Science.gov (United States)

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

Czech Academy of Sciences Repository

Full Text Available

Energy Technology Data Exchange (ETDEWEB)

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

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.

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

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.

Energy Technology Data Exchange (ETDEWEB)

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.

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 ...

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. The present rates are considerably higher than the radiative recombination rates ...

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.

Energy Technology Data Exchange (ETDEWEB)

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)

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The IR double-resonance techniques IR/R2PI (infrared/resonant 2-photon ionization), IR/PIRI (infrared-photo-induced Rydberg ionization) and IR-photodissociation spectroscopy are valuable tools to investigate structure, vibrations, and dynamical processes of neutral and ionic hydrogen-bonded clusters containing aromatic molecules. In this paper we report on the application of the IR double-resonance techniques to determine the NH and OH stretching vibrations of 4-aminophenol and 4-aminophenol(H{sub 2}O){sub 1}, both in the neutral (S{sub 0}) and ionic (D{sub 0}) ground state. All vibrational frequencies obtained for 4-aminophenol and the cluster are compared with the values obtained from ab initio and DFT calculations. In the S{sub 0} state, a trans-linear arrangement of 4-aminophenol(H{sub 2}O){sub 1} is obtained containing an O-H. O hydrogen bond. In the D{sub 0} state an overlay of two spectra can be observed resulting from the trans-linear ...

International Nuclear Information System (INIS)

The atomic structures of calcium sialons Ca_xSi_1_2_-_mAl_mN_1_6 (m = 0.5, 1, 2, 4) with the #alpha#- or #beta#-Si_3N_4-type structure were calculated, using the ab initio DFT approach, including relaxations of both lattice parameters and positions of the atoms. For all m values the #alpha#-Si_3N_4-type structure has a lower energy than the #beta#-type. For m = 1, 2 and 4 the #alpha#-type structure is also stable against decomposition into the metal nitrides, in agreement with experimental data. For m = 0.5 stability becomes uncertain. Al ions prefer positions close to Ca. Rather strong structural relaxations occur around the Ca ion.

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 ...

CERN Document Server

Without using any moduli, sheaves, stacks, nor any analytic, nor category-type arguments, we exhibit an analogue to Geometric Langlands Theory in an entirely model-independent, non-perturbative,purely smooth topological context in Artin Presentation Theory. A basic initial feature is that AP Theory, as a whole, is already, ab initio, a universal canonical 2D sigma-model, targeting smooth, compact, simply-connected 4-manifolds with a connected boundary, and its topological Planckian quantum starting point, as well as its cone-like, infinitely-generated at each stage, graded group of homology-preserving, but topology-changing transitions/interactions, exhibit the most general qualitative S-duality. We first point out the numerous mathematically rigorous, model-free, (i.e., intrinsic), topological AP analogues with the heuristic Kapustin-Witten version of Geometric Langlands theory, as well as the crucial differences between the two theories. The ...

Energy Technology Data Exchange (ETDEWEB)

Increased nitrogen levels have been correlated with decreased ductility and elevated ductile-to-brittle transition temperature in pressure vessel steels [1]. However, the exact role played by nitrogen in the embrittlement of steels remains unclear. Miller and Burke have reported atom probe ion microscopy findings from neutron-irradiated low-alloy pressure vessel steel showing the presence of a 1 to 2 ruonolayer thick film of Mo, N, and C at prior austenitic grain boundaries (GB's) [2], suggesting a role for nitrogen as an intergranular embrittler. It is of interest for the development of mitigation strategies whether nitrogen must combine with other impurities to form nitride precipitates in order to exert an embrittling effect. Briant et al [1] have associated the embrittling effect of N in steels exclusively with intergranular nitride formation. This association suggests that high nitrogen levels may be acceptable if nitride precipitation at grain boundaries is suppressed. ...

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

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 ...

Energy Technology Data Exchange (ETDEWEB)

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

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)

This paper discusses how to overcome failures and pitfalls in software configuration management. (LSP)

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 ...

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

This document contains the complete printout of the MICON A/S system configuration used in the Plutonium Finishing Plant. The document is divided into several volumes. Volume 1 covers the workstation display and configuration. All other volumes contain the controller configurations, or programs.

Science.gov (United States)

Dec 9, 2008 ... This page describes the procedures to configure certain browsers to automatically start Java Web Start applications...

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)

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

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.

Energy Technology Data Exchange (ETDEWEB)

Past airfoil configurations have been used to improve aerodynamic performance and engine efficiencies. The present airfoil configuration further increases component life and reduces maintenance by reducing internal stress within the airfoil itself. The airfoil includes a chord and a span. Each of the chord and the span has a bow being summed to form a generally "C" configuration of the airfoil. The generally "C" configuration includes a compound bow in which internal stresses resulting from a thermal temperature gradient are reduced. The structural configuration reduces internal stresses resulting from thermal expansion.

International Nuclear Information System (INIS)

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

UK PubMed Central (United Kingdom)

Peptide toxins with high affinity, divergent pharmacological functions, and isoform-specific selectivity are powerful tools for investigating the structure-function relationships of voltage-gated...Full Text Available

KoreaScience (Korea)

Full Text Available

Science.gov (United States)

... proposition int. 6 Page 8. As another example, consider the puzzle "Missionaries and Cannibals". We call configuration ...

Energy Technology Data Exchange (ETDEWEB)

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}.

Energy Technology Data Exchange (ETDEWEB)

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 ...

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

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

Energy Technology Data Exchange (ETDEWEB)

A low pressure nuclear thermal rocket (LPNTR) is configured to meet the requirements of a nuclear stage for manned Mars exploration. Safety, reliability and performance are given equal consideration in selecting the stage configuration. Preliminary trade studies are conducted to size the engine thrust and determine the thrust chamber pressure. A weight breakdown and mechanical configuration for the selected LPNTR concept are defined. A seven engine stage configuration is selected which gives a two engine out capability and eliminates the need for engine gimbaling. The stage can be ground assembled and launched as a unit including tankage for trans Earth injection and Earth orbital capture. The tankage is configured to eliminate the need for an inert shield. The small engine will be cheaper to develop than a single engine providing full thrust, and will be compatible with stages for ...

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.).

International Nuclear Information System (INIS)

Recent multi-configuration Hartree-Fock (MCHF) calculations of atomic hyperfine structures are reviewed. In particular, spin-polarization and relativistic effects are considered. Using a systematic active space MCHF approach, combined with large multi-reference configuration interaction (MR-CI) calculations, it is shown that hyperfine structures in many cases can be calculated very accurately. For few-electron systems, like lithium and beryllium, the remaining discrepancies between theory and experiments largely come from neglected relativistic effects, showing the necessity of fully relativistic calculations even for these systems. The physical effects of relativity on the hyperfine structure are discussed and fully relativistic multi-configuration Dirac-Fock (MCDF) calculations using the systematic active space approach are performed for lithium-like fluorine. (orig.).

Science.gov (United States)

... For communication systems that employ spatial audio technology to separate intercom and/or radio channels, configurations of the spatial ...

International Nuclear Information System (INIS)

Field reversed configuration (FRC) is a prospective high ? magnetic system for high efficiency D- 3He fusion reactor. Self-consistent FRC plasma profiles and static electric field for reactor calculations are discussed in framework of the model including flow equilibrium and collisionless transport equations. The extrapolations to reactor regimes of plasma confinement scaling laws are considered.

Energy Technology Data Exchange (ETDEWEB)

A numerical calculation procedure applicable to cavity-type receiver configurations and flow conditions was developed. Flow visualization experiments were performed, and experimental measurements of quantities valuable for the development of the numerical calculation procedure were made. The investigation is focussed on a configuration which is strongly two-dimensional in the mean flow structure (but turbulent in a truly three-dimensional sense). (LEW)

Science.gov (United States)

Kbeta-to-Kalpha X-ray intensity ratios of Ti and Ni have been measured in pure metals and in alloys of Ti(x)Ni(1-x) (x=0.7, 0.6, 0.5, 0.4 and 0.3) following excitation by 22.69 keV X-rays from a 10 mCi (109)Cd radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured Kbeta-to-Kalpha X-ray intensity ratios with the results of multiconfiguration Dirac-Fock calculation for various valence-electron configurations. Valence-electron configurations of 3d-transition metals in alloys indicate significant differences with respect to the pure metals. Our analysis indicates that these differences arise from delocalization and/or charge transfer phenomena in alloys. Namely, the observed change of the valence-electron configurations of metals in alloys can be explained with the transfer of 3d electrons from one element to the other element and/or the ...

International Nuclear Information System (INIS)

The level structure and configurations of "2"1"6At have been studied by observing the alpha decay of "2"2"0Fr, which is in secular equilibrium with "2"2"4Ac. Six of the 16 observed states are tentatively assigned to the configuration #pi#(h_9_/_2)"3#upsilon#(g_9_/_2)"5, and four to the mixed configuration #pi#(h_9_/_2)"3#upsilon#(g_9_/_2)"4(i_1_1_/_2)+#pi#(h_9_/_2)"2(f _7_/_2)#upsilon#(g_9_/_2)"5. These two configurations in "2"1"6At are compared with the corresponding configurations in "2"1"2Bi and "2"1"0Bi. The shape transitions are traced from the quadrupole-octupole deformed "2"2"4Ac through "2"2"0Fr and "2"1"6At, to "2"1"2Bi, described by the spherical shell model, using the alpha decay sequence beginning with "2"2"8Pa. copyright 1996 The American Physical Society.

Energy Technology Data Exchange (ETDEWEB)

Embedded systems have become integral parts of a diverse range of systems from automobiles to critical infrastructure applications such as gas and electric power distribution. Unfortunately, research on computer security in general and intrusion detection in particular, has not kept pace. Furthermore, embedded systems, by their very nature, are application specific and therefore frameworks for developing application-specific intrusion detection systems for distributed embedded systems must be researched, designed, and implemented. In this paper, we present a configurable middleware-based intrusion detection framework. In particular, this paper presents a system model and a concrete implementation of a highly configurable intrusion detection framework that is integrated into MicroQoSCORBA, a highly configurable middleware framework developed for embedded systems. By exploiting the application-specific logic available to a ...

Science.gov (United States)

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

CERN Document Server

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

Science.gov (United States)

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

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.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The study discussed relates to the design and development of a process consisting of combining a reversible geothermal heat pump with thermal solar collectors for building heating and cooling and the production of domestic hot water. The proposed process, called GEOSOL, has been installed in a 180 m{sup 2} private residence in 2004. This installation is the subject of long-term experimental follow-up to analyse the energy-related behavior of the installation at all times of the year. In addition, different configurations of this combined system (geothermal heat pump and thermal solar collectors) have been defined and will be simulated numerically using TRNSYS software. A comparative analysis of these different alternative versions will be conducted to determine the best configuration(s) of the GEOSOL process in terms of energy, economical and environmental performances. (author)

Science.gov (United States)

The properties and kinetics of x-ray stars in globular clusters are described. Locations, configurations, star evolution, massive close binary systems, various mechanisms, and the x-ray burster properties are included. (JFP)

UK PubMed Central (United Kingdom)

Many healthcare organizations utilize network "firewalls" to protect their networks from being accessed by unauthorized external entities. These same firewalls are also often configured to deny access...Full Text Available

International Nuclear Information System (INIS)

There are 173 three quasiparticle rotational bands, out of which 38 bands display signature splitting and sometimes a signature inversion also. The observed signature splitting is basically due to the higher order Coriolis coupling and calculation based on particle rotor model (PRM) are in progress

Energy Technology Data Exchange (ETDEWEB)

A number of technical requirements and performance criteria can drive stellarator costs, e.g., tight tolerances, accurate coil positioning, low aspect ratio (compactness), choice of assembly strategy, metrology, and complexity of the stellarator coil geometry. With the completion of a seven-year design and construction effort of the National Compact Stellarator Experiment (NCSX) it is useful to interject the NCSX experience along with the collective experiences of the NCSX stellarator community to improving the stellarator configuration. Can improvements in maintenance be achieved by altering the stellarator magnet configuration with changes in the coil shape or with the combination of trim coils? Can a mechanical configuration be identified that incorporates a partial set of shaped fixed stellarator coils along with some removable coil set to enhance the overall machine maintenance? Are there other approaches that will ...

UK PubMed Central (United Kingdom)

Combined QM(PM3)/MM molecular dynamics simulations together with QM(DFT)/MM optimizations for key configurations have been performed to elucidate the enzymatic catalysis mechanism on the detoxification...Full Text Available

Science.gov (United States)

... 1 8.53 1.5448 2 12.45 2.1944 3 16.59 2.5224 Sensor Mobility fixed 8.92 1.9312 mobile 12.15 2.3625 Display Configuration conv. 10.92 1.7981 ...

Energy Technology Data Exchange (ETDEWEB)

A design of the modular coil system for CHS-qa has been made for the plasma configuration '2b32' with the aspect ratio 3.2. The magnetic field strength and the major radius are 1.5 T and 1.5 m, respectively. The normal component of magnetic field produced by the modular coils is minimized on the plasma boundary to obtain the optimum coil design. We put engineering constraint on the distance between adjacent modular coils and the radius of coil curvature. The dependence of the residual normal component of the field on these conditions is examined, and the realistic values for them are selected. Additional coils to control various properties of the magnetic field configuration (the rotational transform, the magnetic well depth, etc.) have been designed and a flexibility of the magnetic field configuration is realized. For the case that the rotational transform crosses the low-order rational value resulting ...

Energy Technology Data Exchange (ETDEWEB)

A general model for wakefield-generated instabilities in linear accelerators, originally developed for cumulative beam breakup [1], is applied to the resistive wall instability. The general solution for various bunch charge distributions and application to various accelerator configurations are presented.

Energy Technology Data Exchange (ETDEWEB)

The authors report a novel configuration for a zinc-particle, packed-bed anode in which an open structure of high hydraulic permeability is maintained indefinitely in a cell with closely spaced walls by the formation of particle bridges and associated gaps. The configuration minimizes electrolyte pumping costs, allows rapid refueling and partial recharge, and provides for 100% zinc consumption. This approach benefits zinc/air fuel batteries by allowing nearly continuous operation and fuel recycle without commercial infrastructure; it benefits Zn/[Fe(CN){sub 6}]{sup {minus}3} batteries by eliminating shape-change and polarization problems found with planar anodes.

Science.gov (United States)

We proposed and numerically investigated the influence of spatial symmetry on the terahertz frequency region response of composite planar metamaterials based on deformed split ring resonators. Compared with the original simple structures, the composite metamaterials with different spatial symmetries exhibited exotic electromagnetic properties. The electromagnetic response of a specific configuration with C4 symmetry was identical to the structure with simple lattice. Especially, for configurations with broken symmetry, very sharp Drude-like resonances with high quality factor were observed. The electric field and current distribution associated the resonances were analyzed for deep understanding of the underlying physical properties.

Energy Technology Data Exchange (ETDEWEB)

The digital AVR must have the level of redundancy and control functions that conform to the configuration of the excitation control system and to the importance of a particular generator for the user. The digital AVR is not simply a digital version of the analog AVR, but can realize sophisticated control functions that were difficult to achieve with analog circuits, thus making it possible to enhance the stability of power system by PSS (power system stabilizer). This paper describes the test results of the digital AVRs applied to power plants, their system configuration and functions, as well as the outline of an auto-tuning PSS or AT-PSS planned to be incorporated in the digital AVR in the future.

Energy Technology Data Exchange (ETDEWEB)

An improved method to design suitable compensating schemes for extra high voltage transmission lines is presented. The technique is general and effective and will greatly facilitate the design of the optimal compensation scheme for extra high voltage transmission lines. The technique is illustrated for a typical 500 kV system. The equations developed here for voltage maxima and minima along the transmission line eliminate the need for point-to-point computation of the voltage profile. The controversy existing in the literature over the problem of making a choice between pi and tee configurations has been removed and it is established with a mathematical proof that the tee configuration requires compensating elements of lower ratings.

International Nuclear Information System (INIS)

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

Science.gov (United States)

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

British Library Electronic Table of Contents (United Kingdom)

Tungsten, in the form of tungstate, polymerizes with phosphate, and as extensive polymerization occurs, cellular phosphorylation and dephosphorylation reactions may be disrupted, resulting in negative effects on cellular functions. A series of studies were conducted to evaluate the effect of tungsten on several phosphate-dependent intracellular functions, including energy cycling (ATP), regulation of enzyme activity (cytosolic protein tyrosine kinase [cytPTK] and tyrosine phosphatase), and intracellular secondary messengers (cyclic adenosine monophosphate [cAMP]). Rat noncancerous hepatocyte (Clone-9), rat cancerous hepatocyte (H4IIE), and human cancerous hepatocyte (HepG2) cells were exposed to 1-1000 mg/l tungsten (in the form of sodium tungstate) for 24 h, lysed, and analyzed for the ab...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

In the Joule II project JOU2-CT 94-0428 `Development and Testing of Stand-Alone small-size Solar Photovoltaic-Hydrogen power Systems (SAPHYS)`, different design configurations are compared and discussed. In this paper we present some of the proposed design configurations and discuss their benefits and drawbacks. Simplified expressions for system efficiency for the different configurations are presented. These expressions are based on average efficiencies for the solar cells, the electrolyzer, the batteries, the hydrogen storage and the fuel cells. Mean fractions of energy passing through the energy storages are also assumed. From considerations in the paper one conclusion becomes apparent, i.e. the direct use of the energy should be maximized. Another conclusion is that one of the most important factors in Solar Photovoltaic Hydrogen Power Systems is the solar cell efficiency. This point seems to be lost in typical projects ...

Energy Technology Data Exchange (ETDEWEB)

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. {sup 203}Pb (T{sub 1/2}=52.02 h) has application potential in RII, with a {gamma}-emission that is ideal for single photon emission computerized tomography, whereas {sup 212}Pb (T{sub 1/2}=10 h) is a source of highly cytotoxic {alpha}-particles via its decay to its {sup 212}Bi (T{sub 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]{sup 2+} complex was less labile to metal ion release than Pb[DOTA]{sup 2-} at pH 3.5 and below in isotopic exchange experiments. In addition to increased stability to Pb{sup 2+} ion release at low pH, the bifunctional TCMC ligand was found to have many other ...

International Nuclear Information System (INIS)

Adduct formation between U(TTA)_4 and several neutral donor (S) was investigated by utilizing the changes in the absorption spectra of U(IV) resulting from the addition of neutral donors to a solution of U(TTA)_4. All the donors used in the present work from 1:1 adducts with U(TTA)_4. From the spectral changes, the equilibrium constants #beta#sub(AB) for the adduct formation reaction viz U(TTA)_4 S reversible U(TTA)_4.S were calculated for a few neutral donors. The log #beta#sub(AB) values obtained in benzene medium, are :TOPO (6.23), TBPO (6.13), TPPO (4.72), DBBP(4.04) TBP(3.04), TIOTP(1.27) and MIBK(-0.10) and a value of 3.98 for TOPO in chloroform medium. The adduct formation was found to result in increasing the coordination number of U(IV) from 8 in U(TTA)_4 to 9 in the adducts it forms with the neutral donors. Similar absorption spectral studies with U(DBM)_4 revealed that it forms much weaker adducts than the corresponding ones with ...

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

The covariant quark model is shown to allow a phenomenological description of the neutron electric form factor, G{sub E}{sup n}(Q{sup 2}), in the impulse approximation, provided that the wave function contains minor ({approx}3%) admixtures of the lowest energy sea-quark configurations. While that form factor is not very sensitive to whether the q{sup -} in the qqqqq{sup -} component is in the P-state or in the S-state, the calculated nucleon magnetic form factors are much closer to the empirical values in the case of the former configuration. In the case of the electric form factor of the proton, G{sub E}{sup p}(Q{sup 2}) a zero appears in the impulse approximation close to 10 GeV{sup 2}, when the q{sup -} is in the P-state. That configuration, which may be interpreted as a pion loop ('cloud') fluctuation, also leads to a clearly better description of the nucleon magnetic moments. When the amplitude of the ...

DEFF Research Database (Denmark)

The syntheses of N-alkylated deoxynojirimycin and 1,5-dideoxy-1,5-iminoxylitol derivatives having either a D- or an L-erythritol-3-sulfate functionalized N-substituent are reported. The alkylating agent used was a cyclic sulfate derivative, whereby selective attack of the nitrogen atom at the least hindered primary center afforded the desired ammonium salt. In aqueous solution, these salts were configurationally labile at the ammonium center. Sulfonium and/or selenonium analogues of the ammonium salts were prepared by analogous reactions. The chalcogen salts were obtained as mixtures of diastereomers, separable in some cases, differing only in the stereochemistry at the configurationally stable sulfur or selenium atoms. Proof of configuration and conformation of each compound was obtained by detailed NMR experiments. The compounds are six-membered ring analogues of salacinol, a known sulfonium-salt glucosidase inhibitor. ...

Energy Technology Data Exchange (ETDEWEB)

The extent to which the size of a modular stellarator reactor may be reduced is investigated by means of an analytic model of the reactor. The various means employed include varying the blanket/shield thickness, the power output and the wall loading. An optimum design is found, the major radius of which tends to be insensitive to changes in these quantities, although a decrease in the power output leads to a rather smaller decrease in reactor dimensions, as would be expected. Varying the plasma beta at fixed (iota/2..pi..)/sup 2/epsilon or, alternatively, increasing the rotational transform per field period, may, however, allow configurations with fewer field periods to be accessed which have a substantially smaller major radius than the 'standard case' adopted. The magnetics of various configurations required by the model are checked by field line following and the performance claimed is shown to be relatively easily ...

CERN Document Server

Using the recently developed effective field theory of inflation, we argue that the size and the shape of the non-Gaussianities generated by single-field inflation are generically well described by two parameters: f_NL^equil, which characterizes the size of the signal that is peaked on equilateral configurations, and f_NL^orthog, which instead characterizes the size of the signal which is peaked both on equilateral configurations and flat-triangle configurations (with opposite signs). The shape of non-Gaussianities associated with f_NL^orthog is orthogonal to the one associated to f_NL^equil, and former analysis have been mostly blind to it. We perform the optimal analysis of the WMAP 5-year data for both of these parameters. We find no evidence of non-Gaussianity, and we have the following constraints: -125 0.011 at 95% CL. or alternatively to be so small that the higher-derivative kinetic term dominate at horizon ...

Energy Technology Data Exchange (ETDEWEB)

Sandia National Laboratories contracted with Rockwell International Science Center to perform a series of narrowband, pseudo-random cyclic fatigue tests on sections of 6063-T651 aluminum, Darrius-type, vertical axis wind turbine (VAWT) airfoils. We designed and constructed a load member that was mounted within the frame of a rigid 200-kip servohydraulic, closed-loop test system to hold the VAWT section and permit cantilever bending along the shear centerline of the beam. A computer program was developed to synthesize a narrow band, pseudo-random load history with fixed root mean square (RMS) stress levels at a given bandwidth and central frequency. Six specimens each of two different weld configurations at the flange mounting plate were tested at several RMS stress levels with failure defined as visual observation of a 3-inch-long crack in the VAWT. In order to test at as great a frequency as possible, a 20-kip hydraulic ram with a 10-GPM servovalve was employed ...

Energy Technology Data Exchange (ETDEWEB)

Background: the authors report on the conception and first clinical application of a donut-shaped high-dose configuration for proton therapy (PT). This approach allows one to intensify target volume dose coverage for targets encompassing a critical, dose-limiting structure - like here, the cauda equina -, whilst delivering minimal dose to other healthy structures surrounding the target, thereby reducing the integral dose. Methods and results: intensity-modulated PT methods (IMPT) for spot scanning were applied to create and deliver a donut-shaped high-dose configuration with protons, allowing treating > 75% of the target with at least 95% of the prescribed dose of 72.8 CGE, whilst restricting dose to the cauda equina to 60-65 CGE. Integral dose was lower by a factor of 3.3 as compared to intensity-modulated radiotherapy with photons (IMXT). Conclusion: IMPT and spot scanning technology allow a potentially clinically useful approach which ...

Energy Technology Data Exchange (ETDEWEB)

The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst extrudates. The ...

Energy Technology Data Exchange (ETDEWEB)

The flow distribution through a plate-fin heat exchanger is studied by using a computational fluid dynamics (CFD) code, FLUENT. The flow distribution through any heat exchanger affects its performance. In designing a heat exchanger, it is assumed that the fluid is uniformly distributed through the heat exchanger core. In practice, however, it is impossible to distribute fluid uniformly, because of an improper inlet configuration, imperfect design, and a complex heat transfer process. The CFD simulation of the flow distribution in the header of a conventional plate-fin heat exchanger is presented. It is found that the flow maldistribution is very serious in the y-direction of the header. A modified header is proposed and simulated using CFD. The modified header configuration has a more uniform flow distribution than the conventional header configuration. Hence, the efficiency of the modified heat exchanger is seen to be ...

Science.gov (United States)

The major purpose of the work described in this report was to use diffusion modeling techniques to calculate the impact on ambient air quality of SO2 emissions from the ASARCO copper smelter in Tacoma, Washington for the existing smelter configuration (51-percent constant emissions control) and for 20 alternative smelter configurations with varying degrees of constant emissions control. The accuracy of the modeling techniques was established by the close correspondence obtained between calculated and observed short-term ground-level SO2 concentrations for 20 selected historical cases, when high hourly SO2 concentrations were measured in the area surrounding the smelter, as well as by the close agreement between calculated and observed annual average concentrations for 1972. The results of the model calculations show that the maximum allowable constant SO2 emission rate consistent with maintaining the Washington Department of Ecology (DOE) and ...

Energy Technology Data Exchange (ETDEWEB)

Fugitive dust emissions from stockpiles in the open storage yards of industrial zones and the subsequent atmospheric dust dispersion have brought about many ecological and economical problems. This paper introduces a new approach to reduce pollutant emissions by simply changing pile configuration and without affecting the operational activity on these parks. Flow around piles of different geometries and for various wind conditions was studied using previously validated Computational Fluid Dynamic (CFD) simulations. Different pile height scenarios were investigated corresponding to a constant material volume and a fixed angle of repose under various wind magnitudes. The results obtained were integrated in order to evaluate the rate of dust emissions for the various configurations considered. It was found that, for the range of wind conditions and pile dimensions tested, an optimal geometry exists which corresponds to the lower emissions rate. 13 ...

British Library Electronic Table of Contents (United Kingdom)

A method for range-resolved gas sensing using path-integrated optical systems is presented. The method involves dividing an absorption path into several measurement segments and extracting the gas concentration in each segment from two path-integrated measurements. We implemented the method with tunable lasers (a 1389-nm VCSEL and a 10.9-?m pulsed quantum cascade laser) and a group of retro reflectors (RRs) distributed along absorption paths. Using a rotating mirror with the VCSEL configuration, we could scan a group of seven tape RRs spaced by 10?cm in ??9?ms to extract an H2O concentration profile. Reduced H2O concentrations were recorded in the segments purged with dry air. Hollow corner cube RRs were used in the quantum cascade laser configuration at distances up to 1.1?km from the las...

Energy Technology Data Exchange (ETDEWEB)

The ability of the /sup 252/Cf-source-driven neutron noise analysis method to measure subcriticality has been demonstrated in a variety of experimental configurations of fissile materials. Calculations for an approximately 4-m-dia configuration of light water reactor (LWR) fuel elements indicated the feasibility of measuring the subcriticality of large, loosely coupled arrays of LWR fuel elements by this same method. These analysis suggested application to the initial loading of both pressurized and boiling water reactors, zero-power testing of reactors (such as shutdown margin measurements after initial loading), light water reactor refueling, and safe storage of LWR spent fuel. In the fuel storage application, direct measurement of subcriticality in the actual fuel storage facilities provides the parameter which is directly related to criticality safety.

Energy Technology Data Exchange (ETDEWEB)

During the present project the mechanisms of generation of low frequency noise (LFN) for upwind rotors has been investigated. A 3.6 MW turbine has been simulated with a noise prediction model from NASA in US. Running the model on this turbine a number of important turbine design parameters with influence on the LFN have been identified as well as other parameters not linked to the turbine design. Of important parameters can be mentioned 1) rotor rotational speed, 2) blade/tower clearance, 3) rotor configuration - upwind/downwind, 4) unsteadiness/turbulence in inflow. Further, the directivity characteristics of LFN has been computed as well as reduction in noise as function of distance from the turbine. In general low levels of LFN has been computed for the upwind rotor in standard configuration. (au)

Energy Technology Data Exchange (ETDEWEB)

An availability assessment of the principal systems of the Heber Geothermal Power Plant has been carried out based on the final issue of the process descriptions, process flow diagrams, and the approved for design P and IDs prepared by Fluor Power Services, Inc. (FPS). The principal systems are those which contribute most to plant unavailability. The plant equivalent availability, considering forced and deferred corrective maintenance outages, was computed using a 91 state Markov model to represent the 29 principal system failure configurations and their significant combinations. The failure configurations and associated failure and repair rates were defined from system/subsystem availability assessments that were conducted using the availability assessments based on the EPRI GO methodology and availability block diagram models. The availability and unavailability ranking of the systems and major equipment is presented.

Energy Technology Data Exchange (ETDEWEB)

The Energy Laboratory of the University of Houston has developed a computer simulation program called CREAM (Cavity Radiation Exchange Analysis Model) for application to the solar central receiver system. CREAM contains a geometric configuration factor generator based on Nusselt's method. A formulation of Nusselt's method provides the basis for a FORTRAN subroutine NUSSELT. Numerical results from NUSSELT are compared to analytic values and values from Sparrow's method. Sparrow's method is based on a double contour integral and its reduction to a single integral which is a approximated by Gaussian methods. Nusselt's method is adequate for the intended engineering applications, but Sparrow's method is an order of magnitude more efficient in many situations.

Energy Technology Data Exchange (ETDEWEB)

A focused ion beam (FIB) system produces a final beam spot size down to 0.1 .mu.m or less and an ion beam output current on the order of microamps. The FIB system increases ion source brightness by properly configuring the first (plasma) and second (extraction) electrodes. The first electrode is configured to have a high aperture diameter to electrode thickness aspect ratio. Additional accelerator and focusing electrodes are used to produce the final beam. As few as five electrodes can be used, providing a very compact FIB system with a length down to only 20 mm. Multibeamlet arrangements with a single ion source can be produced to increase throughput. The FIB system can be used for nanolithography and doping applications for fabrication of semiconductor devices with minimum feature sizes of 0.1 .mu.m or less.

International Nuclear Information System (INIS)

Possible mechanisms of the cumulative production of particles in the processes of high momentum transfers to complex systems are discussed. Production of the multi-nucleon systems, the so-called fluctons, during collision of a high-energy particle with a nucleus, is proposed as a most realistic explanation of the cumulative effect. A probability of the flucton production in nucleus and its interaction with the incident particle are investigated. A possible origin of fluctons, considered, in the framework of the quark bag model, as quasistable states with the definite coupling energy and the lifetime, is studied. A probability for the presence of a flucton, as multibaryon configuration in a nucleus is evaluated. The production of multibaryon configurations in a nucleus is demonstrated to show up as a presence of strong multiparticle repulsion at small distances, which cannot be reduced only to two-particle interactions.

British Library Electronic Table of Contents (United Kingdom)

Two transition metal ions (Cu^2^+ and Co^2^+) and two rare earth metal ions (Ce^3^+ and La^3^+) were used as the assisted metal ions, respectively to prepare the transition metal and rare metal assisted Fe bimetallic amidoximated polyacrylonitrile (AO-PAN) fiber complexes. And their coordination configuration and visible light adsorption properties were examined by coordination number determination and UV-vis-DRS. Then the catalytic performance of these complexes was evaluated as the heterogeneous Fenton catalysts in Rhodamine B degradation by changing the nature and dosage of the assisted ions added. The results indicated that the incorporation of the assisted metal ions led to Fe bimetallic AO-PAN complexes with the more unsaturated configurations than Fe monometallic AO-PAN complex due ...

Energy Technology Data Exchange (ETDEWEB)

An important growth in the power of the photovoltaic systems connected to a grid has recently been observed. In spite of the advances in module technology, the problems in the system design increased, especially regarding the surface of the earth they occupy. In this work we propose a complete model for plant simulation with different wiring diagrams and under dynamic shading. Results obtained from simulations showed that the configuration with the lowest performance was that of only one serial-parallel group, whereas the highest efficiency corresponded to a design of groups of modules in parallel connected then in series. In general, a higher efficiency was obtained diminishing the quantity of modules in series and increasing their number in parallel. The simulation model proposed allows exploring different alternatives of wiring modules and finding the most efficient configurations for photovoltaic plants of medium and high power. (author)

British Library Electronic Table of Contents (United Kingdom)

The development of a new configuration of chemical ionization (CI)-based ion source is presented. The ambient air containing the gaseous sample is sniffed into an enclosed ionization chamber which is of sub-ambient pressure, and is subsequently mixed with metastable species in front of the ion inlet of the mass spectrometer. Metastable helium atoms (He*) are used in this study as the primary ionizing agents and are generated from a dielectric barrier discharge (DBD) source. The DBD is powered by an AC high-voltage supply and the configuration of the electrodes is in such a way that the generated plasma is confined within the discharge tube and is not extended into the ionization chamber. The construction of the ion source is simple, and volatile compounds released from the bulky sample can...

Energy Technology Data Exchange (ETDEWEB)

The paper reports the results of the studies performed at the Electric Research Center of ENEL (Italian National Electricity Board) in the field of compacting high voltage transmission lines, from the point of view of dielectric and corona noise constraints. The results of switching impulse withstand voltage tests, performed on typical compact line insulation configurations, are given and optimization criteria of such insulation configurations in relation to switching impulse are outlined. The constraints regarding surface withstand voltage in polluted conditions of the above insulations are analyzed and the possibility of reducing their dimensions by using unconventional insulation materials is considered. Finally, evaluations of corona noise in the case of optimization of the line encumbrance from the point of view of dielectric constraints are given.

Energy Technology Data Exchange (ETDEWEB)

According to the development of power electronic element (GTO, IGBT) nd material for electrical machines (permanent magnet, super conductor), the technology for electrical machines is now a day rapidly developing. here with, a novel electrical machine, based on the new conception of transverse flux configuration leads to a considerable increase in power density and enables simultaneously high efficiency.The transverse flux machine with PM excitation will be applied to gearless direct drives for railway traction system. The designed and measured performance of transverse machine for railway traction system revealed a great potential of system improvements to reduce linear motor mass. (author). 10 refs., 14 figs., 3 tabs.

UK PubMed Central (United Kingdom)

Circularly polarized X-rays produced by a diamond X-ray phase retarder of thickness 0.5 mm in the Laue transmission configuration have been used for recording X-ray magnetic circular dichroism...Full Text Available

International Nuclear Information System (INIS)

Recent progress with the (Al_xGa_1_-_x)_0_._5In_0_._5P alloy system has resulted in laser diodes which operate at room temperature at wavelengths below 640 nm. OMVPE is used to grow the multi-quantum-well devices in a graded-index separate-confinement configuration. Laser threshold currents as low as 75 mA have been achieved.

Energy Technology Data Exchange (ETDEWEB)

The nuclear shapes of transitional Mo isotopes are calculated by means of a model based on the cranking approximation and the Strutinksy method. The recent experimental results of the high-spin spectroscopy and lifetime measurement of [sup 87]Mo are studied in detail and explained by the evolution of the [gamma]-deformation with the quasiparticle configurations. The shape calculations with the modified-harmonic-oscillator potential give a critical neutron number N [>=] 47 for the spherical shape of the Mo isotopes. (orig.)

International Nuclear Information System (INIS)

A detailed analysis of the positive parity levels in odd iridium isotopes is carried out with an extended version of the Hecht and Satchler model. A satisfactory description of "1"8"7"-"1"9"3Ir positive parity states and their electromagnetic properties is obtained by coupling several Nilsson particle configurations to an asymmetric rotor. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The properties of strange neutron stars have been studied with the use of the parameter sets stemming from the effective field theory. The impact of the strength of hyperon interactions on neutron star masses has been analyzed. The inclusion of additional nonlinear meson interaction terms together with the strong hyperon-hyperon interaction leads to the existence of additional stable stellar configurations. (authors)

CERN Document Server

In this Letter the bound states of (2+1) Dirac equation with the cylindrically symmetric $\\delta (r-r_{0})$-potential are discussed. It is surprisingly found that the relation between the radial functions at two sides of $r_{0}$ can be established by an SO(2) transformation. We obtain a transcendental equation for calculating the energy of the bound state from the matching condition in the configuration space. The condition for existence of bound states is determined by the Sturm-Liouville theorem.

British Library Electronic Table of Contents (United Kingdom)

A novel class of pyrrolidinyl-acetyleneic thieno[3,2-d]pyrimidines has been identified which potently inhibit the EGFR and ErbB-2 receptor tyrosine kinases. Synthetic modifications of the pyrrolidine carbamate moiety result in a range of effects on enzyme and cellular potency. In addition, the impact of the absolute stereochemical configuration on cellular potency and oral mouse pharmacokinetics is described.

Science.gov (United States)

A preliminary database has been developed that will allow mineralogy and bulk-rock geochemical information to be managed under configuration control and facilitate electronic querying. The database is currently developed in Microsoft Access as a collection of tables, views, and entry forms. Each field and table has been described in a data dictionary.

Energy Technology Data Exchange (ETDEWEB)

A summary of the cost data reviewed as well as conclusions and recommendations are presented. Cost and programmatic aspects of Rockwell's SPS CR-2 reference configuration were based on the results of several contracts with NASA and independent company-sponsored activities by the Space Operations and Satellite Systems Division of Rockwell International.

Energy Technology Data Exchange (ETDEWEB)

Certification as applied to existing computer codes includes the verification and validation process, placing the code in configuration control, establishing user qualification standards and training requirements. All software intended for use in critical calculations must be certified. This report is intended to fulfill the requirements for the certification of the SHIELD, SHLDED, GEDIT, GENPRT, FIPROD, FPCALC, and PROCES modules of the SHIELD system built February, 1992, by W.S. Parks. These modules are used for burnup, cooling, separate, and edit calculations.

Energy Technology Data Exchange (ETDEWEB)

Effective barrier pillar design is essential for safe and productive underground coal mining. This U.S. Bureau of Mines report presents an overview of available barrier pillar design methodologies that incorporate sound engineering principles while remaining practical for everyday usage. Nomographs and examples are presented to assist in the determination of proper barrier pillar sizing. Additionally, performance evaluation techniques and criteria are included to assist in determining the effectiveness of selected barrier pillar configurations.

British Library Electronic Table of Contents (United Kingdom)

In this study, a novel compliant mechanism, ''partially compliant spatial slider-crank (RSSP)'' is proposed. All possible configurations of compliant RSSP mechanisms are classified and discussed. A method is derived to determine deflection of the multiple-axis flexural hinge for all positions of the crank. A design procedure for partially compliant RSSP mechanisms is introduced. In order to prove the feasibility of the proposed mathematical model, a real model is built and it is shown that results are consistent.

Science.gov (United States)

Channel plasmon polaritons (CPPs) propagating along the bottom of subwavelength grooves cut into a metal surface were recently shown to exhibit strong confinement combined with low propagation loss, a feature that makes this guiding configuration very promising for the realisation of ultra-compact photonic components. Here, the results of our investigations of CPP guiding by V-grooves cut into gold are presented, demonstrating efficient large-angle bending and splitting of radiation as well as waveguide-ring resonators and Bragg grating filters.

Energy Technology Data Exchange (ETDEWEB)

Plasma confinement by permanent magnets has been studied. An analytic formula for the field of a single bar magnet has been obtained. Generalization to various configurations of multidipole fields has also been found. Any two-dimensional field may now be completely described by a simple function of complex variables in closed form. Vector potential has also been obtained by integrating over a prescribed Riemann surface. The confinement of plasma by multidipole fields then becomes obvious through conservation principles.

Energy Technology Data Exchange (ETDEWEB)

The observation by Maday in 1974 that the Schmidt-Duffin solution to the optimal fin profile problem was flawed due to neglect of the slant height factor led to a new solution--actually, a demonstration of the ill-posedness of the question--by Snider. The present article proves mathematically that omission of this factor leads inevitably to underestimation of the heat transfer capability of any fin. Additionally, a perturbation scheme for estimating the correction for this effect is derived for configurations with low generalized Biot numbers, and a revised assessment of the performance of the Schmidt fin is presented.

International Nuclear Information System (INIS)

The MOS-technology allows to make tiny electronic lenses for multibeam electron systems. In the paper results of research and principles of designing of tiny magnetic electron lenses are submitted. Electronic lenses with a nonconventional configuration of tiny magnetic circuit and electronic lenses with coincident electric and magnetic fields in nonconventional tiny performance are considered

Science.gov (United States)

These are some interesting sites that will help you to understand networking and how it can benefit you. These sites contain sound so you may want to wear headphones if you are in a classroom. Learn how the internet began and the basics of the www. Learn why a network is useful. Jans network contains the important concepts of networking, Work through section 7 to learn about different types of connections, transmissions, media, and configurations. Then take the quiz at the end to see how ...

Energy Technology Data Exchange (ETDEWEB)

The Tank Waste Remediation System (TWRS) Information Systems Definition architecture evaluated information Management (IM) processes in several key organizations. The intent of the study is to identify improvements in TWRS IM processes that will enable better support to the TWRS mission, and accommodate changes in TWRS business environment. The ultimate goals of the study are to reduce IM costs, Manage the configuration of TWRS IM elements, and improve IM-related process performance.

CERN Document Server

Assuming the gluon field is well approximated by instanton configurations we derive a light quarks determinant and calculate its contribution to the specific heavy quarks correlators -- namely, the heavy quark propagator and heavy quark-aniquark correlator, receiving the instanton generated light-heavy quarks interaction terms contributions. With these knowledge we calculate the light quark contribution to the interaction between heavy quarks, which might be essential for the properties of a few heavy quarks systems.

Science.gov (United States)

Friction opposes tooth motion whenever sliding mechanics is employed. Understanding what friction is and how to manage it is of paramount importance to the successful practitioner. In this article, the coefficients of friction are summarized between different arch wire-bracket couples as a function of material, geometric, and external parameters. From this vantage point, friction can then be evaluated within the context of other factors that affect sliding-binding and notching. PMID:9573878

Energy Technology Data Exchange (ETDEWEB)

These ten chapters present an overview of floating production, storage and offloading (FPSO) vessels, and examines deep water developments; hydrostatic stability; production, storage and offloading systems; the configuration and structure of flexible risers and umbilicals; the structural and global dynamic analysis of flexible riser and umbilicals; verification of FPSO structural integrity; vessel global loading and rigid body response; environmental loading and vessel response; and mooring systems. (UK)

Energy Technology Data Exchange (ETDEWEB)

This paper presents some results of lightning induced over voltages for a typical high voltage transmission line configuration. The authors developed an elaborated electromagnetic coupling between the lightning channel and characteristics and the resulting induced overvoltage. The lightning current parameters, for local data, in order to determine the occurrence severity for high voltage transmission lines. (author)

British Library Electronic Table of Contents (United Kingdom)

A method for transforming the Euler and Navier-Stokes equations and a complete system of fluid dynamics equations in three dimensions to a closed system on any moving surface is proposed. As a result, for an arbitrary geometric configuration, the dimension of the equations is reduced by one, which makes them convenient for numerical simulation. The general principles of the method are described, and verifying examples are presented.

Energy Technology Data Exchange (ETDEWEB)

The economic benefits of pulverized coal-injected (PCI) blast furnaces have meant that the number of such furnaces in Japan has steadily increased since their introduction in 1981. Aspects of PCI discussed in the article include: PCI system configuration; evaluation of coals for PCI (e.g. dryability; pulverisability and combustibility) and the possibility of a technical ceiling for pulverized coal rate. 4 refs., 11 figs., 2 tabs.

International Nuclear Information System (INIS)

The high-frequency precessional mode of a hot-electron-stabilized magnetic configuration has previously been shown to be stable in a window of core-plasma mass. Under conditions of frequency matching, the resulting stable negative-energy precessional wave can be destabilized by coupling to positive-energy shear-Alfven waves. Coupling is avoided when the hot-electron precession frequency exceeds the core-plasma ion gyrofrequency.

Energy Technology Data Exchange (ETDEWEB)

Since the most efficient way to improve fuel economy in the part-load range is to increase the compression ratio, emphasis is placed on combustion chambers allowing high compression ratios combined with low octane requirements. According to Porsche experience, many demands can be met in the simplest manner by locating the combustion chamber in the piston crown. This configuration offers various advantages over its counterpart installed in the cylinder head. 24 refs.

Energy Technology Data Exchange (ETDEWEB)

We present a calculation of the charmonium spectrum with three flavors of dynamical staggered quarks from gauge configurations that were generated by the MILC collaboration. We use the Fermilab action for the valence charm quarks. Our calculation of the spin-averaged 1P-1S and 2S-1S splittings yields a determination of the strong coupling, with {alpha}{sub {ovr MS}}(M{sub Z}) = 0.119(4).

Energy Technology Data Exchange (ETDEWEB)

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.

Energy Technology Data Exchange (ETDEWEB)

The Albedo Theory was applied in order to develop an one-group algorithm for coupled neutron-gamma shielding calculations. The configuration analyzed consists of multilayered plane systems, where a incident neutron current generates gamma radiation through neutron-gamma reactions. The results obtained by Albedo Method and ANISN code have shown excellent agreement. (author)

Energy Technology Data Exchange (ETDEWEB)

An integrated voltage regulator and power system stabilizer based on one step ahead prediction is presented. The fixed parameter predictive control scheme is shown capable of providing consistently good voltage response and contribution to system damping over a wide range of operating conditions and system configuration. This is in contrast to the case with conventional automatic voltage regulator and power system stabilizer where performance varies widely with the operating situation and can even cause system instability. (author)

International Nuclear Information System (INIS)

Since the 1970s, Danish electricity supply has been dependent on imported coal. This has lead to greater reliability of supply, as could be seen during the Gulf War when Danish electricity prices remained stable in contrast to conditions in other countries. The disadvantage is the air pollution caused by coal combustion. This is regulated, it is stated, by several international laws and agreements, and these are named here. The nature of this form of pollution is explained in relation to actual Danish power plants and their efforts to reduce emissions of sulphur dioxide and nitrogen oxides. Carbon dioxide, which is a greenhouse gas, is also emitted. Danish environmental policy concentrates on these problems. The efforts of the electric power companies to reduce air pollution are detailed, both nationally and internationally, and their positive consequences are described. Desulphurization and denitrification costs are claimed to be 4.6 Danish oere and 1.9 Danish oere per year per kWh ...

CERN Document Server

The influence of extended convective mixing (overshoot) on asymptotic giant branch stellar evolution is investigated in detail. The extended mixing is treated time-dependently, and the efficiency declines exponentially with the geometric distance from the convective boundary. It has been considered at all convective boundaries, including the He-flash convection zone in the intershell region which forms during the thermal pulses. Both the structural and the chemical evolution are affected by the inclusion of overshoot. The main results include a very efficient third dredge-up which leads to the formation of carbon stars of low mass and luminosity. A C13 pocket which may serve as a neutron source for the s-process can form after the third dredge-up has reached into the C12 rich intershell. Overshoot applied to the pulse-driven convective zone during the He-flash leads to a deeper penetration of the bottom of this convective zone into the C/O core below the He-burning shell. This in turn ...

Energy Technology Data Exchange (ETDEWEB)

Vaarst Vestervang (Denmark) comprises 16 villas and 1 communal building. The complex was designed by the inhabitants themselves with the aim of polluting the environment as little as possible. The land area constitutes 69.000 square meters where it is possible to grass animals. The document reports a measuring programme concerning the overall heat consumption as one of the main aims of the inhabitants is to save energy and thus contribute to the protection of the environment. The capacity of the solar collectors predominantly used in the building complex was 235 kWh/m{sup 2}. Supplementary heating is provided by boilers fired with wood. The measuring system is described in detail. Tables show the influence of heat transmission losses, ventilation, airing out of rooms, the angle of the sun`s rays within the buildings and heating needs on energy consumption. Energy consumption data is presented in relation to the forms of space and water heating utilized. Daily measurements were also ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

Inner ring structures are observed in about one quarter of all lenticular or spiral galaxies. Statistics of the relative frequencies of the pure ring (r) and broken ring (rs) varieties in the Second Reference Catalogue (RC2) among the different families (A, AB, B) of lenticular (L) and spiral (S) galaxies at different stages (T) along the revised Hubble sequence are presented; selection effects dependent on classification weight, apparent diameter and axis ratio are discussed. Comparisons of ring diameters D/sub r/ listed in the (First) Reference Catalogue (RC1) with independent measurements of 43 barred systems by Kormendy show good systematic agreement with a standard deviation sigma_1_2(D/sub r/) = 0'.10 and individual relative mean errors sigma(D/sub r/)/ < D/sub r/ > approx. = 5%. Axis ratios are also in good agreement with sigma_1_2(b/a) = 0.06. Comparisons of axis ratios of rings and parent galaxies show systematic trends dependent on stage T; in ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

This richly illustrated toolbook and atlas contains information on all aspects of nmr diagnostic imaging of benign or malignant neoplasms of female and male mammary glands. It offers pinpointed guidance and insight for vocational training and continuing training of radiology assistants, students and medical radiologists. (orig./AJ) [German] Die MRT als hochaufloesendes und schaedigungsfreies Diagnostikum gewinnt gerade in der emotional stark besetzten Mammadiagnostik zunehmend an Bedeutung. Dennoch beherrschen nur wenige Zentren im deutschsprachigen Raum diese Technik, die - eine hohe Reproduzierbarkeit bei fehlender Belastung fuer die Patientin bietet, - invasive Karzinome bereits ab einer Groesse von 5 mm mit hoher Zuverlaessigkeit ausschliessen kann und - gerade bei widerspruechlichen Befunden zwischen klinischer Untersuchung, Roentgenmammographie und perkutaner Biopsie eine wesentliche Entscheidungshilfe bieten kann. Aus einem der fuehrenden Zentren in der ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The Accelerator Transmutation Waste System is under development at the Los Alamos National Laboratory. The goal is to perform an independent verification of the feasibility of actinide and long-lived fission product burning in this system. The authors' work is divided into five tasks: (a) production of an actinide and long-lived fission product cross section library from JEF 2.2; (b) simulation using MCNP and KENO IV Monte Carlo codes, of the Accelerator Transmutation Waste System configurations existing in literature; (c) validation of HETC Monte Carlo code (production of spallation source); (d) validation of the cross sections by comparison of Keff and reaction rate results, calculated with MNCP and KENO IV, with experimental benchmarks and intercomparison between the authors' calculations of a PWR unit cell and the computations carried out with various codes and cross section libraries (NEACRP critically group data); and (e) simulation of the final Los Alamos ...

CERN Document Server

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

International Nuclear Information System (INIS)

A comparative assessment of five different heat transfer configurations for operation in compact heat exchangers is presented. The configurations under consideration are four standaed heat exchanger surfaces - two plain fin, an offset strip and a louvered fin geometry - and one surface with so called vortex generators for heat transfer augmentation. In the case of the standard surfaces, the basic performance characteristics in the form of heat transfer and friction data versus the Reynolds number have been taken from published experimental results. In the case of the vortex generator surface, the performance characteristics have been derived from a numerical prediction of the flow and temperature field in a closely spaced parallel plate channel with vortex generators in the form of delta wings mounted on the channel walls. In comparison to the plain fin surfaces with a rectangular cross section, the vortex generator surface shows best ...

International Nuclear Information System (INIS)

Excitation functions (#alpha#,3n) and (#alpha#,4n) for "2"0"9Bi have been measured up to 60 MeV #alpha#-particle energy. The excitation functions are measured at 15#alpha#-particle energies by a stack foil technique in two steps. Excitation functions for the above two reactions have been reported for the first time in the energy range from 40 to 60 MeV. The measured experimental values are compared with the geometry-dependent hybrid (GDH) model in which the emission of particles prior to the equilibrium decay is taken into account whenever the interaction of projectile with the target nucleus is considered. It is found that the compound nucleus decay mechanism alone is unable to explain the experimental trend of our data. The initial exciton number 4 with different configurations has been tested and it is concluded that the configuration (2n + 2p + 0h) gives the best fit to the experimental data. (author).

Energy Technology Data Exchange (ETDEWEB)

The Natural Gas Vehicle Challenge `92, organized by Argonne National Laboratory and sponsored by the US Department of Energy, the Energy, Mines, and Resources - Canada, the Society of Automotive Engineers, and many others, resulted in 20 varied approaches to the conversion of a gasoline-fueled, spark-ignited, internal combustion engine to dedicated natural gas use. Starting with a GMC Sierra 2500 pickup truck, donated by General Motors, teams of college and university student engineers strived to optimize Chevrolet V-8 engines operating on natural gas for improved emissions, fuel economy, performance, and advanced design features. This paper focuses on the results of the emission event, and compares engine mechanical configurations, engine management systems, catalyst configurations and locations, and approaches to fuel control and the relationship of these parameters to engine-out and tailpipe emissions of regulated exhaust constituents. Nine ...

Energy Technology Data Exchange (ETDEWEB)

The primary objective of the project is to investigate the long-term effects of commercially available tangentially-fired low NO{sub x} combustion technologies on NOx emissions and boiler performance on Unit 2 at Gulf Power Company`s Plant Lansing Smith located near Lynn Haven, Florida. The project will characterize emissions and performance of a tangentially-fired boiler operating in the following configurations: Baseline ``as-found`` configuration: Phase 1; retrofitted low NO{sub x} concentric firing system (LNCFS) Level 2 and simulated low NO{sub x} bulk furnace staging (LNBFS): Phase 2; retrofitted low NO{sub x} concentric firing system (LNCFS) Level 3, Phase 3a and simulated LNCFS Level 1, Phase 3b.

CERN Document Server

The production of X-ray radiation with a high degree of circular polarization constitutes an important goal at XFEL facilities. A simple scheme to obtain circular polarization control with crossed undulators has been proposed so far. In its simplest configuration the crossed undulators consist of pair of short planar undulators in crossed position separated by an electromagnetic phase shifter. An advantage of this configuration is a fast helicity switching. A drawback is that a high degree of circular polarization (over 90%) can only be achieved for lengths of the insertion devices significantly shorter than the gain length, i.e. at output power significantly lower than the saturation power level. The obvious and technically possible extension considered in this paper, is to use a setup with two or more crossed undulators separated by phase shifters. This cascade crossed undulator scheme is distinguished, in performance, by a fast helicity ...

Energy Technology Data Exchange (ETDEWEB)

A multi-faceted research program has been performed to investigate in detail several aspects of free and forced convective cooling of underground electric cable systems. There were two main areas of investigation. The first one, reported in Volume 1, dealt with the fluid dynamic and thermal aspects of various components of the cable system. In particular, friction factors for laminar flow in the cable pipes with various configurations were determined using a finite element technique; the temperature distributions and heat transfer in splices were examined using a combined analytical numerical technique; the pressure drop and heat transfer characteristics of cable pipes in the transitional and turbulent flow regime were determined experimentally in a model study; and full-scale model experimental work was carried out to determine the fluid dynamic and thermal characteristics of entrance and exit chambers for the cooling oil. The second major area of activity, ...

Energy Technology Data Exchange (ETDEWEB)

The intent and purpose of this work was to investigate and demonstrate cooperative behavior among a group of mobile robot machines. The specific goal of this work was to build a small swarm of identical machines and control them in such a way as to show a coordinated movement of the group in a flocking manner, similar to that observed in nature. Control of the swarm`s individual members and its overall configuration is available to the human user via a graphic man-machine interface running on a base station control computer. Any robot may be designated as the nominal leader through the interface tool, which then may be commanded to proceed to a particular geographic destination. The remainder of the flock follows the leader by maintaining their relative positions in formation, as specified by the human controller through the interface. The formation`s configuration can be altered manually through an interactive graphic-based tool. An ...

Science.gov (United States)

Cross sections for excitation induced by electron collision between low-lying 1s{sup 2}2s{sup 2}2p{sup 5} and 1s{sup 2}2s2p{sup 6} states of f-like selenium and from these states to singly excited states with the excited electron occupying the M shell have been calculated by relativistic distorted-wave Born procedures. The GRASP{sup 2} code was used for the atomic structure calculations. The continuum orbitals for the construction of continuum states were computed in the distorted-wave approximation, in which the distorted-wave potential used was the spherically averaged potential of the nucleus plus the potential of the bound electrons of the bound state. The cross sections for excitations were computed first by a 233-level multiconfiguration Dirac-Fock (MCDF) configuration expansion and then by a 279-level MCDF configuration expansion. The latter procedure, which also took into account contributions from all the participating singly excited ...

Energy Technology Data Exchange (ETDEWEB)

The polarization of extracted SATURNE II proton beam as a function of different ion source configurations was studied. Two distinct experiments were necessary for this purpose. In the first one, the left-right instrumental asymmetry of the beam polarimeter was determined using an unpolarized beam. In the second one this correction factor was applied to asymmetries measured with the beam from the polarized ion source in all polarization states. The measurements were carried out at the proton beam kinetic energy 0.80 GeV, where the pp-elastic scattering analyzing power is near its maximum. The results confirmed that the two so-called ``unpolarized states`` of the source were polarized to several percent, whereas the absolute values of the beam polarizations in the so-called ``polarized states`` were equal and opposite. It was observed that the hexapole lens of the ion source produced beam polarization in the absence of any transition. The beam polarization as a ...

International Nuclear Information System (INIS)

The method of superposition of configurations was applied to the triplet sigma, pi, and delta states of HeH"+ which correlate to the separated atom states of principal quantum number less than or equal to 3. The calculations were done for internuclear separations, 0< or =R< or =65.5 a.u., on a mesh adequate for interpolation. Similar calculations on the singlet states have already been reported. The present calculations complete the accurate evaluation of the potential energy curves for this system which are required for low- and intermediate-energy collision studies. In addition to the energy eigenvalues and eigenfunctions, dipole, gradient, and radial coupling matrix elements were calculated for the sigma and pi states. Primarily, this paper presents information on the eigenvalues. The accuracy of the triplet-state calculations is comparable to that obtained for the singlet states. The similarities and differences in the pattern of avoided crossings for the ...

Energy Technology Data Exchange (ETDEWEB)

Heat transfer augmentation in a rib-roughened duct is affected by the rib configurations, such as rib height, angle of attack, shape, rib to rib pitch, and aspect ratio of a duct. These have been the main subjects in studying the average heat transfer and the friction loss of the fully developed flow. Investigating distributions of local heat transfer coefficients and flow patterns in a duct with the rib turbulators is necessary to find the characteristics of heat transfer augmentation and to decide the optimal configurations of ribs. In the present study the numerical analyses and the mass transfer experiments are performed to understand the flow through a rib roughened duct and the heat transfer characteristics with various angles of attack of ribs. A pair of counter-rotating secondary flow in a duct has a main effect on the lateral distributions of local mass transfer coefficients. Downwash of the rotating secondary flow, reattachment of ...

Energy Technology Data Exchange (ETDEWEB)

A future e{sup -}-e{sup +} (electron-positron) linear collider can be configured with perhaps minimal modification to serve as an {gamma}-{gamma} (gamma-gamma) or a e{sup -}-{gamma} collider. This is accomplished by Compton-backscattering low energy photons (from a laser source) off of the high-energy electron beams prior to the crossing of the electron beams. However, to be competitive with the e{sup -}-e{sup +} configuration, the luminosity cannot be compromised in the process. This requires that the laser source deliver a sufficient number of photons per pulse with a pulse format and rate matching that of the electron beams. As it turns out, this requires an average optical power of 5-15 kW from the laser which is beyond the current state of the art. In this paper, we address how to generate the required pulse format and how the high average power requirement can be met with conventional laser technology. We also address concerns about the ...

International Nuclear Information System (INIS)

The pole trajectory of Efimov states for a three-body ??? system with ?? unbound and ?? bound is calculated using a zero-range Dirac-? potential. It is shown that a three-body bound state turns into a virtual one by increasing the ?? binding energy. This result is consistent with previous results for three equal mass particles. The present approach considers the n-n-18C halo nucleus. However, the results have good perspective to be tested and applied in ultracold atomic systems, where one can realize such three-body configuration with tunable two-body interaction. Presented at the 20th Few-Body Conference, Pisa, Italy, 10-14 September 2007. (author)

Energy Technology Data Exchange (ETDEWEB)

A model for energy transport in a solid particle cavity receiver is developed and applied to the design and analysis of a receiver for the Central Receiver Test Facility (CRTF), Albuquerque, New Mexico. The model gives thermal performance results - including particle temperatures, cavity efficiencies, and wall temperatures - which directly affect the economic and technical feasibility of a solid particle receiver. In addition, design criteria relevant to the configuration of a solid particle cavity receiver are developed. Results for CRTF indicate that at design conditions particle temperatures will exceed 1200/sup 0/K with cavity efficiencies on the order of 75%.

Energy Technology Data Exchange (ETDEWEB)

The pH of the solution is shown to significantly effect the reflection anisotropy spectroscopy (RAS) profiles of adenine adsorbed at Au(110)/electrolyte interfaces. At pH 12.8 the net adsorption is very weak due the formation of negative adenine ions in solution. The sensitivity of the RAS profiles to the pH of the solution is probably due to a change in the geometry of the adsorbed molecules caused by a disruption of the base stacking configuration that is adopted when adenine is adsorbed from solutions at pH 7.1. (Abstract Copyright [2010], Wiley Periodicals, Inc.)