-spark plasmas have been observed systematically for the first time, using a high-resolution curved-crystal spectrometer. Each K beta line is clearly separated into its corresponding charge state. As a result, it is possible to measure the K beta-type transition energies of the M-shell-ionized ions. The transition energies accurately determined are compared with those calculated for iron ions, and the agreement is excellent except for ions having some additional 3d outer-shell electrons or 3s inner-shell vacancies. The square root of the K beta transition frequency is expressed as a linear function of the nuclear charge for isoelectronic sequences. The effective nuclear charges have been also determined for each K beta transition. The 3p electrons do not affect the effective nuclear charges. 10 ...

Science.gov (United States)

Magnetic drug targeting, using core-shell magnetic carrier particles loaded with anti-cancer drugs, is an emerging and significant method of cancer treatment. Gold shell-iron core nanoparticles (Fe@Au) were synthesized by the reverse micelle method with aqueous reactants, surfactant, co-surfactant and oil phase. XRD, XPS, TEM and magnetic property measurements were utilized to characterize these core-shell nanoparticles. Magnetic measurements showed that the particles were superparamagnetic at room temperature and that the saturation magnetization decreased with increasing gold concentration. The anti-cancer drug doxorubicin (DOX) was loaded onto these Fe@Au nanoparticle carriers and the drug release profiles showed that upto 25% of adsorbed drug was released in 80 h. It was found that the amine (-NH2) group of DOX binds to the gold shell. An in vitro apparatus simulating the human circulatory system ...

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In this study, SnO{sub 2} thin films have been grown using spray pyrolysis technique on glass substrates under a substrate temperature (T{sub s} = 440 {sup o}C). The precursors were methanol CH{sub 4}O and anhydrous tin tetrachloride. XRD analyses yielded strong (1 1 0)-(1 0 1)-(2 0 0) X-ray diffraction peaks which are characteristics to tetragonal crystals. Atomic Force Microscopy (AFM) analyses showed the existence of clusters with particular pyramidal shapes. The main part of this study concerns the optical measurements of transmittance T({lambda}) and reflectance R({lambda}) spectra inside 250-1800 nm domain. Conjoint optical and thermal properties were deduced using the Amlouk-Boubaker Opto-Thermal Expansivity {psi}{sub AB}. The obtained value: {psi}{sub AB} {approx} 23.4 m{sup 3} s{sup -1} helped situating the performance of the as-grown SnO{sub 2} compound among most known PV-T oxides like ZnO and TiO{sub 2}.

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

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

The energy level schemes of the near "4"8Ca nuclei were investigated in the frame of the spherical shell model with pure configurations. For every nucleus two configurations were considered: the ground state configuration (GS) - calculated making use of empirical two-body interactions extracted from the level energies of the neighbouring nuclei, and the lowest energy configuration with one nucleon in the excited state (ES) - calculated making use of the two-body Kuo-Brown interactions. The results made it possible to explain the greater part of the so-called intruder levels. Comparison of the calculated and experimental level energy values epsilonsub(J)sup(calc)-epsilonsub(J)sup(exp) reveals systematic deviations of the experimental level energies from the shell model predictions. (orig.).

Energy Technology Data Exchange (ETDEWEB)

A new two-body interaction recently derived for nuclei in the 0f1p shell by fitting two-body matrix elements to 494 energy levels in A=41-66 nuclei, is used to investigate the neutron-rich nuclei in the vicinity of the doubly closed nuclide {sup 48}Ca. This study is of fundamental interest in providing a test for the new effective interaction away from the stability line. Masses and binding energies are calculated for a variety of neutron-rich nuclei and compared with experimental data, where available. In addition level schemes for {sup 50-52}Ca, {sup 51-52}Sc and {sup 51-52}Ti have been calculated and are compared with available experimental data. In general a good correspondence between theory and experiment is found, but some systematic discrepancies are apparent. ((orig.)).

Energy Technology Data Exchange (ETDEWEB)

Mass distributions of fragments in the low-energy fission of nuclei from {sup 187}Ir to {sup 213}At have been analysed. This analysis has shown that shell effects in symmetric-mode fragment mass yields from the fission of pre-actinide nuclei could be described if one assumes the existence of two strongly deformed neutron shells in the arising fragments with neutron numbers N{sub 1}{approx}52 and N{sub 2}{approx}68. A new method has been proposed for quantitatively describing the mass distributions of the symmetric fission mode for pre-actinides with A{approx}180-220. (orig.) 28 refs.

Energy Technology Data Exchange (ETDEWEB)

M-shell X-ray production cross sections for the light rare-earth elements of {sup 68}Er, {sup 7}Yb and {sup 71}Lu have been measured for incident {sup 4}He{sup +} ions in the energy range from 0.75 to 6 MeV. The measured X-ray production cross sections are compared to the predictions of the First Born approximation, the ECPSSR theory and the ECUSAR theory. A comparison of the ytterbium M-shell X-ray production cross sections with these theories is made for two different sets of fluorescence yields and Coster-Kronig factors that are further modified for multiple ionization.

British Library Electronic Table of Contents (United Kingdom)

The present paper deals with instabilities of long homogeneous and isotropic thin shells, characterized by geometrical non-linearities and imperfections, with reference to a bent helicoidally geometrical shape of particular interest for the helicoidal steam generators tube bundle. Apparently no data exist in the literature to describe the non-linear buckling behaviour of curved thin shells under external pressure, thus, the theoretical analyses based on the classical linear elastic theory, as expected, might be inadequate to evaluate the collapse load especially if the curvature is rather large. To the purpose of determining the buckling pressure load the effects of a pre-existing level of geometrical and technological imperfection, unavoidably caused by various manufacturing processes wer...

British Library Electronic Table of Contents (United Kingdom)

Fine-grained BaTiO3-based X7R ceramic materials were prepared and the effects of milling process on the core-shell structures and dielectric properties were investigated using scanning electron microscope, transmission electron microscope, and energy dispersive spectroscopy (EDS). As the milling time extends, the dielectric constant of the ceramics increases, whereas the temperature coefficient of capacitance at 125degreeC drops quickly. The changes in dielectric properties are considered relevant to the microstructure evolution caused by the milling process. Defects on the surface of BaTiO3 particles increase because of the effects of milling process, which will make it easier for additives to diffuse into the interior grains. As the milling time increases, the shell region gets thicker a...

UK PubMed Central (United Kingdom)

Latent inhibition (LI) manifests as poorer conditioning to a CS that has previously been presented without consequence. There is some evidence that LI can be potentiated by reduced mesoaccumbal dopamine...Full Text Available

International Nuclear Information System (INIS)

We calculate parity-dependent level densities for the even-even isotopes "5"8","6"2","6"6Fe and "5"8Ni and the odd-A nuclei "5"9Ni and "6"5Fe using the shell model Monte Carlo method. We perform these calculations in the complete fp-gds shell-model space using a pairing+quadrupole residual interaction. We find that, due to pairing of identical nucleons, the low-energy spectrum is dominated by positive parity states. Although these pairs break at around the same excitation energy in all nuclei, the energy dependence of the ratio of negative-to-positive parity level densities depends strongly on the particular nucleus of interest. We find equilibration of both parities at noticeably lower excitation energies for the odd-A nuclei "5"9Ni and "6"5Fe than for the neighboring even-even nuclei "5"8Ni and "6"6Fe.

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We present photoelectric BVRI photometry for 16 T Tau and related stars in the Rho Oph dark cloud, as well as vidicon spectroscopic observations for nine stars. The color excesses of these stars favor circumstellar dust shells as the source of the observed infrared excesses.

International Nuclear Information System (INIS)

(Jan 1974). United States McKnight, RH Thornton, ST Karlowicz, RR

International Nuclear Information System (INIS)

The connections between several studies of the off-shell amplitude, based on apparently different criteria, are first clarified and expressed through more coincise operator notion. In all cases the resolution of the underlying dynamical relations is reduced to a two-step procedure. Underconditions which are discussed, the latter implies only Volterra-like integral equations followed by simple quadratures and algebraic operations. Then it is shown that the off-shell generalizations of the Jost formalism which are defined by such approaches can as well be introduced without reference to any explicit dynamical framework. Examples are given specifying in such model independent ways the main properties of the associated Jost-type functions. The relative interest of different representations built with these functions is also examined, and on this occasion new three-separable-term approximations are a useful guideline for introducing similar ...

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

With collaboration between chemistry, X-ray crystallography, and molecular modeling, we designed and synthesized a series of novel piperazine sulfonamide BACE1 inhibitors. Iterative exploration of the non-prime side and S2prime sub-pocket of the enzyme culminated in identification of an analog that potently lowers peripheral Ab40 in transgenic mice with a single subcutaneous dose.

UK PubMed Central (United Kingdom)

Monoclonal antibodies (mAb) to ovine T-lymphocyte molecules SBU-T8 (Maddox, Mackay & Brandon, 1985), the cytotoxic T lymphocyte, human CD8 equivalent, and SBU-T6 (Mackay et al., 1985), the immature...Full Text Available

UK PubMed Central (United Kingdom)

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

Science.gov (United States)

An exact solution method for the free vibration problem of thin circular cylindrical shells is presented. The differential equations of motion are solved directly with the use of simple Fourier series as the modal displacement functions. Stokes' transformation is exploited to obtain correct series expressions for the derivatives of the Fourier series. From this method an explicit expression of the exact frequency equation can be obtained for any kind of boundary conditions. The accuracy of the present method is checked against available data. The proposed method is then used to find the modal characteristics of the thermal liner of the Fast Test Reactor (FTR). The numerical results obtained are compared with finite element method solutions. (auth)

International Nuclear Information System (INIS)

The K-shell X-ray intensity ratios for W, Au, Tl, Pb, Bi, Th and U were measured at a photon incident energy of 121.9 keV from "5"7Co radionuclide. A comparison between the experimental results and the theoretically calculated values shows that the experimental results are, in general, higher than the theoretical values. The measured intensities are regarded to be reported for the first time. (author) 9 refs.; 1 tab.

Science.gov (United States)

The masses of 16 neutron-rich nuclei in the mass range from 35 to 45 have been measured using a direct time of flight technique following the fragmentation of a {sup 48}Ca beam at 60 MeV/nucleon. The masses of {sup 35,36}Mg, {sup 38}Al, {sup 39,40}Si, {sup 42,43}P and {sup 43,44}S are reported for the first time. Preliminary analysis shows that the N=28 shell closure persists, even if weakened by the large neutron excess.

Energy Technology Data Exchange (ETDEWEB)

Energy levels in N=50 nuclei are calculated allowing single-particle excitations from the p{sub 1/2} and g{sub 9/2} shells into the d{sub 5/2}, s{sub 1/2}, d{sub 3/2}, and g{sub 7/2} shells. Important parts of the interaction are determined by least-squares fits to known levels. Agreement with experiment is very good. The high-spin particle-hole states appear to be mainly yrast levels in mass 93 and higher, but are not in {sup 90}Zr. {copyright} {ital 1997} {ital The American Physical Society}

International Nuclear Information System (INIS)

The L-subshell and total M-shell X-ray production cross sections of Ta, W, Pt, Au, Pb and Bi have been measured by protons of energy between 0.7 and 2.4 MeV. The obtained results for X-ray production cross sections have been compared with the existing experimental data, prediction of the ECPSSR theory and also with fitted empirical cross sections of Strivay and Weber.

International Nuclear Information System (INIS)

An island of isomers have recently been observed on both sides of the N=40 shell below the Ni isotopes. Isomeric states in the 65Fe and 67Fe allow the knowledge of the single particle structure around the #nu#g9/2 shell. Moreover, the excitation energy of the first 2+ and 4+ states in the 68Fe have been established by #beta#-#gamma# correlation. The evolution of the structure of the Fe isotopes going far away from the valley of stability is, for the first time, given for N>40.

Energy Technology Data Exchange (ETDEWEB)

Nanoparticles represent versatile building blocks in material science and nanotechnology. Thereby, the defined assembly of nanostructures (13 and 56 nm in diameter, respectively) is of significant importance. Short DNA sequences can be bound to the nanoparticle surface thus enabling highly specific DNA hybridization-driven events that direct the formation of nanoparticle constructs.In this paper, examples for the defined formation of gold nanoparticle constructs are demonstrated. In addition, gold-silver core-shell nanoparticles are introduced as further building blocks for the hybridization-controlled formation of nanoparticle constructs.

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An alkali-like ion interaction with inner electrons of an alkali-like ion leads to a significant increase in the photoionization cross section of the outer s electron. This occurs not only for ground-state ions with one s electron in the outer shell, but also when the outer s electron is in an excited state. The reason for this amplification, in addition to coherent enhancement in summing of the correlation amplitudes, is that the zero in the direct amplitude occurs below threshold. This leads to a constructive interference with the correlation amplitude above the photoionization threshold, in contrast to a destructive interference in the case of a neutral atom with the same electronic configuration, for which the zero occurs above threshold. Results of this research were published.

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In this study attempts have been made to utilize biomass residues in a proper and efficient way. As a part of these attempts activated charcoal has been produced from coconut shell. The effects of temperature, time and impregnation ratio on activation and yield have also been studied. Experimental results show that higher temperature produces better activation but lower yield. The optimum values for activation time and impregnation ratio in producing activated charcoal were 50 min and 40%, respectively, at 600{sup o}C. (Author)

International Nuclear Information System (INIS)

M-shell x-ray production cross sections for selected heavy elements, namely, _7_2Hf, _7_3Ta, _7_4W, _7_5Re, _7_6Os, _7_7Ir, _7_8Pt, _7_9Au, _8_3Bi, and _9_0Th, were measured for protons of energy 0.6--4.0 MeV. The experimental results are compared with the predictions of the first Born and semiclassical approximations for M-shell ionization; these data are also compared with the theory that accounts for the projectile's energy loss and Coulomb deflection as well as for the target's M-shell electron perturbed stationary state and relativistic nature (ECPSSR). Generally, fair agreement between the data and the ECPSSR theory is found. Some systematical discrepancies observed for the lightest elements (Hf, Ta, and W) are explained as possible ambiguities in the M-shell Coster-Kronig factors and fluorescence yields, which were used to convert theoretical M-subshell ionization cross sections to the total ...

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.

CERN Document Server

During searches for new optical Galactic supernova remnants (SNRs) in the high resolution, high sensitivity Anglo-Australian Observatory/United Kingdom Schmidt Telescope (AAO/UKST) HAlpha survey of the southern Galactic plane, we uncovered a variety of filamentary and more diffuse, extensive nebular structures in the vicinity of Wolf-Rayet (WR) star 48 (Theta Muscae), only some of which were previously recognised. We used the double-beam spectrograph of the Mount Stromlo and Siding Spring Observatory (MSSSO) 2.3-m to obtain low and mid resolution spectra of selected new filaments and structures in this region. Despite spectral similarities between the optical spectra of WR star shells and SNRs, a careful assessment of the new spectral and morphological evidence from our deep HAlpha imagery suggests that the putative shell of Theta Mus is not a WR shell at all, as has been commonly accepted, but is rather part of a more ...

International Nuclear Information System (INIS)

For the first time a comprehensive level and decay scheme has been obtained for a T=(5/2) nucleus in the s-d shell ("2"7Na) by using a radioactive beam and target. Particle-#gamma# and p-#gamma#-#gamma# coincidences were measured following the "1"4C("1"4C,p#gamma#)"2"7Na reaction at E_l_a_b=22 MeV. The results do not support an inversion of the 2s_1_/_2 and 1d_5_/_2 orbitals, as previously proposed for T_z#>=#3, but they do suggest an increased N=16 gap between the 2s_1_/_2 and 1d_3_/_2 orbitals due to the neutron excess. A consistent interpretation of the level scheme in terms of the s-d shell model using the USD Hamiltonian is possible below 4 MeV, but differences increase at higher excitation energies. Another interpretation is that the influences of both the p_1_/_2 and f_7_/_2 intruder orbitals increase simultaneously with increasing T, an effect not included in the USD Hamiltonian.

International Nuclear Information System (INIS)

The results of X-ray and neutron diffraction experiments on molten alkali halides in which some data of our experiments by X-ray diffraction such as those of molten LiCl, NaCl, KCl, LiBr and KBr are included were summarized. The first peak positions in the radial distribution function in molten alkali halides by X-ray or neutron diffraction experiments are always longer than those by computer simulations and the differences of 0.1 -- 0.3 A exceed the experimental error. It seems to be due to the deformation of the electron shell. In the computer simulation, the shell model which has the spherical deformation was expected to have more closer value of the first peak position to the experimental one than the rigid ion model by taking the polarization of ions. However, no change in the first peak position was found. Therefore, the non-spherical deformation of electron shell at the point where ions are in contact with each other ...

International Nuclear Information System (INIS)

We investigate the effects of single-particle structure and pairing on the equilibration of positive and negative-parity level densities for the even-even nuclei "5"8","6"2","6"6Fe and "5"8Ni and the odd-A nuclei "5"9Ni and "6"5Fe. Calculations are performed using the shell model Monte Carlo method in the complete fp-gds shell-model space using a pairing+quadrupole type residual interaction. We find for the even-even nuclei that the positive-parity states dominate at low excitation energies due to strong pairing correlations. At excitation energies at which pairs are broken, single-particle structure of these nuclei is seen to play the decisive role for the energy dependence of the ratio of negative-to-positive parity level densities. We also find that equilibration energies are noticeably lower for the odd-A nuclei "5"9Ni and "6"5Fe than for the neighboring even-even nuclei "5"8Ni and "6"6Fe.

International Nuclear Information System (INIS)

The inelastic energy losses for single collisions of Xe"+ ions with Xe targets have been measured for incident ion energies from 0.3 to 1.2 MeV and for scattering angles from 3"0 to 20"0. The energy losses were found to range from 1 to 11 keV with distinct steps at distances of closest approach of 0.22 and 0.12 A. By comparing these data with earlier ionization data by the same authors these steps are shown to be caused by M-shell excitation. Other excitations observed in the ionization data may be attributed to N-shell excitation. The distances of closest approach at which these excitations occur agree well with calculations by Eichler and Wille and co-workers, giving further evidence of the usefulness of Fano and Lichten's one-electron molecular model and these calculations.

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Ionising radiation induces stable free radicals in chicken bones and in the shell of chicken eggs which can be detected, by the electrons spin resonance (ESR) technique, well beyond the shelf-life of the food and can be used for dosimetry. The method usually adopted to evaluate ``a posteriori`` the dose given during the ionising radiation treatment of food, is the dose additive method. To assess the dose, the ESR signal amplitude of the irradiated food (bone or egg shell in the present case) is measured and then the dose-effect relationship is obtained by re-irradiating the sample with some additive doses (usually of 1 kGy). The dose-effect curve is back-extrapolated and the initial given dose determined. At the Istituto Superiore di Sanita (ISS), Rome, Italy, a research programme was approved two years ago aimed to, (1) study new methodological approaches for ESR dose assessment, and (2) analyse the factors which may influence the ESR readout ...

Energy Technology Data Exchange (ETDEWEB)

The current status of the ZTH vacuum liner design is covered by this report. ZTH will be the first experiment to be installed in the CPRF (Confinement Physics Research Facility) at the Los Alamos National Laboratory and is scheduled to be operational at the rated current of 4 MA in 1992. The vacuum vessel has a 2.4 m major radius and a 40 cm minor radius. Operating parameters which drive the vacuum vessel mechanical design include a 300 C bakeout temperature, an armour support system capable of withstanding 25 kV, a high toroidal resistance, 1250 kPa magnetic loading, a 10 minute cycle time, and high positional accuracy with respect to the conducting shell. The vacuum vessel design features which satisfy the operating parameters are defined. The liner is constructed of Inconel 625 and has a geometry which alternates sections of thin walled bellows with rigid ribs. These composite sections span between pairs of the 16 diagnostic stations to complete the torus. The ...

British Library Electronic Table of Contents (United Kingdom)

A magnetic core/shell Fe3O4/FeMnOx catalyst was prepared by a simple oxidation-precipitation method. The catalyst was characterized by X-ray diffraction, transmission electron microscope, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis and cyclic voltammetry. The characterization studies verified that Fe3O4 core was coated with a layer of Fe-Mn oxide. The Fe3O4/FeMnOx was found to be an effective and stable heterogeneous catalyst for the discoloration of methylene blue (MB) in aqueous solution by H2O2. The high catalytic activity is due to the FeMnOx shell, which not only increased the surface hydroxyl groups, but also enhanced the interfacial electron transfer. The discoloration of MB could be due to the decomposition of H2O2 into ?OH ...

Energy Technology Data Exchange (ETDEWEB)

The C/Z{sub N} orbifold of type II string theory has localized tachyons with m{sup 2} ranging from -1+1/N to -2/N in units of 2/{alpha}'. We show that by restricting attention to the lightest tachyons it is possible to take a zero-slope limit where N is taken to infinity while N{alpha}' is held fixed. This is done by applying Buscher duality in the angular direction of the cone to obtain a supergravity solution on which the tachyons are gravitational instabilities. In this picture, supergravity provides a natural off-shell description of the tachyonic interactions. For example, the three-point couplings can be read off easily (to leading order in 1/N) from the supergravity action, and are in agreement with the on-shell couplings computed using CFT techniques. (author)

International Nuclear Information System (INIS)

This paper is concerned with the fracture analysis of thin cylindrical shells subject to secondary bending stresses with some degree of elastic follow-up. A P.Y.F.M. failure assessment route is utilised for an initial investigation. Results are presented graphically and indicate the differences obtained by considering the stresses as primary or secondary in nature. The Jsup(*) contour integral is computed from the results of a non-linear finite element analysis of a thermally loaded cracked cylinder. Comparison is made between Jsup(*) and the P.Y.F.M. failure criteria demonstrating the degree of conservatism in the latter. It is observed that LEFM may be appropriate for moderate load levels but that the elastic follow-up of the structure causes enhancement of Jsup(*) for higher loads, at which stage LEFM becomes non-conservative. (orig.).

British Library Electronic Table of Contents (United Kingdom)

In this paper, multilayer oxide nanorods were deposited in the nanopores of anodic aluminum oxide (AAO) via solution infiltration followed by heat treatment. The nanorods have a core-shell structure. First, the shell (nanotube) with the thickness of about 40nm was made of TiO"2 through the hydrolysis of (NH"4)"2TiF"6. Second, silver nanoparticles with the diameter of about 3nm were added into the TiO"2 layer through thermal decomposition of AgNO"3 at elevated temperatures. Then, cylindrical cores (nanorods) of CoO and ZnO with 200nm diameter were prepared, respectively. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterize the structure and composition of the nanorods. UV-vis light absorption measurements in the wavelength range from 350 to...

Energy Technology Data Exchange (ETDEWEB)

The Superphenix 750-MW (thermal), once-throughtype steam generators are the result of over 10 years of intensive research and development. Detailed design and manufacture of the components lasted from 1977 to 1982. The main difficulties encountered during the construction of these prototype units concerned: demonstration of satisfactory high-temperature properties of Alloy 800 tubes; proven resistance of tube welds to thermal fatigue and of structures and shells to sodium/ water reaction effects; prevention of the tube bundle to flow-induced vibration; necessity of manual welding of shells to prevent hot cracking hazards related to the boron content of the steel; and welding of heat exchange tubes. None of these difficulties, however, invalidated initial major design choices, but provided a wealth of technical and technological experience and knowledge for the steam generators of the future. Plans for the future include revision of the ...

International Nuclear Information System (INIS)

We have performed extended X-ray absorption fine structure (EXAFS) analysis for artificial Cr-goethite to elucidate the local structure around Cr in Cr-goethite. The spectra were obtained using synchrotron radiation X-rays at the Photon Factory in Tsukuba. The first shell contributions were isolated by Fourier filtering EXAFS data, and the inverse Fourier transformed single-shell data were analyzed using a curve fitting method. The results show that Cr is coordinated with (7#+-#1)O"2"- ions. The protective characteristics of the Cr-goethite protective rust layer on weathering steel can be interpreted in terms of the O"2"- coordination around Cr"3"+ resulting in the creation of negative fixed charge in the Cr-goethite particles. (author)

Energy Technology Data Exchange (ETDEWEB)

The Rotary Mode Core Sample System (RMCSS) is used to obtain stratified samples of the waste deposits in single-shell and double-shell waste tanks at the Hanford Site. The samples are used to characterize the waste in support of ongoing and future waste remediation efforts. Four sampling trucks have been developed to obtain these samples. Truck I was the first in operation and is currently being used to obtain samples where the push mode is appropriate (i.e., no rotation of drill). Truck 2 is similar to truck 1, except for added safety features, and is in operation to obtain samples using either a push mode or rotary drill mode. Trucks 3 and 4 are now being fabricated to be essentially identical to truck 2.

International Nuclear Information System (INIS)

The L-shell x-ray intensity ratios I(L_#beta#)/I(L_#alpha#) and I(L_#gamma#)/I(L_a_l_p_h_a) for elements with 73 #<=# Z #<=# 83 have been measured at photon incident energies of 17.8, 25.8 and 46.9 keV. The emitted x-rays were measured with a Si(Li) detector system. The results for Re, Pt and Tl are being reported for the first time. A comparison is made of the experimental results with the calculated values obtained by using the theoretical x-ray emission rates, subshell ionisation cross sections, subshell fluorescence yields and Coster-Kronig transition probabilities. The experimental results are in reasonable agreement with the theoretical values. (author).

Energy Technology Data Exchange (ETDEWEB)

Off-shell interactions for localized closed-string tachyons in C/Z{sub N} superstring backgrounds are analyzed and a conjecture for the effective height of the tachyon potential is elaborated. At large N, some of the relevant tachyons are nearly massless and their interactions can be deduced from the S-matrix. The cubic interactions between these tachyons and the massless fields are computed in a closed form using orbifold CFT techniques. The cubic interaction between nearly-massless tachyons with different charges is shown to vanish and thus condensation of one tachyon does not source the others. It is shown that to leading order in N, the quartic contact interaction vanishes and the massless exchanges completely account for the four point scattering amplitude. This indicates that it is necessary to go beyond quartic interactions or to include other fields to test the conjecture for the height of the tachyon potential. (author)

Energy Technology Data Exchange (ETDEWEB)

RODbaffle heat exchanger is a kind of shell-and-tube heat exchanger with eminent performance. Because of the characteristics of tube bundle support structure, fluid flow on shellside is longitudinal and periodical, and fluid flow is of symmetry in landscape orientation. According to the fluid flow characteristics on shellside and ignoring the impact of inlet, outlet and shell wall, a periodic flow unit duct was taken as the simplified model of the shellside to perform numerical simulation by using CFD code, FLUENT. It was found that the both errors in magnitude of the main fluid velocities and heat transfer coefficients between results of simulation and that of experiment or correlations are less than 10%, and the errors of pressure drop between simulation and correlation are no more than 20%. The detailed characteristics and relation of fluid flow and heat transfer on shellside of the RODbaffle heat exchanger were analyzed using the simulation ...

International Nuclear Information System (INIS)

K-shell x-ray production cross sections and K#beta#/K#alpha# ratios have been measured for thin targets of Ti, V, Cr, Fe, Ni, Cu, Zn, Ga, As, Se, Rb, Sr, and Y for 0.5- to 2.5-MeV alpha particles. The experimental values are compared to the nonrelativistic plane-wave Born approximation (PWBA), the binary-encounter approximation, and the PWBA with binding energy and Coulomb deflection corrections. The PWBA with corrections provides the best agreement with the experimental cross sections.

Energy Technology Data Exchange (ETDEWEB)

The experimental study of the proton-rich nuclei close to the N=Z line is a constant challenge for nuclear spectroscopy, mainly due to the difficulty to produce them with the currently available beam/target combinations. Significant advances on this direction were obtained from experiments performed with the GASP array during the last two years: the yrast line of {sup 84}Mo was extended up to 10{sup +}, {sup 88}Ru observed for the first time, and the N=Z+1 line was mapped from {sup 81}Zr to {sup 95}Ag. These new results allow us to have a more complete image of the transition from the well-deformed shell closure at N,Z=40 to the spherical-shell closure at N,Z=50, and highlights some particular effects that can be observed only in the vicinity of the N=Z line. (orig.)

International Nuclear Information System (INIS)

For pt.I see ibid., vol.516, p.426-48, 1998. Manifest N=2 supersymmetric hypermultiplet mass terms can be introduced in the projective N=2 superspace formalism. In the case of complex hypermultiplets, where the gauge covariantized spinor derivatives have an explicit representation in terms of gauge prepotentials, it is possible to interpret such masses as vacuum expectation values of an Abelian vector multiplet. The duality transformation that relates the N=2 off-shell projective description of the hypermultiplet to the on-shell description involving two N=1 chiral superfields allows us to obtain the massive propagators of the N=1 complex linear fields in the projective hypermultiplet. The N=1 massive propagators of the component superfields in the projective hypermultiplet suggest a possible ansatz for the N=2 massive propagator, which agrees with an explicit calculation in N=2 superspace. (orig.).

British Library Electronic Table of Contents (United Kingdom)

This paper is concerned with the study of the Electrorheological RayleighTaylor instability (ERTI) at the interface between a densely packed saturated poorly conducting couple stress porous layer accelerated by a lighter poorly conducting couple stress fluid in a thin shell in the presence of a transverse electric field and laser radiation. A simple theory based on fully developed flow approximations is used to derive the dispersion relation for the growth rate of ERTI. The cutoff and the maximum wave numbers and the corresponding maximum frequencies are obtained. It is shown that the effects of couple stress parameter and the electric field reduce the growth rate considerably compared to a non-conducting fluid in the absence of an electric field. These are favorable to control the surface...

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.

Energy Technology Data Exchange (ETDEWEB)

Biosorption of lead from aqueous solutions by living and immobilized cell of C. freundii was examined as a function of metal concentration in a batch laboratory bioreactor. Lead concentrations were analyzed using Atomic Absorption Spectrophotometer (AAS). X-ray Energy Dispersion (EDX) analyses were made in order to determine the accumulation of lead on the cells and shell surfaces. Before and after the experiments the biomaterials and adsorbents were examined by Scanning Electron Microscopy (SEM). Biosorption was detected over a range of initial lead concentrations from 25{times}10{sup -3} to 200{times}10{sup -3} kg/m{sup 3}. 15 refs., 4 figs.

International Nuclear Information System (INIS)

L_#alpha#/L_l X-ray intensity ratios have been measured in elements Ta, W, Au, Hg, Tl, Pb, Bi, Th and U using L-shell photoionization by 60 keV photons. The present results are found to agree with the calculated values of Scofield within experimental uncertainties. (author).

Energy Technology Data Exchange (ETDEWEB)

We discuss condensations of closed string tachyons localized in compact spaces. Time evolution of an on-shell condensation is naturally related to the worldsheet RG flow. Some explicit tachyonic compactifications of Type II string theory is considered, and some of them are shown to decay into supersymmetric theories known as the little string theories.

Energy Technology Data Exchange (ETDEWEB)

A microscopic calculation of the level density is performed, based on a combinatorial evaluation using a realistic single-particle level scheme. This calculation relies on a fast Monte Carlo algorithm, allowing to consider heavy nuclei (i.e., large shell model spaces) which could not be treated previously in combinatorial approaches. An exhaustive comparison of the predicted neutron s-wave resonance spacings with experimental data for a wide range of nuclei is presented.

Energy Technology Data Exchange (ETDEWEB)

The electron scattering form factor for excitation of the 1/sup +/ state of /sup 88/Sr at 3.486 MeV has been calculated in the quasiparticle random phase approximation (QRPA). The disagreement between the data and restricted shell-model calculations can be explained in terms of the pairing correlations introduced by the QRPA; no ..delta..-h admixtures are required.

International Nuclear Information System (INIS)

A design for passive cooling of large containment structures has progressed sufficiently to move forward into the detailed design stage necessary for plant construction. For such application, a safety analysis report has already been submitted to the US Nuclear Regulatory Commission. The design considers an annulus between the inner steel containment vessel and outer, thick-walled concrete shield building with chimney-like natural convection cooling driven only by a density gradient relative to the atmosphere. Air within the annulus is heated as internal containment temperature rises and heat is transferred through the steel containment shell. The resulting air density gradient between the annulus and the environment causes the heated air to rise, producing a natural convection flow through inlets in the shield building, past the steel shell, and out an exit chimney. Several options for enhancing passive heat removal of large containment ...

International Nuclear Information System (INIS)

The nucleon decay of subbarrier single-particle states with large angular momentum and parity opposite to that of the shell in soft spherical nuclei is considered. It is shown that the reduced probabilities of the nucleon decay into the ground state (0"+) and into the first excited (2"+) state of the daughter nucleus have qualitatively different energy dependences. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The lepton flavor-violating coherent ( /sup -/, e/sup -/) conversion is investigated. Photonic and nonphotonic contributions arising in various gauge models are considered. The dependence of the conversion rate on the structure of the nucleus is given by the elastic form factors. These are obtained in the context of shell model taking into account finite-size effects or extracted from the electron scattering data whenever possible. The relevant branching ratios are studied throughout the periodic table.

International Nuclear Information System (INIS)

K and L-shell x-ray production cross sections were measured using #alpha#-particle beams of 14.00 to 34.16 MeV. The K-shell measurements ranged from Z = 20 to Z = 50 and included Ca, Sc, Ti, V, Fe, Ni, Cu, Zn, Ga, Br, Rb, Sr, Y, Mo, Ag, In, and Sn while the L-shell measurements ranged from Z = 55 to Z = 92 and included Cs, Ba, Ce, Gd, Tm, Lu, Au, Pb, Th, and U. Thin metallic foils were used for the measurements and corrections for self-attenuation were negligible. A liquid nitrogen cooled Si(Li) detector and associated pulsed optical electronics were used in detecting x-rays. Absolute cross sections with an uncertainty of +-10 percent are presented for the elements measured. Also smoothed cross sections are presented which were generated by a three term polynomial fit of the experimental data points. By use of available fluorescence yields the K-shell data were converted to ionization cross sections and ...

UK PubMed Central (United Kingdom)

In this work, porous TiO₂ hollow spheres with an average diameter of 100 nm and shell thickness of 20 nm were synthesized by a facile hydrothermal method with NH₄HCO₃...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

This document provides data on aerosol concentrations in tank head spaces, total mass of aerosols in the tank head space and mass of aerosols sent to the exhauster during Rotary Mode Core Sampling from November 1994 through June 1999. A decontamination factor for the RMCS exhauster filter housing is calculated based on operation data.

Science.gov (United States)

The excitation of compound-nucleus resonances in Y/sup 89/ and Zr/sup 90/ by proton bombardment at 4 to 5.5 Mev of Sr/sup 88/ and Y/sup 89/, respectively, is reported. Shell-model corfigurations were used to interpret the results. (R.E.U.)

International Nuclear Information System (INIS)

This document generates a supernatant hydroxide ion depletion model based on mechanistic principles. The carbon dioxide absorption mechanistic model is developed in this report. The report also benchmarks the model against historical tank supernatant hydroxide data and vapor space carbon dioxide data. A comparison of the newly generated mechanistic model with previously applied empirical hydroxide depletion equations is also performed.

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A cryocondensation pump was designed for the baffle chamber of General Atomics DIII-D tokamak and will be installed in the fall of 1992. The purpose of the pump is to study plasma density control by pumping the divertor. The pump is toroidally continuous, approximately 10 m long and located in the lower outer corner of the vacuum chamber of the machine. It consists of a 1 m{sup 2} liquid helium-cooled surface surrounded by a liquid nitrogen-cooled shield to limit the heat load on the helium-cooled surface. The liquid nitrogen-cooled surface is surrounded by a radiation/particle shield to prevent energetic particles from impacting and releasing condensed water molecules. A thermal enhancement coating was applied to the nitrogen shell to lower the maximum temperature of the shell. The coating is non-continuous to keep the toroidal electrical resistance high. The whole pump is supported off the water-cooled vacuum vessel wall. Supports for the ...

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

British Library Electronic Table of Contents (United Kingdom)

The T cell receptor is a fundamental mediator of the adaptive immune responses, since TR ab on T cells recognize foreign structures (peptides derived from processed antigens) bound to the major histocompatibility complex (MHC) on APC cells. In the present study, we report the cloning of six TRB chains cDNA sequences from gilthead sea bream (Sparus aurata), a fish of high economical impact in South Mediterranean aquaculture. The V-BETA domains have the canonical features of known teleost and mammalian TR V-BETA domains and have been divided in four different subgroups. A multiple alignment of the six sea bream TRB chains with other known TRB sequences was assembled and showed the conservation of the four cysteine residues involved in disulphide bonds and of some amino acids with an importan...

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Site occupancies in three C15-structured AB{sub 2}(X) Laves phases have been determined by Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr{sub 2}(V), the results were consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V is not expected from atom size effects alone. In NbCr{sub 2}(Ti), the results were consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV{sub 2}(Nb), the results were consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials will be discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.

British Library Electronic Table of Contents (United Kingdom)

Olfactory memory dysfunctions were investigated in the triple-transgenic murine model of Alzheimer's disease (3x Tg-AD). In the social transmission of food preference test, 3x Tg-AD mice presented severe deficits in odor-based memory, without gross changes in general odor-ability. Ab and tau immunoreactivity was not observed in the primary processing regions for odor, the olfactory bulbs (OBs), whereas marked immunostaining was present in the piriform, entorhinal, and orbitofrontal cortex, as well as in the hippocampus. Our results suggest that the impairment in olfactory-based information processing might arise from degenerative mechanisms mostly affecting higher cortical regions and limbic areas, such as the hippocampus.

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The magnetic properties of diluted spinels Zn{sub 1-x}M{sub x}Fe{sub 2}O{sub 4} (M = Mg, Ni) systems have been studied by mean field theory, probability law and high-temperature series expansions method in the range 0 {<=} x {<=} 1. The exchange interactions are calculated by the first and second theory, respectively. The magnetic phase diagrams of Zn{sub 1-x}M{sub x}Fe{sub 2}O{sub 4} (M = Mg, Ni) are calculated by the high-temperature series expansions, combined with the Pade approximants method. The critical exponent associated with the magnetic susceptibility ({gamma}) is deduced.

British Library Electronic Table of Contents (United Kingdom)

Background: Thyroid-stimulating autoantibodies (TSAb) bind to the thyrotropin receptor (TSHR) extracellular domain, or ectodomain (ECD), comprising a leucine-rich repeat domain (LRD) linked by a hinge region to the transmembrane domain (TMD). The LRD (residues 22???260; signal peptide 1???21) contains two disulfide-bonded loops at its N-terminus. In the crystal structure of the isolated LRD complexed with human TSAb monoclonal antibody (mAb) M22, N-terminal disulfide loop 1 (residues 22???30) could not be determined because of crystal disorder. Nevertheless, present crystal structure data are interpreted to exclude a role for the LRD N-terminal disulfide loops in the TSAb epitope(s), contradicting prior functional evidence of a role for these loops in TSAb function. Materials and Methods: ...

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

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In the present thesis, the shell structure in exotic nuclei has been investigated. The focus of the work was on finding new experimental data in neutron-rich Cr and proton-rich Ca isotopes. The investigation of light Ca isotopes concentrated on the nucleus {sup 36}Ca which was produced in a knockout reaction from a radioactive {sup 37}Ca beam. For {sup 36}Ca, the excitation energy of the first 2{sup +} state has been measured for the first time. Furthermore, momentum distributions were analyzed using a Monte-Carlo simulation of the knockout reaction. This analysis yielded the contributions of neutrons from individual orbitals to the total knockout cross section. In principle, these may be used to calculate spectroscopic factors, but such a calculation is hampered by difficulties of present knockout-reaction models in predicting precise single-particle cross sections. The measured branching ratio to the ground and excited states, on the other hand, is close to the ...

CERN Document Server

We present H-alpha and [O III] (5007 Angstroms) images of the nebula powered by the jet of the black hole candidate and microquasar Cygnus X-1, observed with the 2.5m Isaac Newton Telescope (INT). The ring-like structure is luminous in [O III] and there exists a thin outer shell with a high [O III] / H-alpha flux ratio. This outer shell probably originates in the collisionally excited atoms close to the front of the bow shock. Its presence indicates that the gas is shock excited as opposed to photoionised, supporting the jet-powered scenario. The shock velocity was previously constrained at 20 = 100 km/s (1 sigma confidence) based on a comparison of the observed [O III] / H-alpha ratio in the bow shock with a number of radiative shock models. From this we further constrain the time-averaged power of the jet: P_Jet = (4 - 14)*10^36 erg/s. The H-alpha flux behind the shock front is typically 4*10^-15 erg/s/cm^2/arcsec^2, and we estimate an upper ...

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To understand the effect of heat treatment and mechanical polishing of a Nitinol wire on the chemical composition and physical morphology of the wire surface. Stents with a diameter of 1.0 cm, length of 8-10 cm, and composed of a Nitinol wire, were heat-treated at 500 .deg. C for 30 minutes, and mechanically polished with walnut shell granules. The wire surface morphology was studied with both an optical and a scanning electron microscope (SEM). In addition, an elemental analysis was performed by Energy Dispersive X-ray spectroscopy (EDX). Long microcracks along the wire direction and short microcracks across the wire were observed by SEM from the raw Nitinol wire. Upon heat treatment, the color of the wire turned blue, and Na, K, Cl, Si, Al atoms were seen from the EDX of the heat treated wire, which were absent in the original wire. The microcracks disappeared with the mechanical polishing, and the Na, K, Cl, Si, Al atoms all disappeared after the mechanical ...

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Thick targets of several heavy lanthanide (Ho-Lu) compounds were bombarded by protons and /sup 3/He ions of 3 MeV/amu, and M/sub ..cap alpha../ and M/sub ..beta../ X-rays were measured with a crystal spectrometer. Ionization probabilities of the N-shell for zero impact parameter were obtained from the X-ray intensity ratio for proton and /sup 3/He ion impacts. A shell dependence of the ionization probability was found in a scaling plot. X-ray spectra of lanthanide compounds were compared and no chemical effect was observed. This result is considered to be due to the fact that the main component of M/sub ..cap alpha../ and M/sub ..beta../ lines is for radiative transition after the refilling of the 4f orbit (3d/sup -1/4f/sup n+1/ -> 4f/sup n/) where n denotes the number of 4f electrons of the target atom before ionization.

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A spectroscopic study is performed for high spin states of {sup 55}Fe, {sup 55}Co and {sup 57}Ni. To populate the investigated residues with a relevant cross section, the fusion evaporation reactions of {sup 30}Si({sup 28}Si, 2pn){sup 55}Fe, {sup 30}Si({sup 28}Si, 2pn){sup 55}Co and {sup 4}He({sup 54}Fe, n){sup 57}Ni were chosen. To identify the new {gamma} transitions and to build the energy level schemes, {gamma}-{gamma} coincidence techniques together with excitation functions were employed. Angular distributions and {gamma}-{gamma} angular correlations allowed us to assign the spin values of the nuclear states. The previous level scheme of {sup 55}Fe is extended into the region between 6.5-11 MeV of excitation energy, up to spin 27/2, while the yrast decay pathos of {sup 57}Ni and {sup 55}Co are reported here for the first time. Experimental data are fairly well reproduced by Glaudemans' shell model calculations. (orig.).

International Nuclear Information System (INIS)

It is very well known that the CANDU reactor has positive Coolant Void Reactivity (CVR), which is most important criticisms about CANDU. The most recent innovations based on using a thin absorbent Hafnium shell in the central bundle element were successfully been applied to the Advanced CANDU Reactor (ACR) project. The paper's objective is to analyze elementary lattice cell effects in applying such methods to reduce the CVR. Three basic fuel designs in their corresponding geometries were chosen to be compared: the ACR-1000TM, the RU-43 (developed in INR Pitesti) and the standard CANDU fuel. The bundle geometry influence on void effect was also evaluated. The WIMS calculations proved the Hafnium absorber suitability (in the latest 'shell design') to achieve the negative CVR target with great accuracy for the ACR-1000 fuel bundle design than for the other two projects. (authors)

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In this report, we have examined some of the fundamental mechanisms expected to be at work during mobilization of the waste within the double-shell tanks at Hanford. The motivation stems from the idea that in order to properly apply correlations derived from scaled tests, one would have to ensure that appropriate scaling laws are utilized. Further, in the process of delineating the controlling mechanisms during mobilization, the currently used computational codes are being validated and strengthened based on these findings. Experiments were performed at 1/50-scale, different from what had been performed in the previous fiscal years (i.e., 1/12- and 1/25-scale). It was anticipated that if the current empirical correlations are to work, they should be scale invariant. The current results showed that linear scaling between the 1/25-scale and 1/50-scale correlations do not work well. Several mechanisms were examined in the scaled tests which might have contributed to ...

International Nuclear Information System (INIS)

The authors have designed and constructed four types of electron-beam diodes for the new 4-MV RLA injector: a non-immersed foilless diode, a magnetically immersed foilless diode, a foil diode and an ion-focused foilless diode, They are tailored to fit the new injector cavity. The design goals were to produce high quality 10-kA to 20-kA electron beams with a #beta# perpendicular smaller than 0.2 and a beam radius of the order of 2 cm. These beams will be matched to the RLA IFR channel so #beta# perpendicular must be equal to or smaller than the square root of the ratio of the beam current versus Alfven current for f_e = 1. A reentrant anode geometry was selected for the injector cavity design, because it offers substantial savings on the required amount of feromagnetic cores. The inner radius of the outside shell, now only 30 cm, would have been twice as large (60 cm) if a coaxial non-reentrant geometry had been adopted. The shape of the anode and cathode electrodes ...

International Nuclear Information System (INIS)

Radionuclides exhibiting in decaying a strong interaction between nucleus and electron shell (especially electron capture and internal conversion) are, in principle, sensitive to their chemical surroundings. Consequently, they can be used to yield chemical information after an appropriate labelling procedure. The information can be extracted from the decay rate variation as well as from their X-ray emission as a response to an inner-shell vacancy creation during nuclear deexcitation. As an example of the former method the relationship between the decay rate of /sup 99m/Tc and the chemical structures of pertechnetate and bis(meso-dimercapto-succinate)oxotechnetate(V) is considered. Lower expectations with respect to measuring techniques are associated with the observation of X-ray emission. For a number of elements (especially 3d transition elements) the K/sub #alpha#//K/sub #betta#/ X-ray intensity ratio was found to be an indicator of the ...

International Nuclear Information System (INIS)

A G-matrix, derived from a meson-exchange potential in nuclear matter, is applied to finite, semi-magic nuclei. For the open shell the broken-pair model, which can accommodate many single-particle levels, is used. The excitations of the closed shell are treated as particle-hole states. Energy spectra and electromagnetic transition densities are calculated for "8"8Sr and "5"8Ni. The energies of the non-collective states are well described. Pairing correlations in the ground state have almost the correct strength in a multishell model space. To improve the energies of the collective 2"+ and 3"- states the inclusion of core-polarisation effects in the force is required. Transition charge densities for collective states become strongly surface-peaked by core-polarisation effects, as is observed in experiments. The effects of pairing correlations and core polarisation on the magnetic form factor of the 3.486 MeV 1"+ state in "8"8Sr are found to be ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

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

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The objective of this research was to determine improved thermal, epithermal, and fast fluxes and several responses at mechanical test surveillance location keys 2, 4, 5, and 7 of the pressure vessel of the Oak Ridge National Laboratory High Flux Isotope Reactor (HFIR) for the beginning of the fuel cycle. The purpose of the research was to provide essential flux data in support of radiation embrittlement studies of the pressure vessel shell and beam tubes at some of the important locations.

International Nuclear Information System (INIS)

The neutron-rich Fe isotopes from A=61 to 66 were studied through multinucleon transfer reactions by bombarding a "2"3"8U target with a 400 MeV "6"4Ni beam. Unambiguous identification of prompt #gamma# rays belonging to each nucleus was achieved using coincidence relationships with the ions detected in a high-acceptance magnetic spectrometer. The new data extend our knowledge of the level structure of Fe isotopes, which is discussed in terms of the systematics of the region and compared with large-scale shell-model calculations.

International Nuclear Information System (INIS)

During the last few years radio and X-ray astronomers have produced high-resolution imagery of the remnant of Cas A. Since the most recent published optical photographs of Cas A date back to 1975 it seemed worthwhile to present new optical results based on plates obtained with the 5-m Hale telescope in 1976, 1977, and 1980. The major changes that have taken place in Cas A during the last decade are: (1) A broken shell of fast-moving knots has formed along the southern and SW rim of the remnant and (2) A number of blue (oxygen-rich) filaments have developed to the north of the centre of Cas A. (Auth.).

International Nuclear Information System (INIS)

The mass and energy distributions for low-energy p- and alpha-particle induced fission of "1"8"7","1"8"8Ir and "1"9"5Au and "3He-induced fission of sufficiently heated "1"8"8Ir and "1"9"4Au have been measured with use of fast spectrometer of complementary fragments. From Au to Ir, the shape of the mass distributions undergoes substantial changes related to specific dependence of the saddle shell corrections on A and Z fissioning nuclei. The results are compared with theoretical predictions.

CERN Document Server

Preliminary experiments have been performed to investigate the effects of radiative cooling on plasma jets. Thin (3 um - 5 um) conical shells were irradiated with an intense laser, driving jets with velocities > 100 km/s. Through use of different target materials - aluminium, copper and gold - the degree of radiative losses was altered, and their importance for jet collimation investigated. A number of temporally resoved optical diagnostics was used, providing information about the jet evolution. Gold jets were seen to be narrower than those from copper targets, while aluminium targets produced the least collimated flows.

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Neutron deficient nuclei with mass numbers A {approx} 90 and 40 {<=} Z {<=} 44 have been studied making use of the Osiris and Nordball spectrometers. The high spin states of these nuclei and their electromagnetic decay properties are compared to shell model calculations based on the core {sup 88}Sr and using different parametrizations of the residual interaction. The dependence of the mean square deviations of experimental and theoretical level energies, branching ratios, and transition probabilities on the neutron numbers N = 46-50 and the validity of seniority as a good quantum number are discussed. (orig.).

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Dynamic response of pipelines buried in a back-filled rectangular trench in a semi-infinite medium has been investigated. The pipelines are modeled as long cylindrical shells of small thickness. By using the boundary integral representation and finite element method, we have studied the three-dimensional response to account for either pane P or SV wave incident at an arbitrary angle to the pipe-axis. In this paper numerical results are presented for the normal displacements, displacements along pipe-axis, and the hoop stresses in the pipe wall. It is shown that the response depends critically on the back-filled material as well as on the directions of propagation of the incident waves.

International Nuclear Information System (INIS)

"9Be-induced inelastic scattering of "6"2","6"4","6"6Fe and "6"0","6"2","6"4Cr was performed at intermediate beam energies. Excited states in "6"4Cr were measured for the first time. Energies and population patterns of excited states in these neutron-rich Fe and Cr nuclei are compared and interpreted in the framework of large-scale shell-model calculations in different model spaces. Evidence for increased collectivity and for distinct structural changes between the neighboring Fe and Cr isotopic chains near N=40 is presented.

International Nuclear Information System (INIS)

Chemical effects of L X-ray intensity ratios in niobium and molybdenum compounds were studied by electron and proton bombardments. L_#gamma#_1 X-rays which involve transition of 4d electrons of the valence shell were found to be sensitive to the chemical environment. The L_#gamma#_1/L_#beta#_1 X-ray intensity ratio increased with an increase of the 4d electron occupation of niobium or molybdenum in niobium or molybdenum compounds, showing that the chemical effects can be ascribed to the 4d electron behavior of the metallic atom in its compounds. (orig.).