Science.gov (United States)

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

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

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.

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 ...

Czech Academy of Sciences Repository

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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.

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 ...

Energy Technology Data Exchange (ETDEWEB)

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

UK PubMed Central (United Kingdom)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

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

International Nuclear Information System (INIS)

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)

CERN Document Server

This work presents accurate ab initio determination of the hyperfine splitting for the ground state and few low-lying excited states of 113Cd+; important candidates for the frequency standard in the microwave region, using coupled-cluster theory (CC) in the relativistic framework. The calculated hyperfine splitting are well in agreement with recent experimental results. We have also carried out the lifetimes of the 5p2P1=2 and 5p2P3=2 states, which are in well agreement with recent experimental result (Moehring et al., PRA 73 023413, 2006). The roles of different electron correlation effects in the determination of these quantities are discussed and their contributions are presented in the CC terms.

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This book examines some of the basic principles behind chemical reactions kinetics. Topics considered include ab initio determination of potential energy for chemical reactions; semi-empirical potential energy surfaces; general theory of reactive scattering: different equation approach; and integral equation approach to reactive scattering.

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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.

International Nuclear Information System (INIS)

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

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, ...

International Nuclear Information System (INIS)

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

CERN Document Server

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

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We present ab-initio calculations of the electronic structure of small Fe clusters (1-9 atoms) on Ni(001), Ni(111), Cu(001) and Cu(111) surfaces. Our focus is on the spin moments and their dependence on cluster size and shape. We derive a simple quantitative rule that relates the moment of each Fe atom linearly to its coordination number. Thus, for an arbitrary Fe cluster the spin moment of the cluster and of the individual Fe atoms can be readily found if the positions of the atoms are known. (orig.)

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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 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 1998 American Institute of Physics.

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

Energy Technology Data Exchange (ETDEWEB)

By ab-initio calculation we show that the (Ga,Fe)N ground state may be changed from anti-ferromagnetic to ferromagnetic by acceptor defect like Ga vacancies. The electronic structures are calculated by using the Korringa-Kohn-Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that we can increase the magnetic moment of Fe in p-type GaN by oxygen co-doping. Mechanism of exchange interactions between magnetic ions in p-type (Ga,Fe)N is also studied. The effect of external magnetic field on the electronic structure of (Ga, Fe)N and p-type (Ga, Fe)N is investigated.

British Library Electronic Table of Contents (United Kingdom)

The transformation mechanism of hexagonal delta phase from the disordered bcc gamma phase has not been reported before in the Zr-rich U-Zr alloy system. With the help of X-ray diffraction, transmission electron microscopy (TEM) and high-resolution TEM analyses it was shown that the gamma to delta conversion takes place by the lattice collapse mechanism of omega transformation. It was also ascertained that a higher aging temperature or time promotes the growth of all four variants of the delta phase within a parent gamma grain. In addition, ab initio electronic structure calculations showed that the bcc to hexagonal transformation, involving partial ordering of the parent bcc phase followed by (111) plane collapse, is energetically favorable.

British Library Electronic Table of Contents (United Kingdom)

In order to obtain the electronic structure of leucine (Leu) in aqueous solution, we studied three systems: Leu+7H2O, Leu+8H2O and Leu+9H2O. The results indicated that the system Leu+8H2O was the only choice which was both acceptable and doable: its computational effort was affordable, and it could simulate a main part of the solvent effect on the electronic structure of Leu in solution. Based on the system Leu+8H2O, all-electron, ab initio calculations were performed to construct an equivalent potential of water for the electronic structure of Leu with dipoles. The results showed that the main effect of water on the electronic structure of Leu was raising the occupied states about 0.0824 Ry on average, and broadening the energy gap by 11%. The water effect on the electronic structure of L...

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We have developed a kinetic Monte Carlo (kMC) simulator that links atomic migration and binding energies determined primarily from first principles calculations to macroscopic phenomena and laboratory time scales. Input for the kMC simulation is obtained from a combination of ab initio planewave pseudopotential calculations, molecular dynamics simulations, and experimental data. The simulator is validated against an extensive series of experimental studies of the diffusion of B spikes in self-implanted Si. The implant energy, dose, and dose rate, as well as the detailed thermal history of the sample, are included. Good agreement is obtained with the experimental data for temperatures between 750 and 950 C and times from 15 to 255 s. At 1050o C we predict too little diffusion after 105 s compared to experiment: apparently, some mechanism which is not adequately represented by our model becomes important at this temperature. Below 1050o C, the ...

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(12/11)CASSCF and (12/11)CASPT2 ab initio electronic structure calculations with both the cc-pVDZ and cc-pVTZ basis sets find that there is a barrier to the very exothermic hydrogen shift that converts singlet methylnitrene, CH{sub 3}N, to methyleneimine, H{sub 2}C{double{underscore}bond}NH. These two energy minima are connected by a transition structure of C{sub s} symmetry, which is computed to lie 3.8 kcal/mol above the reactant at the (12/11)CASPT2/cc-pVTZ//(12/11)CASSCF/cc-pVTZ level of theory. The (12/11)CASSCF/cc-pVTZ value for the lowest frequency vibration in the transition structure is 854 cm{sup {minus}1}, and CASPT2 calculations concur that this a{double{underscore}prime} vibration does indeed have a positive force constant. Thus, there is no evidence that this geometry is actually a mountain top, rather than a transition structure, on the global potential energy surface or that a C{sub 1} pathway of lower energy connects the ...

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

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

CERN Document Server

We show that accretion disks, both in the subcritical and supercritical accretion rate regime, may exhibit significant amplitude luminosity oscillations. The luminosity time behavior has been obtained by performing a set of time-dependent 2D SPH simulations of accretion disks with different values of alpha and accretion rate. In this study, to avoid any influence of the initial disk configuration, we produced the disks injecting matter from an outer edge far from the central object. The period of oscillations is 2 - 50 s respectively for the two cases, and the variation amplitude of the disc luminosity is 10^38 - 10^39 erg/s. An explanation of this luminosity behavior is proposed in terms of limit cycle instability: the disk oscillates between a radiation pressure dominated configuration (with a high luminosity value) and a gas pressure dominated one (with a low luminosity value). The origin of this instability is the difference between the heat produced by viscosity and the energy ...

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 ...

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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. ...

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

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

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...

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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 ...

KoreaScience (Korea)

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UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

UK PubMed Central (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

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

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

Science.gov (United States)

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

British Library Electronic Table of Contents (United Kingdom)

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

UK PubMed Central (United Kingdom)

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

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

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

International Nuclear Information System (INIS)

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

Czech Academy of Sciences Repository

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Quark-hadron duality and its potential applications are discussed. We focus on theoretical efforts to model duality.

KoreaScience (Korea)

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International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

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

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)

Lithium isotope separation by displacement chromatography is studied using fundamental principles; the equations are derived assuming theoretical stages in lithium adsorption bands. The concentration profiles in the band are calculated numerically under unsteady state.

CERN Document Server

The status of the electroweak Standard Model is reviewed in the light of recent precision data and new theoretical results which have contributed to improve the predictions for precision observables, together with the remaining inherent theoretical uncertainties. Consequences for possible new physics are also discussed.

International Nuclear Information System (INIS)

Portuguese 2004 2 p. Brazil Resende, Jarbas Magalhaes Vieira, Gessy

CERN Document Server

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

CERN Document Server

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

British Library Electronic Table of Contents (United Kingdom)

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

Science.gov (United States)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

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 ...

International Nuclear Information System (INIS)

There has been increased theoretical and experimental research interest in autonomous mobile robots exhibiting cooperative behaviour. This paper provides consistent quantitative measures of organizational degree of a two-dimensional environment. We proved, by the way of numerical simulations, that the theoretically derived values of the feature are reliable measures of aggregation degree. The slope of the feature's dependence on memory radius leads to an optimization criterion for stochastic functional self-organization. We also described the intellectual heritages that have guided our research, as well as possible future developments. (author)

International Nuclear Information System (INIS)

This paper is concerned with the determination of a unique scaling parameter in complex scaling analysis and with accurate calculation of dynamics resonances. In the preceding paper we have presented a theoretical analysis and provided a formalism for dynamical resonance calculations. In this paper we present accurate numerical results for two non-trivial dynamical processes, namely, models of diatomic molecular predissociation and of barrier potential scattering for resonances. The results presented in this paper confirm our theoretical analysis, remove a theoretical ambiguity on determination of the complex scaling parameter, and provide an improved understanding for dynamical resonance calculations in rigged Hilbert space.

UK PubMed Central (United Kingdom)

The interaction between two metals, which can be either synergistic or antagonistic, implies that the behavior of one is changed by the presence of the other. Possible mechanisms of these interactions,...Full Text Available

UK PubMed Central (United Kingdom)

The protocols presently established for optimum seed storage do not account for the chemical composition of different seed species, the physiological status of the seed, and the physical status of water...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Woven Kevlar fabrics exhibit a number of beneficial mechanical properties which include strength, flexibility, and relatively low density. The desire to engineer or design Kevlar fabrics for specific applications has stimulated interest in the development of theoretical models which relate their effective mechanical properties to specific aspects of the fabric morphology and microstructure. In this work the author provides a theoretical investigation of the large deformation elastic response of a plane woven Kevlar fabric and compares these theoretical results with experimental data obtained from uniaxially loaded Kevlar fabrics. The theoretical analysis assumes the woven fabric to be a regular network of orthogonal interlaced yarns and the individual yarns are modeled as extensible elastica, thus coupling stretching and bending effects at the outset. This comparison of experiment with theory indicates ...

UK PubMed Central (United Kingdom)

The product-operator formalism is the most commonly used tool for describing and designing multidimensional NMR experiments. In spite of its relative simplicity and sound theoretical underpinnings,...Full Text Available

Science.gov (United States)

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

Science.gov (United States)

Previous experimental data and theoretical analysis have demonstrated that ... products of a technological process) but also other contaminants. ..... Thorough outgassing of solar array surfaces may result in significant decrease of arc ...

UK PubMed Central (United Kingdom)

The development of online communication systems related to prevention, decision making, and coping with cancer has outpaced theoretical attention to the attributes that appeal to system...Full Text Available

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

Theoretical x-ray transition energies, lifetimes and partial multiplet fluorescence yields are presented for all spectroscopic terms of electron configurations with a single K-shell vacancy and varying number of electrons in the L-shell and M/sub 1/-subshell for multiply-ionized silicon. 9 tables.

International Nuclear Information System (INIS)

The progress report for the Theoretical Physics Division of the United Kingdom Atomic Energy Authority, Harwell, 1985/6 is presented. The Division's research programme is divided into four sections - i) nuclear power (fuels, inspection and safety aspects), ii) radioactive waste management, iii) underlying research, and iv) non-nuclear contract research. The report contains a description of the research work carried out on these four topics in the above period. (U.K.).

Energy Technology Data Exchange (ETDEWEB)

The performance of a commercial heat pipe was investigated both experimentally and theoretically. The effect of the temperature difference, the surface area ratio, and the operational conditions on the performance were studied. The heat flow rate and the vapor temperature were estimated on a ready-made commercial heat pipe. Its performance varied considerably with operational conditions. Theoretical consideration of a mathematical model and several nomographs are also presented. This work is applicable to the design and use of heat pipes in the field.

Energy Technology Data Exchange (ETDEWEB)

A summary is provided of the first of three years of experimental and theoretical research on free-forced convection flows in cavity-type solar receivers. New experimental and theoretical results are presented and discussed. The implication of these findings, with respect to the future thrust of the research program, is clarified as well as is possible at the present time. Following various related conclusions a summary and tentative schedule of work projected for year two of research are presented.

International Nuclear Information System (INIS)

The droplet concentration profile in a liquid film-mist two-phase flow in a developing flow region of a horizontal rectangular channel was analyzed theoretically and experimentally. The effects of the mean settling velocity of droplets v sub(f) and the turbulent diffusion coefficient epsilon sub(p) on the droplet concentration profile were investigated by the theoretical analysis. The calculated results of the droplet concentration profile using the proper values of v sub(f) and epsilon sub(p) agreed with the experimental results. (author).

Energy Technology Data Exchange (ETDEWEB)

Theoretical and experimental results of investigating a cylindrical heat receiver with secondary reflectors are presented. One important element of solar thermal power plants (STPP) is the heat receiver. Several forms of heat receiver exist; the main form is the heat receiver of cavity form (including cylindrical, rectangular, and cubic heat receivers with a noncircular aperture). The linear dimension of such heat receivers is equal to, or larger than, the theoretical diameter of the concentrator focal spot.

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

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. ...

CERN Document Server

The process of radiation induced electron capture by protons or deuterons producing new ultra low momentum neutrons and neutrinos may be theoretically described within the standard field theoretical model of electroweak interactions. For protons or deuterons in the neighborhoods of surfaces of condensed matter metallic hydride cathodes, such conversions are determined in part by the collective plasma modes of the participating charged particles, e.g. electrons and protons. The radiation energy required for such low energy nuclear reactions may be supplied by the applied voltage required to push a strong charged current across a metallic hydride surface employed as a cathode within a chemical cell. The electroweak rates of the resulting ultra low momentum neutron production are computed from these considerations.

Energy Technology Data Exchange (ETDEWEB)

Progress in the worldwide capability of predicting the convective energy loss from solar central receivers is reviewed. The significant advances in the past three years have been in experimental areas. Baseline measurements of the convective heat transfer from large high-temperature surfaces, e.g., a flat plate and a cubical cavity, have been completed and empirical correlations have been obtained. Theoretical modeling activities have not kept pace with the experimental advances, however. Currently, the primary theoretical emphasis is the development and testing of turbulence models suitable for buoyant flows. Three major needs have been identified: the measurement of convective energy losses from operating solar central receivers; the continued development of theoretical models in spite of the relatively slow progress to date; and the quantification of the effects of atmospheric turbulence.

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

The determination of ratio of neutron over proton matrix elements by inelastic proton scattering, for 0{sup +}{yields}2{sup +} transitions, is investigated via the comparison between experimental data and theoretical calculations. Calculations into the context of a macroscopic and a microscopic description are performed for a wide mass range nuclei: {sup 18}O, {sup 30}Si, {sup 32,34}S, {sup 48}Ca, {sup 88}Sr, for which these ratios were determined previously with an independent technique. At that point the choice of the theoretical model may be very critical. It is thus the purpose of this investigation to point out the most suitable model. It is found that in general both theoretical models can be employed for the reliable determination of neutron over proton matrix element ratios.

International Nuclear Information System (INIS)

In this paper experimental observations and a theoretical analysis of periodic radiation bursts and macropulse formation in the start-up phase of a free-electron laser (FEL) oscillator are presented. This microwave FEL uses a long pulse electron beam with a slowly decaying voltage. The output radiation consists of a superposition of bell-shaped macropulses, each of which is composed of a periodic sequence of short micropulses. The micropulses are separated by a cavity round-trip time. Each bell-shaped macropulse has a random start-up time and amplitude. The startup of the radiation macropulses is correlated with random current spikes on the continuous electron beam. The observed macropulse signal agrees with a theoretical calculation of the impulse response of the FEL oscillator when the shift in the FEL resonance frequency arising from the slow voltage drop of the electron beam is included in the analysis. Possible applications of the ...

Energy Technology Data Exchange (ETDEWEB)

A strong effort is currently being devoted to the investigation of defects and diffusion phenomena in silicon. This effort is not only driven by the stringent technological requirements for the processing of integrated circuits of increased complexity and miniaturization, but also by the lack of fundamental understanding of many of the critical parameters and mechanisms involved. Experimental and theoretical investigations are needed to identify the properties of the defects, the mechanisms of impurity diffusion and the strength of impurity-defect, defect-defect, and impurity-impurity interactions. This volume provides a unique and interdisciplinary forum for the discussion of experimental, theoretical and applied aspects of defects and diffusion phenomena in silicon. Topics include: defect properties and diffusion phenomena in silicon; experimental and theoretical assessments of defect properties; transient-enhanced ...

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 ...

UK PubMed Central (United Kingdom)

Analysis of the use of information sources by family physicians is important for both practical and theoretical reasons. First, analysis of the ways in which family physicians handle information may...Full Text Available

Science.gov (United States)

Geometrical structures and energetic properties for different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest singlet excited state potential energy surfaces are studied. Four t...

International Nuclear Information System (INIS)

Arguments in favour of the possibility of the existence and the non-existence of tachyons are put forward. Some of the theoretical and experimental attempts which have either supported the view that tachyons exist or not are mentioned. In the light of evidence, available as of now, it is surmised that they may not exist and if they do, they may be neutral in charge. (K.B.).

UK PubMed Central (United Kingdom)

A theoretical framework centering on four classes of self-referent constructs is offered as a device for integrating the diverse areas constituting medical sociology. Guidance by this framework...Full Text Available

International Nuclear Information System (INIS)

The present status of theoretical description of deep-inelastic lepton-nucleon as well as large angle Bhabha scattering with account for radiative corrections in the leading and next-to-leading approximations are reviewed. Also considered is a build-up principle and physical programme of the photon-photon colliders

Energy Technology Data Exchange (ETDEWEB)

A theoretical derivation of the intershell mass--core mass relation of Paczynski is attempted. Formulae developed by Sugimoto and Fujimoto are extended to less massive (m/sub c/< or approx. =1) cores.

UK PubMed Central (United Kingdom)

Importance of the fieldThe cytochrome P450 (CYP) isoforms that are selectively induced following exposure to structurally-diverse chemicals often are the ones capable...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

We summarize some initial results in our investigation of the nuclear physics issues of gamma-ray lasers. We describe what is known thus far from existing experimental data and illustrate how theoretical models may be employed for systematic searches of candidate nuclei.

International Nuclear Information System (INIS)

The measurements of the L X-ray intensity ratio I(L?)/I(L?), I(L?)/I(L?), I(L?)/I(L?), I(L?)/I(L?) and I(L?)/I(L?) for elements Dy, Ho, Yb, W, Hg, Tl and Pb were experimentally determined both by photon excitation, in which 59.5 keV ?-rays from a filtered radioisotope 241Am was used, and by the radioactive decay of 160Tb, 160Er, 173Lu, 182Re, 201Tl, 203Pb and 207Bi. L X-rays emitted by samples were counted by a Si(Li) detector with resolution 160 eV at 5.9 keV. Obtained values were compared with the calculated theoretical values. Theoretical values of the I(L?/L?), I(L?/L?), I(L?/L?), I(L?/L?) and I(L?/L?) intensity ratios were calculated using theoretically tabulated values of subshell photoionization cross-section, fluorescence yield, fractional X-ray emission rates, Coster-Kronig transition probabilities. It was observed that present values agree with previous theoretical and other available ...

British Library Electronic Table of Contents (United Kingdom)

This is an overview of the present-day versions of monadology with some applications to vector lattices and linear inequalities. Two approaches to combining nonstandard set-theoretic models are sketched and illustrated by order convergence, principal projection, and polyhedrality.

CERN Document Server

Offers comprehensive coverage of the field of electrical double layer (EDL) research. This work discusses theoretical models used with EDL and demonstrates how they can be applied to typically encountered real-world problems including those that must be considered in modern industrial applications.

British Library Electronic Table of Contents (United Kingdom)

The influence of geometry and operating conditions of the centrifugal compressor stage on the radial gas force is determined on the basis of the theoretical method and calculation program using experimental boundary conditions.

Science.gov (United States)

What happens in the matrix of gender, technology, representation, and culture? This class will explore the theoretical issues raised within this matrix. We will also make sense of the theories through practical experiences with technologies like computers and cameras.

Energy Technology Data Exchange (ETDEWEB)

Explicit soliton solutions describing the inelastic interaction between sub- and superluminal particles are found within the framework of a new integrable model of relativistic classical field theory. The corresponding energies are nonnegative irrespective of the choice of reference frame.

Science.gov (United States)

Present methods for planning reliability improvement of launch vehicles are reviewed. A theoretical criterion for optimum allocation of resources for reliability improvement exists that requires equal marginal failure reduction for all elements to be impr...

Energy Technology Data Exchange (ETDEWEB)

The usual method of introducing engineers to the concept of dislocations and their role in plastic flow is to compare an estimate of the theoretical strength of solid (of order {micro}/30 where {micro} is the shear modulus) and the observed strength of either single crystals ({mu}/10{sup 4}) or practical engineering material such as structural steels where the yield stress in shear is of order {mu}/10{sup 3}. However, if one considers the problem in reverse, one can consider the accumulation of dislocations as an important mechanism by which one can produce engineering materials in which the strength level approaches the theoretical strength. If one assumes that the flow stress can be expressed in terms of te mean free path between stored dislocations or as the square root of the global dislocation density, then one can see the influence of dislocation density in a diagrammatic form. It is clear that the strengthening by dislocation ...

Energy Technology Data Exchange (ETDEWEB)

This paper describes the high-temperature (1500/sup 0/C or higher) heating technology by combusting natural gas. The theoretical adiabatic flame temperature is 1957/sup 0/C at the theoretical air ratio and 2801/sup 0/C at the theoretical oxygen ratio. The flame temperature is increased by 40/sup 0/C every 1%-increase of oxygen up to 25% of the concentration of oxygen and by 28/sup 0/C to 30% of it. The flame temperature is increased by 37 to 38/sup 0/C every 100/sup 0/C-increase of the temperature of preheated air. The practical temperatures are significantly lower than the theoretical ones. The ceramic calciner is provided with a two-stage burner for 1600 to 1800/sup 0/C which can use also the oxygen-riched air. The glass melting furnace is operated at 1500/sup 0/C and the flat flame burner is used for a single kiln. A stabilizing burner is used for reducing the multing time for the steel making ...

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

A survey of theoretical research on acoustic plasmons is given and prospects for the observation of these elusive modes are examined. Possible acoustic plasmon contributions to the transition temperatures of the superconducting A-15 compounds are considered. Directions for future experiments and theory are suggested.

International Nuclear Information System (INIS)

The construction of the linear isomorphous and relativistic semigroup, of the Lorentz group and of tachyons was done using a dual pair of space-times, where the sought realization of the parametric semigroup is the semigroup of relativist endomorphisms. The obtained relativistic semigroup of dual space-time transformations possesses certain theoretical-probability properties.

International Nuclear Information System (INIS)

The theoretical hardness against total dose of the six-transistor SRAM cell is investigated in detail. An explicit analytical expression of the maximum tolerable threshold voltage shift is derived for two cross-coupled inverters. A numerical method is used to explore the hardness of the read and write operations. Both N- and P-channel access transistors designs are considered and their respective advantages are compared. The study points out that the radiation hardness mainly relies on the technology. Results obtained with the very robust Gate-All-Around process are finally presented.

Energy Technology Data Exchange (ETDEWEB)

We have continued to finish up our work on analyzing relationships between elastic properties and rock microstructure. We have worked on theoretical models for the effects of sorting and packing on elastic moduli and seismic velocities. After analyzing the scanning acoustic images of shales to quantify textures at different scales, we are now using theoretical inclusion models to quantify the elastic property variation with texture. In the closing phases of this project most of our efforts are now focused on writing up the results and preparing the final reports.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The heat transfer characteristics of a newly developed transport and storage cask for vitrified heat-producing radioactive waste from reprocessing are described. The theoretical layout of the cask was tested by measurements on a prototype cask of the scale 1:1. These measurements confirmed the theoretical thermodynamic layout data. They can be described by the function Nu=CxRa"m, with the constant C, but not the constant m, differing for a vertical and a horizontal position of the cask. The measured velocity and temperature profiles of the cask were verified with an existing code for the calculation of heat transfer from finned horizontal cylinders by natural convection. (orig.).

Science.gov (United States)

This study presents a theoretical analysis of heat generation and dissipation of field-controllable magneto-rheological fluid (MRF) shock absorbers. Since MRF dampers are energy- dissipating devices, the issues of heat generation and dissipation are important in predicting their performance. A theoretical model is developed based on Bingham plastic model to estimate temperature history of the MRF dampers. The governing equation includes the MRF viscosity as a function of the temperature. The numerical solutions are compared with experimental results in order to validate the accuracy of the model, and excellent agreements are obtained.

International Nuclear Information System (INIS)

The composite wave variational version of the APW (augmented plane wave) method is used to obtain the electronic band structure of the compounds boron phosphide and boron arsenide at the high symmetry points #GAMMA#, X, and L. The tight binding interpolation scheme of Slater and Koster is used to calculate the rest of the band structure. The results show that both these materials are indirect band gap semiconductors. The density of states, and the imaginary part of the dielectric constant is also calculated. The theoretical results are compared with the reported experimental and theoretical data. (author).

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Mixed-convection phenomena can occur within liquid-dominated geothermal reservoirs due to interactions of injected flows, or ground-water flows, with the buoyancy-induced fluid motion. This problem was studied experimentally and numerically for the case of opposing flows about a vertical heat source in a liquid-saturated porous medium. The ratio of the Rayleigh number (Ra) to the Peclet number (Pe) was identified as the nondimensional parameter which characterizes the relative influence of buoyancy-driven to pressure-gradient-driven fluid motion. The transition from mixed to forced convection was numerically determined to be (Ra/Pe) approx. = -0.5, where the minus sign denotes superimposed downflow. Agreement between measured and predicted thermal-field results showed that the finite-element code of Gartling and Hickox (1982 a,b) can be used to model low-temperature (single-phase) geothermal reservoirs throughout the natural, mixed, and forced convection regimes. 9 ...

Energy Technology Data Exchange (ETDEWEB)

The BMW four-cylinder two-valve engine was first launched in September 1987 as a 1.8 l engine and was described in detail in [1]. After initial optimisation for model year 94, four years later the engine has undergone a complete technical revision. From model year 98, the four-cylinder two-valve engine with appropriate exhaust emission technology will satisfy the EU3 class for exhaust emissions. (orig.) [Deutsch] Der BMW Vierzylinder-Zweiventilmotor wurde im September 1987 als 1,8-l-Motor erstmals vorgestellt und in [1] ausfuehrlich beschrieben. Nach einer ersten Optimierungsueberarbeitung zum Modelljahr 1994 wurde nun eine grundlegende technische Ueberarbeitung vorgenommen. Der Vierzylindermotor mit Zweiventiltechnik erfuellt als Antriebsaggregat in Verbindung mit einer entsprechenden Abgastechnik bereits ab Modelljahr 1998 die EU 3-Stufe fuer Abgasemissionen. (orig.)

International Nuclear Information System (INIS)

A new three-dimensional treatment planning system (TPS) based on convolution/superposition algorithms (TMS-Radix from HELAX AB, Uppsala, Sweden) was recently installed at the University Hospital in Lund. The purpose of the present study was to design a quality assurance and acceptance testing programme to meet the specific characteristics of this convolution model. The model is based on parametrization of a non-measurable quantity - the polyenergetic pencil beam. However, the verification of the treatment planning model is still dependent on numerous comparisons of measured depth-doses and dose profiles. The test programme was divided in two basic parts: (i) model implementation and beam data consistency and (ii) model performance and limitations in special situations. The first part was scheduled for all photon beam qualities available before they could be used for clinical treatment planning. The second part was performed for selected energies only. The results ...

CERN Document Server

The origin of life and the origin of the universe represent two of the most important problems of science. Both are resolved by hydro-gravitational dynamics (HGD) cosmology (Gibson 1996, Schild 1996, Gibson 2009ab), which predicts frozen primordial hydrogen-helium gas planets in clumps as the dark matter of galaxies. Merging Earth-mass planets formed stars, moons and comets to incubate and cosmically seed the first life. Cometary panspermia (Hoyle and Wickramasinghe 1981, 1982; Wickramasinghe et al. 2009) occurs naturally by HGD mechanisms. Comets and moons are fragments from mergers of stardust covered frozen gas planets in their step-wise growth to star mass. Supernovae from stellar over-accretion of planets produce stardust (C, N, O, P etc.) chemical fertilizer. Planets collect this infected radioactive dust gravitationally, to provide liquid water domains in contact with life nutrients seeded with life prototypes. The first mutating, evolving, life from HGD ...

International Nuclear Information System (INIS)

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

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 ...

British Library Electronic Table of Contents (United Kingdom)

Abstract Background & aims: Hepatitis B or C virus infection is considered to be the main cause of hepatocellular carcinoma (HCC) in Japan. Aflatoxin B1 (AFB1) is a carcinogen associated with HCC in regions with high exposure. Mutations in codon 249, exon 7 are a hallmark of AFB1 exposure. Therefore, to clarify the role of AFB1 in hepatocarcinogenesis, we examined AFB1-DNA in liver tissue and sequenced TP53 in Japanese patients with HCC. Methods: Hepatocyte AFB1-DNA adducts were determined immunohistochemically and direct sequencing of TP53 was done to determine mutations in 188 of 279 patients who underwent hepatic resection for HCC. We assessed hepatitis C virus antibodies (HCV Ab) and HBSAg expression; patients without either were defined as having non-B non-C hepatocellular carcinoma (...

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to the individual computer programmes and prototypes, and examples and diagrams are presented. The programmes included are a geometry programme for the calculation of areas, lengths and volumes, a programme for the calculation of heat losses in buildings and for moisture in ...

Energy Technology Data Exchange (ETDEWEB)

The aim was to gain experience on how to produce Alkali Metal Thermo-Electric-Converter (AMTEC) cells, for the demonstration of their principles and potentials, as a basis for future commercialization. These cells should be able to present an efficient and direct conversion of thermal energy to electric energy. The system is based on an electro-chemical concentration cell built around a {beta}`` aluminium oxide membrane that separates the two chambers. This material is a good conductor of sodium and a bad conductor of electrons, and it is this property which is taken advantage of. In the two chambers of the cell is found saturated sodium vapour at two temperatures. The motive power is the expansion over the membrane where the sodium ions are transported through it whilst the electrons are forced through the outer cycle. This concept is described in detail in addition to the choice of materials, performance testing and results. It was found possible to produce AMTEC electrodes via ...

Science.gov (United States)

The reconstruction of segmental defect in long bone is a clinical challenge. Multiple surgeries are typically required to restore the structure and function of the affected defect site. In order to overcome this defect a biodegradable bone tissue engineering scaffold is used. This scaffold acts as a carrier of proteins and growth factors, while also supporting the load that the bone would normally sustain, until the natural bone can regenerate in its place. Work was done to optimize an existing solid free-form scaffold design. The goal of the optimization was to increase the porosity of the scaffold while maintaining the strength of a previously-tested prototype design. With this in mind, eight new designs were created. These designs were drawn using CAD software and then through the use of finite element analysis the theoretical ultimate compressive strength of each design was obtained. Each scaffold design was constructed by casting a thermal-curable ...

International Nuclear Information System (INIS)

Reported in this paper are the theoretical and experimental studies, with regard to the effects of radiation between walls, conducted for the improvement of heat transfer characteristics of the circular duct in high temperature heat exchangers that operate through the medium of non-radiating gases at around 1,000"0C. To study the fundamental performance of the heat transfer augmentation, the experiment was carried out using a double tube at temperatures up to 900"0C. The outer tube in a double tube was selectively heated so as to give a uniform heat flux selected of 6.5 x 10"3 and 4.6 x 10"4 kcal/m"2.h, while the inner tube was used as a radiating surface to impart the radiation heat transmitted from the outer tube. Selectively preheated air was caused to flow in an annular passage at an inlet temperature selected within 100"0C to 400"0C and with the Reynolds number of 2.9 x 10"3 to 3.5 x 10"4. The heat transfer characteristics were found to improve by 22% to 79% ...

Energy Technology Data Exchange (ETDEWEB)

In the past three years, we followed the work plan as we suggested in the proposal and made every efforts to fulfill the project objectives. Based on our large amount of creative and productive work, including both of experimental and theoretic aspects, we received important technical breakthrough on naphthenic acid removal process and obtained deep insight on catalytic decarboxylation chemistry. In detail, we established an integrated methodology to serve for all of the experimental and theoretical work. Our experimental investigation results in discovery of four type effective catalysts to the reaction of decarboxylation of model carboxylic acid compounds. The adsorption experiment revealed the effectiveness of several solid materials to naphthenic acid adsorption and acidity reduction of crude oil, which can be either natural minerals or synthesized materials. The test with crude oil also received promising results, which can be potentially ...

British Library Electronic Table of Contents (United Kingdom)

This paper defines homometry in the rather general case of locally-compact topological groups, and proposes new cases of its musical use. For several decades, homometry has raised interest in computational musicology and especially set-theoretical methods, and in an independent way and with different vocabulary in crystallography and other scientific areas. The link between these two approaches was only made recently, suggesting new interesting musical applications and opening new theoretical problems. We present some old and new results on homometry, and give perspective on future research assisted by computational methods. We assume from the reader's basic knowledge of groups, topological groups, group algebras, group actions, Lebesgue integration, convolution products, and Fourier trans...

Energy Technology Data Exchange (ETDEWEB)

This dissertation deals with both the theoretical and the technological aspects of monolithic tunable lasers, and the experimental techniques for opto-electronic integration. In the theoretical part, the principles and limitations of wavelength tuning and spectral linewidth reduction in monolithic semiconductor lasers are described, with coupled distributed feedback-Fabry Perot (DFB-FP) lasers and long DFB lasers as examples. Stepwise tuning of wavelength over tens of nanometers and continuous tuning over the range of a mode spacing are shown to be possible. Spatial hole burning is found to affect the spectral linewidth of lasers involving strong active gratings. On the technological side, one of the major issues is the fabrication of flexible gratings. Direct-writing techniques, such as focused ion beam (FIB) implantation and e-beam lithography, provide the resolution, flexibility and accuracy that conventional holographic lithography lacks. ...

Science.gov (United States)

Based on a collisional-radiative model, an atomic-kinetic calculation of the gains on the 41.8-nm transitions of Pd-like xenon was performed for the plasma produced due to the interaction of a femtosecond laser pulse with gaseous xenon. The gains g(z,{tau}) averaged over the spatial and temporal coordinates were compared with the known gains which had been measured experimentally in Xe{sup 8+}. The amplification was shown to occur under the conditions of ionisation of the working ions, and the time of output radiation saturation depends on the time of Xe{sup 8+} transformation to higher-ionised ions. Our theoretical investigation enables determining the optimal pump parameters, at which the product of the gain g by the active medium length L is about 20, which exceeds the experimental gL value. (active media)

Energy Technology Data Exchange (ETDEWEB)

The advent, in the near future, of compact X-ray sources like Thomson Back-Scattering (TBS) will allow the clinical application of advanced X-ray imaging techniques, such as phase contrast, with higher sensitivity and lower impact in terms of dose delivery. In this work, we theoretically investigated the possibility of using such sources for phase contrast imaging of micro-calcifications included in a breast tissue. In our study we analyzed the phase and amplitude distribution of the TBS source and we showed that this source can be used for phase contrast imaging since the source coherence at the sample position is sufficiently high for achieving good contrast and micrometer spatial resolution. Indeed the spatial coherence of a TBS source is closer to that of a synchrotron radiation source, and much better than that of a laboratory source. Moreover, we showed the advantages of phase imaging with respect to standard absorption imaging, in the specific case of ...

Energy Technology Data Exchange (ETDEWEB)

There are many factors affecting diffusion bonding in order to obtain high quality joining. Therefore, in the beginning, we constructed diffusion bonding model based on void growth mechanism to predict bonding pressures and times. In addition, in order to compare theoretical values with experimental values, diffusion bonding tests were carried out by using commercial AZ31 magnesium alloy sheets with different grain sizes, 16 and 130 {mu}m. The present AZ31 alloys were successfully diffusion bonded at several conditions, and the bonding strength was more than 0.8 of each parent materials. The experimental bonding conditions in high quality joining, times and pressures, were good agreed with prediction analysis. (orig.)

British Library Electronic Table of Contents (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

In this book are found technical and scientific papers on the main works of the Direction of the Fuel Cycle (DCC) in France. The study fields are: the up-side of the nuclear fuel cycle with theoretical studies (plasma simulation) and technological developments and instrumentation (lasers diodes, carbides plasma projection, carbon 13 enrichment); the down-side nuclear fuel cycle with theoretical studies (ion Eu{sup 3+} complexation simulation, decay simulation, uranium and plutonium diffusion study, electrolyser operating simulation), scenario studies ( recycling, wastes management), experimental studies; dismantling and cleaning (soils cleaning, surface-active agent for decontamination, fault tree analysis); analysis with expert systems and mass spectrometry. (A.L.B.)

Energy Technology Data Exchange (ETDEWEB)

A number of different theoretical approaches have been used to model to atomic structure and properties of solid-liquid interfaces. Most calculations indicate that ordering occurs in the first several layers of the liquid, adjacent to the crystal surface. In contrast to the numerous theoretical investigations, there have been no direct experimental observations of the atomic structure of a solid-liquid interface for comparison. Saka et al. examined solid-liquid interfaces in In and In-Sb at lattice-fringe resolution in the TEM, but their data do not reveal information about the atomic structure of the liquid phase. The purpose of this study is to determine the atomic structure of a solid-liquid interface using a highly viscous supercooled liquid, i.e., a crystal-amorphous interface.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Theoretical investigations of fatty acids as a phase change material (PCM) for energy storage system have been conducted in this study. The selected fatty acids were capric acid, lauric acid, myristic acid, palmitic acid and stearic acid. For the two-dimensional simulation model based on the enthalpy approach, calculations have been made for the melt fraction with conduction only. Glass, stainless steel, tin, aluminium mixed, aluminium and copper were used as heat exchanger materials in the numerical calculations. Theoretical results show that capric acid was found good compatibility with latent heat storage system. The large value of thermal conductivity of heat exchanger materials did not make significant contribution on the melt fraction. (author)

Energy Technology Data Exchange (ETDEWEB)

In the near well-bore region and perforations, petroleum fluids usually flow at high velocities and may exhibit non-Darcy-flow behavior. Microorganisms can increase permeability and porosity by removing paraffin or asphaltene accumulations. They can also reduce interfacial tension by producing biosurfactants. These changes can significantly affect non-Darcy flow behavior. Theoretical analysis shows that microbial activities can enhance production by decreasing the turbulence pressure drop and in some cases increasing the drag force exerted to the oil phase. This implies that the effects of microbial activities on non-Darcy flow are important and should be considered in the evaluation of microbial well stimulation and enhanced oil recovery.

International Nuclear Information System (INIS)

Scanning thermal microscopy (SThM) was used to map thermal conductivity images in an ultrafine-grained copper surface layer produced by surface mechanical attrition treatment (SMAT). It is found that the deformed surface layer shows different thermal conductivities that strongly depend on the grain size of the microstructure: the thermal conductivity of the nanostructured surface layer decreases obviously when compared with that of the coarse-grained matrix of the sample. The role of the grain boundaries in thermal conduction is analyzed in correlation with the heat conduction mechanism in pure metal. A theoretical approach, based on this investigation, was used to calculate the heat flow from the probe tip to the sample and then estimate the thermal conductivities at different scanning positions. Experimental results and theoretical calculation demonstrate that SThM can be used as a tool for the thermal property and microstructural analysis of ...

Energy Technology Data Exchange (ETDEWEB)

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The primary aim of this project is to obtain a basic scientific understanding of electrical transport processes at interfaces that contain an organic electronic material. Because of their processing advantages and the tunability of their electronic properties, organic electronic materials are revolutionizing major technological areas such as information display. We completed an investigation of the fundamental electronic excitation energies in the prototype conjugated polymer MEH-PPV. We completed a combined theoretical/experimental study of the energy relation between charged excitations in a conjugated polymer and the metal at a polymer/metal interface. We developed a theoretical model that explains injection currents at polymer/metal interfaces. We have made electrical measurements on devices ...

British Library Electronic Table of Contents (United Kingdom)

This paper presents a new method of extracting biologic particles from a mixture of particles. The method is based on the pumping effect in a p-shaped ultrasonic actuator, which has a gap between its two vibrating metal plates. An adhesive tape is placed at a proper position in the gap. Due to the pumping effect which is induced by the sound field in the gap, the particles with smaller mass and radius in the mixture can be pumped up to reach the adhesive tape; while the ones with larger mass cannot. Therefore, the particles with smaller mass and radius can be extracted from the mixture. A theoretical model which can well explain the operation principle and experimental phenomena is developed. By the experimental results and the theoretical analyses based on the model, the validity of the m...

Science.gov (United States)

A detailed study has been performed for estimating the orbital energies, positions and shifts of the Lyman lines of C5+, Al12+ and Ar17+ under strongly coupled plasma with a view to understand such line positions and shifts obtained in laser produced plasma experiments. The effect of strongly coupled plasma has been treated within the Ion Sphere (IS) model. Both non-relativistic and relativistic methods have been used for estimating the spectral properties. Theoretical estimates with IS model of the plasma are in conformity with the results of laser plasma experiments on these highly stripped ions. The experimental data for the systems have also been compared with the theoretical estimates using Debye screening model of the plasma with spatial confinements which gives additional restrictions to the wave functions at finite boundaries.

Energy Technology Data Exchange (ETDEWEB)

The final report for a Laboratory Directed Research and Development project entitled, ``Capturing Recrystallization of Metals in a Multiscale Materials Model'' is presented. In this project, deformation and recrystallization processes have been followed experimentally and theoretically in order to incorporate essential mechanisms from the defect (dislocation) and grain size length scales. A nonlinear rotational gradient theory has been developed which enables the incorporation of microstructural parameters. The evolution of these parameters during deformation and recrystallization has been characterized qualitatively and quantitatively, applying various electron optic techniques ranging over several length scales. The theoretical and experimental framework developed is general. It has been exemplified by an application to recrystallization in single crystals and bicrystals of aluminum. The recrystallization process has been ...

Energy Technology Data Exchange (ETDEWEB)

A two-phase flow regime map is developed experimentally and theoretically for a vertical hexagonal flow channel with and without a 36-finned rod hexagonal bundle. This type of flow channel is of interest to MAPLE-type nuclear research reactors. The flow regime maps are determined by visual observations and observation of waveforms shown by a capacitance-type void fraction meter. The experimental results show that the inclusion of the finned hexagonal bundle shifts the flow regime transition boundaries toward higher water flow rates. Existing flow regime maps based on pipe flow require slight modifications when applied to the hexagonal flow channel with and without a MAPLE-type finned hexagonal bundle. The proposed theoretical model agrees well with experimental results.

Energy Technology Data Exchange (ETDEWEB)

A theoretical framework for the hierarchical multiscale modeling of inelastic response of heterogeneous materials has been presented. Within this multiscale framework, the second gradient is used as a non local kinematic link between the response of a material point at the coarse scale and the response of a neighborhood of material points at the fine scale. Kinematic consistency between these scales results in specific requirements for constraints on the fluctuation field. The wryness tensor serves as a second-order measure of strain. The nature of the second-order strain induces anti-symmetry in the first order stress at the coarse scale. The multiscale ISV constitutive theory is couched in the coarse scale intermediate configuration, from which an important new concept in scale transitions emerges, namely scale invariance of dissipation. Finally, a strategy for developing meaningful kinematic ISVs and the proper free energy functions and evolution kinetics is ...

Energy Technology Data Exchange (ETDEWEB)

Information is given on the theoretical principles underlying the technology of producing fibrous plastics and wood slabs. An examination is made of the most important characteristics of the physics and chemistry of polymers, and the properties of synthetic polymers used in the wood processing industry. A description is given of the chemical composition and properties of wood and its components as well as of synthetic polymers made of cellulose. The book is designed for students of technical schools of the wood and pulp processing industry. 7 references, 14 figures, 1 table.

Science.gov (United States)

To understand the evolution of giant stars, it is important to pin down the masses for Cepheids. The 7- to 10-day bump Cepheids imply lower than evolutionary mass (60%). Recent theoretical work, though, indicates that for Cepheids with periods of 15 to 16 days, the best understanding of the light curves results from using evolutionary masses.

Energy Technology Data Exchange (ETDEWEB)

Methods of designing ultrasonic piezoelectric transducers in accord with a specified directivity pattern are analyzed and general formulas are presented for the design problem. As an example, the pressure distribution on the working surface of a circular piezoelectric transducer is determined that is capable of forming a narrow weakly divergent beam. Experimental results are presented with respected to ultrasonic fields that support the theoretical conclusions.

International Nuclear Information System (INIS)

Evidence for triaxial nuclear shapes from families of unique-parity states in transitional odd-A nuclei around mass A=190 and A=130 is reviewed. The experimental data are analysed within the odd-A triaxial core model. Regular two-dimensional band patterns are found in experiment and are shown to be a consequence of broken axial symmetry. Recent theoretical developments are discussed including the question of how stable the triaxial shapes are.

Science.gov (United States)

Steady-state and transient behavior of the longitudinally pumped semiconductor laser is theoretically investigated by using a rate-equation model with distributed gain and photon density. Conditions necessary for bistable operation are derived. Dependencies of such major switching characteristics as turn-on and turn-off powers, delay, and rise times on laser parameters are examined. Influences of spontaneous radiation, impurities, and Auger recombination are studied. The results offer an explanation for the observed nonlinear behavior of face-pumped lasers.

Energy Technology Data Exchange (ETDEWEB)

The nature and relationship of methane to coal mines is discussed and sources of information are outlined. Methods of gas analysis in general and methods for the detection of methane in use in coal mines are described. Methods of remote detection of gases and those that have application for use in underground coal mining operations are discussed. The report represents recommendations on remote methane detection systems that may find application in underground coal mines. (20 refs.)

Energy Technology Data Exchange (ETDEWEB)

A review of theoretical and observational research on the magnetopause during 1987-1990. Starting with recent work on magnetic reconnection, the review proceeds to magnetopause surface wave phenomena, including the controversy over the role of solar wind pressure pulses in the coupling process and in the mimicking of flux transfer events signatures, and finishes with the magnetopause structure and associated wave phenomena. Recent advances in computer modeling of the magnetopause and the pertinent processes are also discussed. 108 refs.

International Nuclear Information System (INIS)

The present state of knowledge on the influence of stray radiation on image quality and its physical description and quantification is summarized. Experimental results on the influence of physical parameters on the fraction of scattered radiation and the effect of scatter reduction by air gap technique and secondary radiation grids are committed. Open theoretical and practical problems and the limitations of common methods of scatter reduction are pointed out. (author).

International Nuclear Information System (INIS)

The high pressure discharges (pulsed or D C corona, barrier, gliding and the others), have been studied both experimentally and theoretically as sources of low temperature plasma for pollution control technologies. The potential of electrical discharge methods has been demonstrated for the decomposition of many types of VOC. The air or oxygen are used as a feed gas in which pollutant is diluted. The ozone production in air or oxygen in such discharges is also discussed

International Nuclear Information System (INIS)

The mechanism for afterglow suppression in codoped CsI:Tl,Eu reported in the preceding paper was investigated by combined radioluminescence and thermoluminescence experiments. Model rate equations informed by these experiments were employed to simulate afterglow. It was found that codoping with europium introduces deep electron traps, with room-temperature glow peaks, that effectively scavenge the electrons from shallow traps associated with thallium, thus suppressing afterglow in the time domain of tens of milliseconds.

Energy Technology Data Exchange (ETDEWEB)

6 mm diameter current leads made of M1, M3 copper and L62 brass are tested for extension of operation range of current leads supplying superconducting devices submerged into the cryostat. Data characterizing the effect of material purity on lead superheating are obtained. A theoretical model permitting to obtain analytical dependences for calculating the current lead maximum temperature is proposed and the possibility of its decrease by increasing current lead diameter in the hot part is considered.

International Nuclear Information System (INIS)

Two sets of experiments have been performed in sodium with two seven pin electrically heated bundles: the first with a nominal arrangement, the second with one dummy pin enlarged 20% in diameter in peripheral position. In this paper a rapid review of experimental results and theoretical works, related to the temperature distribution in these geometries, is presented together with a short description of the developed test section technology.

International Nuclear Information System (INIS)

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

CERN Document Server

Although statistical design is one of the oldest branches of statistics, its importance is ever increasing, especially in the face of the data flood that often faces statisticians. It is important to recognize the appropriate design, and to understand how to effectively implement it, being aware that the default settings from a computer package can easily provide an incorrect analysis. The goal of this book is to describe the principles that drive good design, paying attention to both the theoretical background and the problems arising from real experimental situations. Designs are motivated t

Energy Technology Data Exchange (ETDEWEB)

Lorentz invariant theory of second quantization of superluminal electromagnetic fields has been constructed in purely group theoretical manner by using the reduced expansion of four-vector fields for imaginary mass system in terms of standard helicity representations of Poincare group. It has been shown that the usual relationship of spin and statistics need not be inverted for Lorentz invariance of the theory of spin-1 tachyons. 15 refs.

Energy Technology Data Exchange (ETDEWEB)

A review of fission product yields and delayed neutron data for Np-237, Pu-242, Am-242m, Am-243, Cm-243 and Cm-245 has been undertaken. Gaps in understanding and inconsistencies in existing data were identified and priority areas for further experimental, theoretical and evaluation investigation detailed. (author)

International Nuclear Information System (INIS)

Recent results of experimental and theoretical investigations, carried out in the Institute of plasma Physics of the NSC KIPT, are presented in the report. The main problems of discussion are as follows: plasma confinement and heating in stellarators and electromagnetic traps; powerful quasi-steady-state plasma accelerators (QSPA); experiments relevant for ITER; fusion Plasma theory; methods of high temperature plasma diagnostics; plasma technology. The main prospects on the IPP investigators are discussed also.

International Nuclear Information System (INIS)

In the first part of this contribution, the definition of reference values is given and the theoretical and practical problems in the application of this concept are discussed. In this connection, the present resources on instrumentation and the technical requirements for dose assessment are described. In the second part, some consequences are taken and proposals for further actions are made. (orig.)

Wastenet

... Targeted fields of research Continuation of ongoing research - Finalising detailed design work on the ITER project; getting JET operational at full power; Improvement of the basic concepts of fusion devices - Fusion plasmas; theoretical studies; technology watch on research into inertial confinement; new experimental concepts and systems; etc.; Long-term technology - Preparations for building a demonstration reactor (development of tritium breeding blankets; prospective ...

Energy Technology Data Exchange (ETDEWEB)

Pyrheliometric methods are described (particularly methods for measuring the solar constant), and theoretical and experimental studies in this field are surveyed and systematized. Particular attention is given to the analysis of instruments intended for pyrheliometers used as standards, reference instruments, and solar-constant meters is examined, and consideration is given to methods for determining the thermal-radiation properties of absorbing coatings and methods for calculating the absorption coefficients of cavity receivers.

International Nuclear Information System (INIS)

X-ray imaging is a very useful plasma diagnostic method. A theoretical analysis of the x-ray phase imaging in the method based on Fresnel diffraction is given. The authors show it is a linear band pass filter, a property suit for Rayleigh-Taylor (R-T) instability measurement. The evaluation permits the possibility of R-T instability measurement in x-ray phase imaging

International Nuclear Information System (INIS)

The capture cross sections of Am 242m can be deduced from resonances analysis at low energy and computed with theoretical models at high energy. In this work, a coherent set of cross sections which reproduced the experimental values of the fission cross sections is computed. These calculations were performed for an energy of the incoming neutron between 1 keV and 1 MeV.

British Library Electronic Table of Contents (United Kingdom)

Diffraction by an impermeable scatterer in ?3 with a Dirichlet boundary condition is considered. It is shown that the null field equation is equivalent to the original diffraction problem. The general theoretical constructions are illustrated by analyzing the excitation of a sphere by a point source. The evolution of the residual of the null field equation as the scatterer surface is approached by an auxiliary surface is estimated.

Wastenet

... Based in the Philippines, it has a broad remit, covering all philosophical topics, but with a particular focus on analytic ...net/ Cultura is a Romanian-based international journal devoted to philosophy of culture and axiology (the study of value). It aims ...edu/ Aporia is an online undergraduate philosophy journal based at Brigham Young University in Utah, USA. All articles are written by undergraduates,...edu/pcs/basic.html Theoretical and Conceptual Advances in the Cognitive Neuroscience of Self Representation: Representations of the Minimal Self in Self-Narrative is ...