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

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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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 ...

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.

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 of states for the ...

Energy Technology Data Exchange (ETDEWEB)

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

UK PubMed Central (United Kingdom)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Science.gov (United States)

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

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

Energy Technology Data Exchange (ETDEWEB)

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 have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

CERN Document Server

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

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

(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 ...

Energy Technology Data Exchange (ETDEWEB)

We report the results of ab initio calculations of cross sections and molecular-frame photoelectron angular distributions for C 1s ionization of CO2, and propose a mechanism for the recently observed asymmetry of those angular distributions with respect to the CO^+and O^+ions produced by subsequent Auger decay. The fixed-nuclei, photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. We have also carried out electronic structure calculations which identify a dissociative state of the CO2^++ dication that is likely populated following Auger decay and which leads to O^+ + CO^+ fragment ions. We show that a proper accounting of vibrational motion in the computation of the photoelectron angular distributions, along with reasonable assumptions about the nuclear dissociation dynamics, gives results in good agreement with recent experimental observations. We also demonstrate that ...

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

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

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

Noncollinear (NC) magnetism is common in nature, especially when there exist geometrical frustration and chemical imparity in the system. In this work we studied the NC magnetism and the response to external magnetic fields in surfaces and interfaces of transition metals by using an semi-empirical tight-binding (TB) method that parameterized to the ab initio TB-LMTO calculations. We implemented this method to study two systems. The first one is the system of 6 Mn monolayers on Fe(001) substrate. Due to the complex structure and magnetic properties of Mn, we found 23 collinear magnetic configurations but only one NC configuration. The collinear ground state has a layered antiferromagnetic (AFM) coupling which agrees with previous experiments and calculations. In the NC configuration the local AFM coupling in the Mn layers is preserved, but the surface is 90 degree coupled to the substrate. Similar to the experiment in CdCr{sub 2}O{sub 4}, we ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

... astatine complexes astatine compounds coulomb energy effective charge

Energy Technology Data Exchange (ETDEWEB)

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

KoreaScience (Korea)

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Science.gov (United States)

... initiation) Pressed e Combustible Cartridge Cases Quantity-Distance Table ... Combustible Cartridge Cases, and Electrically Exploded Devices in ...

International Nuclear Information System (INIS)

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

British Library Electronic Table of Contents (United Kingdom)

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

UK PubMed Central (United Kingdom)

This paper examines theoretically the effects that restraints on the tertiary structure of a superhelical DNA domain exert on the energetics of linking and the onset of conformational transitions. The...Full Text Available

Science.gov (United States)

Canada will provide telescope baffles and fine error sensor assemblies. ..... ( Ongoing) Flight tests aboard sounding rockets and balloon planned for FY 1995. .... the effects of incoming energetic particles and solar radiation on the ...

Energy Technology Data Exchange (ETDEWEB)

The nitric oxide molecule is being studied in order to understand the energetics and chemistry of initiation and detonation in liquid NO at the molecular level. An overview is presented of the work being done. (DLC)

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Toroidicity Alfven Eigenmodes (TAE) in ITER can be driven unstable by two groups of energetic particles, the 3.5 MeV {alpha}-particle fusion products and the tangentially injected 1MeV beam ions. Stability conditions are established using the perturbative NOVA/NOVA-K codes. A quasi-linear diffusion model is then used to assess the induced redistribution of energetic particles.

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

International Nuclear Information System (INIS)

Three classes of solar emanations, namely, photon radiation from solar flares, solar energetic particles, and inhomogeneities in the solar wind that drive magnetic storms, are examined, and their effects on humans and technological systems are discussed. Solar flares may disrupt radio communications in the HF and VLF ranges. Energetic particles pose a special hazard at low-earth orbit and above, where they can penetrate barriers such as spacesuits and aluminum and destroy cells and solid state electronics. Energetic solar particles also influence terrestrial radio waves propagating through polar regions. Magnetic storms may disturb the operation of navigation instruments, power lines and pipelines, and satellites; they give rise to ionospheric storms which affect radio communication at all latitudes. There is also a growing body of evidence that changes in the geomagnetic field affect biological systems. 3 refs.

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...

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The aim of this work is to the application of a methodology to evaluate the energy associated to the industrial solid wastes in the metropolitan region of Campinas. The methodological route proposed is: the characterization of the research area and the production/management of the industrial solid wastes; the energetic classification and the qualitative/quantitative research of the energy associated to the industrial solid wastes; and, the valuation of the applicability of the energetic utilization mechanisms proposed to the region. This methodology when applied at the Campinas metropolitan region proved to be valid and it resulted in a synthetically presentation of the social and environmental reality of the industrial sector and the destination of the wastes, as well as it indicated the potentialities related to the energetic utilization of the industrial solid waste in the region. With the obtained results it was shown ...

UK PubMed Central (United Kingdom)

Growth of the malolactic bacterium Leuconostoc oenos was improved with respect to both the specific growth rate and the biomass yield during the fermentation of glucose-malate mixtures as compared with...Full Text Available

UK PubMed Central (United Kingdom)

We calculate the expected fluxes of cosmic ray nuclei with charge 5 ≤ Z ≤ 28 at various depths in the earth's atmosphere, taking into account the initial charge distribution,...Full Text Available

International Nuclear Information System (INIS)

An earlier representation of the radial distribution of dose about the path of a heavy ion in liquid water is modified and extended to include silicon, lithium fluoride, and sodium iodide. 6 refs., 5 figs., 1 tab.

Science.gov (United States)

Mar 1, 2011 ... The movement of hydrothermal fluids and/or fumarolic vapors through local rocks prior ... The Solar Energetic Particle Event of December 14, 2006 .... for measurement of non-precipitating cloud hydrometeors and aerosols, ...

Science.gov (United States)

Intermetallic compounds are regarded as highly promising for applications as high temperature structural materials. However, recent studies have demonstrated that a number of ordered alloys exhibit environmental embrittlement when tested in various environments at ambient temperature. When exposed to hydrogen gas or electrolytically charged with hydrogen, a significant ductility loss has been reported. The reaction of water vapor with reactive elements in the crack tip results in the generation of atomic hydrogen which diffuses from the surface to the interior and causes embrittlement. In this paper, the authors try to analyze the sensitivity of hydrogen embrittlement of ordered alloys based upon energetical considerations.

British Library Electronic Table of Contents (United Kingdom)

Interactions between cationic dye-cationic surfactant and anionic dye-cationic surfactant systems were investigated in aqueous solutions using spectrophotometric method at 288.15, 298.15, 308.15 and 318.15K. C.I. Basic Red 9 (BR9) and C.I. Acid Blue 25 (AB25) were used as cationic and anionic dyes, respectively, and hexadecyltrimethylammonium bromide (HDTMABr) was selected as cationic surfactant in this study. Although there was an interaction between the AB25 and the HDTMABr molecules, an interaction between the BR9 and HDTMABr did not occur due to the electrostatic repulsion forces. Binding constants and partition coefficients between the micellar and the bulk water phases for the AB25-HDTMABr system were calculated from the changes in absorbance values and the critical micelle concentra...

CERN Document Server

We complete the effective potential calculation of the two-loop, top/bottom Yukawa corrections to the Higgs boson masses in the Minimal Supersymmetric Standard Model, by computing the O(at^2 + at*ab + ab^2) contributions for arbitrary values of the bottom Yukawa coupling. We also compute the corrections to the minimization conditions of the effective potential at the same perturbative order. Our results extend the existing O(at^2) calculation, and are relevant in regions of the parameter space corresponding to tan(beta) >> 1. We extend to the Yukawa corrections a convenient renormalization scheme, previously proposed for the O(ab*as) corrections, that avoids unphysically large threshold effects associated with the bottom mass and absorbs the bulk of the corrections into the one-loop expression. For large values of tan(beta), the new contributions can account for a variation of several GeV in the lightest Higgs boson ...

British Library Electronic Table of Contents (United Kingdom)

The main objective of this work was to investigate the biosorption performance of unmodified and Cetylpyridinium chloride (CPC)-modified biomass of Penicillium YW 01 for Acid Blue 25 (AB 25). Maximum biosorption capacity of AB 25 onto CPC-modified biosorbent was 118.48mgg^-^1 under phosphoric-phosphate buffer with initial dye concentration of 200mgL^-^1 at 30^oC. The biosorption pattern of AB 25 onto unmodified biosorbent in aqueous solution and phosphoric-phosphate buffer was well fitted with both Langmuir and Freundlich isotherm models. While the equilibrium data of CPC-modified biosorbent in aqueous solution and phosphoric-phosphate buffer failed to fit the Freundlich isotherm model, indicating the monolayer biosorption formed onto CPC-modified biosorbent. The values of initial biosorpt...

UK PubMed Central (United Kingdom)

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

Science.gov (United States)

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

UK PubMed Central (United Kingdom)

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

Energy Technology Data Exchange (ETDEWEB)

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

UK PubMed Central (United Kingdom)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The purpose of this study was to assess the energy flux and energetic balance related to the swine production and the recycling of residues generated by the system for utilization as organic fertilizers. The experiment was carried out at Vale dos Ipes Farm, located in the city of Ouro Verde do Oeste, in the Western of Parana State. One finishing phase swine unity containing 600 animals was monitored from January to June 2005. The treatment system is composed by one steel digester with capacity for 50 m{sup 3}, one sedimentation tank, one algae tank and one bio fertilizer storage tank. The swine barn cleaning is performed by dry scratching on a daily basis. The generated residues flow by gravitation through ducts towards the digester. The duration of the hydraulic retention period was 12 days. In the calculation of energetic efficiency, the energetic component ration is the greatest energetic cost in ...

Energy Technology Data Exchange (ETDEWEB)

The Cryocycling of Energetic Materials Project is sponsored by the Memorandum of Understanding (MOU) on advanced munition technologies. This MOU is an agreement between the Department of Energy and the Department of Defense (Office of Munitions) that facilitates the development of technologies of mutual interest to the two Departments. The cryocycling project is one of several that focus on demilitarization aspects of conventional weapons and weapon systems. During FY94 the project pursued the development of analytical and numerical models that can be used to describe and optimize the cryocycling process for preparing energetic materials for recycle and reuse. In addition, the demilitarization stockpile of the Department of Defense was analyzed to identify candidate munitions for the process, and pilot scale cryocycling operations were begun at an industrial contractor. When a material is cryocycled, it is repeatedly subjected to cycles of ...

Energy Technology Data Exchange (ETDEWEB)

Using EAS data from the EAS-EXC group (EAS plus hadronic calorimeter and nuclear emulsion-X chamber hybrid experiment) on Mount Chacaltaya during the 1990's the fractal properties of the energetic cosmic ray fluxes was investigated. A discrimination in the hadron content of the energetic primaries furnishes two different data samples, the total EAS fluxes and the hadron-less fluxes. The sidereal diurnal variation of the hadron-less EAS time variation shows values of 0.5% with a phase at about 2.29 hr sidereal time. With the help of the Crassberger Procaccia algorithm the fractal dimensions have been investigated of, on the one hand, the differences in arrival times of the hadron-less showers and on the other hand the EAS fluxes time series with an integration time of five min. The obtained fractal dimensions show inconclusive evidence of continuous chaotic component in the data samples investigated.

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.

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

British Library Electronic Table of Contents (United Kingdom)

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

International Nuclear Information System (INIS)

The FFTF is an ERDA facility which does not require licensing, but a technical review by NRC is required by ERDA policy. Safety issues which were not fully resolved in the course of the review for construction authorization have been the subject of continuing review since mid-1973. These issues included HCDA energetics, design fallback provisions for additional safety margins, piping integrity, and natural circulation core cooling.

International Nuclear Information System (INIS)

The author considers the extraction of the electromagnetic energy from a charged black hole through charged tachyons. The 'generalized ergosphere' relative to tachyons is defined. It turns out that it is possible to extract energy with 100% efficiency (through reversible process) if the charged source (whether black hole or otherwise) is of finite size. Two explicit examples of energy extraction are discussed. (Auth.).

Energy Technology Data Exchange (ETDEWEB)

A new reactor concept is described which would enable fission fragments to be continuously extracted from the reactor. Such a reactor has the potential of enabling extremely energetic and ambitious deep space missions. In this talk the basic physics issues involved in the operation of this type of reactor are outlined, and some possible applications to space exploration are described. 3 refs., 2 figs., 3 tabs.

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Geothermal heat pump systems necessitate a comprehensive approach to geology and building facilities in order to be energetically useful and efficient. Cooperation with geothermal experts should be sought at an early projecting stage in order to obtain reliable data. Geothermal data and the technical facilities of the building must be matched for the project to be both effective and efficient. (orig.)

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

International Nuclear Information System (INIS)

The rates of spontaneous interbilayer and transbilayer exchange of ["3H]dimyristoylphosphatidylcholine (["3H]DMPC) were examined in the DMPC and DMPC/dimyristoylphosphatidylethanolamine (DMPE) large unilamellar vesicles in the liquid-crystalline-, gel-, and mixed-phase states. DMPC desorption rates from either gel or liquid-crystalline phases containing DMPE are very similar to the corresponding rates from pure DMPC gel or liquid-crystalline phases. The authors proposed that the DMPC/DSPC behavior results from packing defects in gel phases composed of both DMPC and DSPC molecules because of the four-carbon difference in the acyl chain lengths of the two species. The present results strongly support this hypothesis because no such anomalous behavior is observed in DMPC/DMPE, which is similar to DMPC/DSPC in phase behavior but does not have the chain length difference. These results are not consistent with lipid headgroup dehydration as the major energetic barrier to ...

International Nuclear Information System (INIS)

We have performed molecular dynamics simulations of radiation damage in fused silica. In this study, we discuss the role of successive cascade overlap on the saturation and self-healing of oxygen vacancy defects in the amorphous fused silica network. Furthermore, we present findings on the topological changes in fused silica due to repeated energetic recoil atoms. These topological network modifications consistent with experimental Raman spectroscopic observation on neutron and ion irradiated fused silica are indicators of permanent densification that has also been observed experimentally.

International Nuclear Information System (INIS)

We have synthesized ozone by irradiating thin solid films of oxygen and oxygen-water mixtures with 100 keV protons, motivated by recent reports of condensed O_3 on icy satellites in the outer Solar system. We measured the depth of the Hartley absorption band in the ultraviolet by reflectance spectroscopy and used it to quantify the column density of ozone. We analyzed the results using a three-component (O, O_2 and O_3) model that successfully explains the fluence dependence of ozone production.

CERN Document Server

We discuss the advantages which the next generation interferometer SKA (the Square Kilometer Array) will bring for Very Long Baseline Interferometry (VLBI) at centimeter wavelengths. With a sensitivity to micro-Jy level flux density, a brightness temperature limit of about 10.000 K, and an expected dynamic range in future VLBI maps of better than 1.000.000, the impact of SKA on the research of compact extragalactic radio sources and their energetic jets will be very strong. We discuss some consequences, including a possible combination of SKA with future space VLBI missions.

Energy Technology Data Exchange (ETDEWEB)

We investigate, from a spacetime perspective, some aspects of Horowitz's recent conjecture that black strings may catalyze the decay of Kaluza-Klein spacetimes into a bubble of nothing. We identify classical configurations that interpolate between flat space and the bubble, and discuss the energetics of the transition. We investigate the effects of winding tachyons on the size and shape of the barrier and find no evidence at large compactification radius that tachyons enhance the tunneling rate. For the interesting radii, of order the string scale, the question is difficult to answer due to the failure of the {alpha}' expansion.

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It is possible to produce energetic beams of radioactive nuclei, as secondary beams, from the heavy-particle compound accelerator called BEVALAC. These beams can be focused into experimental areas without significant contamination using suitable magnetic filters and proper beam-optics. Properly selected high-energy beams of radioactive nuclei (those which defay by positron emission) can provide a truly unique opportunity to evaluate the effectiveness of these beams in localizing the Bragg peak on a tumor volume - necessary in heavy-particle therapy. Preliminary data are presented here to demonstrate the possible use of these beams in radiotherapy treatment-planning verification.

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During the past two decades, the explosives synthetic effort at Los Alamos has been directed toward energetic heterocylic compounds and has produced some useful thermally stable explosives. The recent evolution of crystal-density predictive methods is guiding our current efforts toward ultrahigh performance explosives. Much of our effort is now on the development of new methods for preparing unique nitro compounds that are inaccessible by conventional techniques. This paper reviews the Los Alamos synthetic program with emphasis on the development of novel thermally stable explosives, and current efforts to synthesize high-density/performance explosives will be discussed.

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The Balandin type volcano plots have been considered for the main criterion both in catalysis and electrocatalysis to estimate their fundamental properties and optimal activity: ({alpha}) The ones, when some physical feature or catalytic activity itself is plotted usually along transition series, and ({beta}) The others, when catalytic activity arises as a function of some energetic property, the most usually of the adsorption enthalpy of intermediates bonding upon the substrate in the rate determining step (rds). 29 refs.

Energy Technology Data Exchange (ETDEWEB)

The validity of the Big Bang theory is evaluated. The basis of the Big Band theory and the supercluster observations of Tully, which conflict with the Big Band theory, are discussed. Various explanations for the existence of supercluster observations are proposed. The cosmic background explorer (COBE) is being utilized to detect energetic processes. The COBE contains a far IR absolute spectrometer, a differential microwave radiometer, and a diffuse IR background experiment. The hypothesis of the evolution of the universe of Hannes Alfven, which emphasizes the importance of electricity and magnetism, is presented and research illustrating the importance of electric currents and magnetic fields in space is examined.

Energy Technology Data Exchange (ETDEWEB)

The proposed short wavelength coherent light source driven by the SLAC 3 km linac might be used to induce transitions between nuclear isomeric states. If an isotope were found with energetically adjacent isomeric states, one short-lived and one long-lived, and it were possible to separate and concentrate the long-lived species, and other nuclear and solid-state parameters were favorable, it might be possible to convert sufficient population to the short-lived state to realize {gamma}-ray lasing. Even if the x-ray intensity were insufficient, study of such driven transitions would be quite valuable.

Energy Technology Data Exchange (ETDEWEB)

With the advance of science, rise of public interest in environmental matters, and continuing erosion of air quality, Federal and state regulators are demanding an increasing complex array of data concerning emissions produced by burning and detonating energetic materials. The US Department of Defense, one of the world`s largest consumers of energetic materials, now must characterize combustion products resulting from open burning/open detonation disposal operations. The catch-all phrase ``below detection limits`` no longer satisfies the regulators who now want testing to delve into the ppt level for volatile organic compounds and ppt level for semivolatile organic compounds. Regulators are also expanding their scope of interest and may soon be asking for emissions data on training operations such as artillery firing. Providing this type of information is no longer an impossibility. The Army, as the single manager of conventional munitions for ...

Science.gov (United States)

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

CERN Document Server

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

Science.gov (United States)

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

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Partial oxidation of 2-propanol was carried out on AB{sub 1-x}B`{sub x}O{sub 3} (A=Ba, B=Pb, Ce, Ti; B`=Bi, Sb and Cu) type perovskite oxides. Acetone was the major product observed on all the catalysts. All the catalysts underwent partial reduction during the reaction depending on the composition of the reactant, nature of the B site cation and the extent of substitution at B site. The catalytic activity has been correlated with the reducibility of the perovskite oxides determined from Temperature Programmed Reduction (TPR) studies. (orig.)

CERN Document Server

We review an analysis of a consistent renormalization of the top and bottom quark/squark sector of the MSSM with complex parameters (cMSSM). Various renormalization schemes are defined, analyzed analytically and tested numerically in the decays Stop_2 -> Sbottom_i H^+/W^+ (i = 1,2). No scheme is found that produces numerically acceptable results over all the cMSSM parameter space, where problems occur mostly already for real parameters. Some numerical examples for Gamma(Stop_2 -> Sbottom_1 H^+) in our preferred scheme, "m_b, A_b DRbar" are shown.

CERN Document Server

In this note, we derive from Anstee's fractional $(g,f)$-factor theorem a similar characterization for the property of all fractional $(g,f)$-factors. Let $a$ be two positive integers and $G$ a graph of order $n$ sufficiently large for $a$ and $b$. Then G has all fractional $[a, b]$-factors if the minimum degree is at least $\\delta(G)\\geq \\frac{1}{4a}((a+b-1)^2+4b)$ and every pair of non-adjacent vertices has cardinality of the neighborhood union at least $bn/(a + b)$. This lower bounds are sharp.

International Nuclear Information System (INIS)

Molar excess volumes, VE and molar excess enthalpies, HE of 1,3-dioxolane (D) (i) + propan-1-ol, 1,3-dioxolane (i) + butan-1-ol and 1,3-dioxolane (i) + butan-2-ol (j) binary mixtures have been measured as a function of composition at 308.15 K. The analysis of VE data by graph, theoretical approach reveals that while propan-1-ol, butan-1-ol exist as associated entities in the pure state; 1,3-dioxolane and butanol exist as monomers in their pure state. These (i+j) binary mixtures are characterized by interactions between ethereal oxygen atom of D(i) and hydrogen atom of alkanols. The IR studies lend additional support to the proposed structure of molecular entitles in these mixtures. The energetics of the mixtures have also been studied.

International Nuclear Information System (INIS)

High-resolution observations are presented of the 300-kpc jet in the giant radio galaxy NGC 6251. The width of the jet is resolved over most of its length, and the axis of the jet wiggles with an amplitude increasing linearly with distance from the nucleus. Polarization data are used to derive densities of cold matter in the jet and, from the argument that the jet must form the lobe in a time equal to the age of the lobe, the speed of the jet is estimated as c/20. The energetics of the jet are then dominated by the bulk flow along it of cold matter at a rate of 1 solar mass yr"-"1. The jet appears to be confined; the wiggle of its axis is probably due to oscillations of the direction of the collimator with a period of about 6 x 10"6 yr. (author).

Energy Technology Data Exchange (ETDEWEB)

The synthesis and properties of various 1,2,4,5-tetrazine explosives and energetic materials are described. These are the nitrate and perchlorate salts of 3,6-diguanidino-1,2,4,5-tetrazine, the nitrate and perchlorate salts of 3,6-diguanidino-1,2,4,5-tetrazine-1,4-di-N-oxide, 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine and its 1,4-di-N-oxide derivative, 3,3'-azobis(6-amino-1,2,4,5-tetrazine) and its oxidation products. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

British Library Electronic Table of Contents (United Kingdom)

This study emphasizes the need for a systematic and in-depth connection between the progress in quantum theory of energetic ion collisions and applications to hadron therapy. Scattering theory for fast ion beams has reached its stage of development where accurate and robustly applicable methodologies can advantageously be exported to applied fields such as space research, fusion energy program, medicine, etc. In particular, distorted wave collision theories at high energies readily provide total, partial and fully differential cross sections for inelastic collisions of ionic projectiles with any target system. By numerous and thorough testings, such theoretical cross sections were found to exhibit excellent agreement with experimental data on atomic targets. Adequate extensions of these me...

International Nuclear Information System (INIS)

Macroparticle acceleration driven by low current, high voltage cathode spots has been investigated for potential applications ranging from micrometeoroid simulation to nanoparticle deposition/implantation. Acceleration by this process was observed to occur when nanometer and micrometer-sized particles were exposed to a high voltage pulse in the presence of a plasma discharge. The applied negative voltage pulse initiates the formation of multiple, high voltage, low current cathode spots which provide the mechanism of actual acceleration of the charged dust particles. Dust streams generated by this process were detected using laser scattering techniques. Cathode spot behavior was also documented. The particle impact craters observed at the surface of downstream witness badges were documented using scanning electron microscopy and light microscopy. The observed impacts suggest the presence of energetic macroparticles formed during this process.

Energy Technology Data Exchange (ETDEWEB)

A new class of low aspect ratio toroidal hybrid stellarators is found using more general plasma confinement optimization criterion than quasi-symmetrization. The plasma current profile and shape of the outer magnetic flux surface are used as control variables to achieve near constancy of the longitudinal invariant J* on internal flux surfaces (quasi-omnigeneity), in addition to a number of other desirable physics target properties. We find that a range of compact (small aspect ratio A), high {beta} (ratio of thermal energy to magnetic field energy), low plasma current devices exist which have significantly improved confinement both for thermal as well as energetic (collisionless) particle components. With reasonable increases in magnetic field and geometric size, such devices can also be scaled to confine 3.5 MeV alpha particle orbits.

British Library Electronic Table of Contents (United Kingdom)

In this Letter, we present Quantum Mechanics/Molecular Mechanics (QM/MM) calculations on molecules containing a 2-deoxycytidine-3prime-monophosphate moiety (3prime-dCMPH). In particular, we examine the effect that including neighbouring nucleotides at the Molecular Mechanic (MM) level has on the calculated electron affinities and on the energetic barriers of the C3prime-O3prime bond cleavage. Our results demonstrate that the surrounding nucleotides relocate the excess electron from the p* orbital of the base to a diffuse phosphate-centred orbital, leading to the formation of a dipole-bound anion state. Both the electron affinities and the activation energy of C3prime-O3prime bond cleavage are strongly increased.

British Library Electronic Table of Contents (United Kingdom)

ABSTRACT. Flight-song displays usually include distinctive vocalizations and behaviors that are probably energetically expensive and also likely to attract the attention of aerial predators. We observed flight songs performed by Dusky Flycatchers (Empidonax oberholseri) in two breeding populations. During 15 yr at Tioga Pass, California, we observed the display twice and, during 9 yr at Steamboat Mountain, British Columbia, we observed 21 flight-song displays. These displays were generally observed later in the breeding season, suggesting that they were not used for courtship, mate attraction, or territory defense. However, for 83% of these displays, a raptor was observed to be present, usually either an American Kestrel (Falco sparverius) or a Sharp-shinned Hawk (Accipiter striatus). We h...

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The alpha-particle confinement of future D-T experiments at JET can be severely degraded by Global Alfven Eigenmodes (AE). Scenarios for the excitation of Alfven Eigenmodes in usual (e.g. D-D) plasmas are proposed, which provide a MHD diagnostic and allow the study of the transport of super-Alfvenic ions. Active studies with separate control of TAE amplitude and energetic particle destabilization, measuring the plasma response, give more information than passive studies, in particular concerning the damping mechanisms. The TAE excitation can be achieved by means of the saddle coil and the ICRH antenna. The experimental method is introduced together with a theoretical model for RF excitation. (authors). 6 refs., 3 figs.

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The mass asymmetry of fragments from nuclear fission of heavy nuclei is reviewed. While mass asymmetry is a common and well-known phenomenon for low-energy fission of the lighter actinides, more recent experiments have demonstrated that, for the heaviest actinides, the mass distribution switches to a symmetric one. On the other hand, it has been discovered that, though for fissioning nuclei with mass numbers A< or [approx]225 the mass distribution is basically symmetric, an asymmetric component is clearly to be identified for nuclei down to the Pb-region. In the absence of a generally accepted dynamical theory of fission, the above experimental findings are discussed in terms of static energy considerations. Triggered from the outset by the structure of the potential energy surface at the saddlepoint, the energy balance at the scission point between the available energy (Q-value) of the reaction and the Coulomb and deformation energy of the nascent fragments is shown to steer the ...

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The trend toward smaller dimensions in integrated circuit technology presents severe physical and engineering challenges for ion implantation. These challenges, together with the need for physically-based models at exceedingly small dimensions, are leading to a new level of understanding of fundamental defect science in silicon. Recently the DOE Council on Materials requested that our panel examine the current status and future research opportunities in the area of ion beams in semiconductor processing. Particularly interesting are the emerging approaches to defect and dopant distribution modeling, transient enhanced diffusion, high energy implantation and defect accumulation, and metal impurity gettering. These topics were explored both from the perspective of emerging science issues and technology challenges.

International Nuclear Information System (INIS)

The diagnostic designs for the Laser Megajoule (LMJ) will require components to operate in environments far more severe than those encountered in present facilities. This harsh environment will be induced by fluxes of neutrons, gamma rays, energetic ions, electromagnetic radiations, and, in some cases, debris and shrapnel, at levels several orders of magnitude higher than those experienced today on existing facilities. The lessons learned about the vulnerabilities of present diagnostic parts fielded mainly on OMEGA for many years, have been very useful guide for the design of future LMJ diagnostics. The present and future LMJ diagnostic designs including this vulnerability approach and their main mitigation techniques will be presented together with the main characteristics of the LMJ facility that provide for diagnostic protection.

British Library Electronic Table of Contents (United Kingdom)

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

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Investigations have been conducted to determine the feasibility of using collisional cooling for reducing the energy spreads and, consequently, the emittances of negative-ion beams. We have designed a gas-filled RF-quadrupole ion cooler equipped with provisions for retarding energetic negative ion beams to energies below thresholds for electron detachment at injection and for re-acceleration to high energies after the cooling process. The device has been used to cool O{sup -} and F{sup -} ion beams with initial energy spreads, {Delta}E > 10 eV to final energy spreads, {Delta}E {approx} 2 eV FWHM. Overall transmission efficiencies of {approx}14% for F{sup -} beams have been obtained. Experimental results show that electron detachment is the major loss mechanism for negative ions.

International Nuclear Information System (INIS)

We study the characteristics of cyclotron wave-particle interaction in a typical hydrogen plasma. The numerical calculations of minimum resonant energy Emin, resonant wave frequency ?, and pitch angle diffusion coefficient D?? for interactions between R-mode/L-mode and electrons/protons are presented. It is found that Emin decreases with ? for R-mode/electron, L-mode/proton and L-mode/electron interactions, but increase with ? for R-mode/proton interaction. It is shown that both R-mode and L-mode waves can efficiently scatter energetic (10 keV-100 keV) electrons and protons and cause precipitation loss at L=4, indicating that perhaps wave-particle interaction is a serious candidate for the ring current decay. (authors)

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We review our recent work on an atomistic approach to the development of predictive process simulation tools. First principles methods, molecular dynamics simulations, and experimental results are used to construct a database of defect and dopant energetics in Si. This is used as input for kinetic Monte Carlo simulations. C and B trapping of the Si self- interstitial is shown to help explain the enormous disparity in its measured diffusivity. Excellent agreement is found between experiments and simulations of transient enhanced diffusion following 20-80 keV B implants into Si, and with those of 50 keV Si implants into complex B-doped structures. Our simulations predict novel behavior of the time evolution of the electrically active B fraction during annealing.

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A new principle of particle trapping in the simple spherical cavity using both electric and magnetic components of radiofrequency electromagnetic field is proposed. The electric component of H {sub 12} oscillating mode drives the fast particle oscillations, while the magnetic component synchronously bends the trajectories to the cavity center. A specially developed theory of particle stability predicts dense and energetic electron cluster in the trap. Numerical simulations of particle dynamics in the complete electromagnetic field taking into account both space charge and particle-induced magnetic field are in good agreement with the analytic results, giving a density of 2.6*10{sup 1} electrons/cm{sup 3} and an average kinetic energy of around 30 keV at an operating frequency of 3 GHz. Being used at lower frequency, spherical cavity can trap protons and heavier ions too, but with lower density and kinetic energy.

Science.gov (United States)

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

British Library Electronic Table of Contents (United Kingdom)

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

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

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

British Library Electronic Table of Contents (United Kingdom)

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

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

British Library Electronic Table of Contents (United Kingdom)

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

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

Energy Technology Data Exchange (ETDEWEB)

Alter both oil crisis, of 1973 and 1979, a bad effect of the elevated costs and continuously increment of the oil prices was noted, for this reason, the interest for renewable energies sources widely available in developing countries was increased. All over the world, governments have formulated main objectives for energies savings and search for friendly technologies, taking into account the effects related with the environment. The imminent scarcity of fossil fuels has made humanity the rational use of primary energies, as a result of these; new plants with improved technology have been conceived taking into account energy savings and efficiency improvement. In this context, biomass gasification technologies are important, since they consist in techniques of parallel production of electricity and heat from just one fuel. This work consists in the development of a gasifier down draft of 100 kW for an internal combustion engine, which includes its sizing process and its energy ...

International Nuclear Information System (INIS)

The first-principles energetics of the constituent elements Ca and Mg and the Mg_2Ca C14 laves phase (C14) in the Ca-Mg binary system were used in the computational thermodynamic modeling, with models for the Gibbs energy of individual phases. C14 was modeled as (Ca,Mg)_2(Ca,Mg)_1 with four end-members. The first-principles calculations were performed using two computer codes: (i) WIEN2K based on the full-potential linearized augmented plane-wave (FLAPW) method and (ii) VASP based on the pseudo-potentials and a plane wave basis set. The total energies of the pure Ca and Mg in the fcc, bcc, and hcp structures, three laves phase structures of Mg_2Ca, and the four end-members of C14 were calculated at 0 K. The enthalpies of formation of the four end-members were obtained accordingly and used as input data in evaluating the Gibbs energy functions of C14. The entropy contribution in the Gibbs energy function for C14 was obtained through its liquidus data. Special ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

Science.gov (United States)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

There is a growing interest in using {sup 242m}Am as a nuclear fuel. The advantages of {sup 242m}Am as a nuclear fuel derive from the fact that {sup 242m}Am has the highest thermal fission cross section. The thermal capture cross section is relatively low and the number of neutrons per thermal fission is high. These nuclear properties make it possible to obtain nuclear criticality with ultra-thin fuel elements. The possibility of having ultra-thin fuel elements enables the use of these fission products directly, without the necessity of converting their energy to heat, as is done in conventional reactors. There are three options of using such highly energetic and highly ionized fission products. - Using the fission products themselves for ionic propulsion. - Using the fission products in an MHD generator, in order to obtain electricity directly. - Using the fission products to heat a gas up to a high temperature for propulsion purposes. In this work, we are not ...

International Nuclear Information System (INIS)

The crystallite size and orientation in molybdenum films prepared by magnetron sputtering at a low rate of typical 1 (angstrom)s and a pressure of 0.45 Pa was investigated by X-ray diffraction and texture analysis. The surface topography was studied using atomic force microscopy. Increasing the film thickness from 20 nm to 3 microm, the films show a turnover from a (110) fiber texture to a (211) mosaic-like texture. In the early state of growth (20 nm thickness) the development of dome-like structures on the surface is observed. The number of these structures increases with film thickness, whereas their size is weakly influenced. The effect of texture turnover is reduced by increasing the deposition rate by a factor of six, and it is absent for samples mounted above the center of the magnetron source. The effect of texture turnover is related to the bombardment of the films with high energetic argon neutrals resulting from backscattering at the target under oblique ...

Energy Technology Data Exchange (ETDEWEB)

The Flory model is applied to predict the isobaric expansion coefficients, {alpha}{sub P}, isentropic, {kappa}{sub S}, and isothermal, {kappa}{sub T}, compressibilities and speeds of sound, u, of the highly complex mixtures: hydroxyether + alkane, + dibutylether, + 1-butanol or + 2-methoxyethanol, 1-alkanol + alkane, and 1-alkanol + dibutylether. Predictions were obtained using the energetic parameter, {chi}{sub 12}, determined from values of excess enthalpies, H{sup E}, and from values of the excess isochoric internal energies, U{sub V}{sup E}, at equimolar composition. No meaningful differences exist between such predictions. Deviations between experimental and calculated values are lower than 2% for mixtures containing alkoxyethanols. Poorer results are obtained for 1-alkanol + dibutylether mixtures with deviations up to 5%. It is shown that predictions on {alpha}{sub P}, {kappa}{sub S}, {kappa}{sub T}, and u essentially depend on structural effects and not on ...

British Library Electronic Table of Contents (United Kingdom)

We present a forward modelling technique for calculating the surface X-ray spectra for a variety of lunar terrains. Our calculations considered variations in solar fluxes from solar quiescent condition to large flare activity (M1 flare), and expected elemental concentrations in the target, as well as yield, instrumental, and viewing geometry parameters for X-ray induced fluorescence from the lunar surface. Additionally, we present estimates of anticipated XRF signals from prominent Ka lines observable by a collimated 14cm2 X-ray detector from a 100km lunar orbit with 20km spatial resolution. Our results show that Mg, Al and Si characteristic Ka lines can be observed for all solar conditions. The Ca Ka lines line can be differentiated from a fixed background during more energetic solar cond...

International Nuclear Information System (INIS)

The energy spectra of energetic confined alpha particles are being measured using the pellet charge exchange method [R. K. Fisher, J. S. Leffler, A. M. Howald, and P. B. Parks, Fusion Technol. 13, 536 (1988)]. The technique uses the dense ablation cloud surrounding an injected impurity pellet to neutralize a fraction of the incident alpha particles, allowing them to escape from the plasma where their energy spectrum can be measured using a neutral particle analyzer. The signal calculations given in the above-mentioned reference disregarded the effects of the alpha particles' helical Larmor orbits, which causes the alphas to make multiple passes through the cloud. Other effects such as electron ionization by plasma and ablation cloud electrons and the effect of the charge state composition of the cloud, were also neglected. This report considers these issues, reformulates the signal level calculation, and uses a Monte-Carlo approach to calculate the neutralization ...

British Library Electronic Table of Contents (United Kingdom)

Copper(II) complex coordinated with cyclam-type macrocyclic tetramine, C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane (2Cdmc) has been synthesized and characterized by single crystal X-ray crystallographic analysis and UV?Vis absorption spectra. Solved molecular structure of [Cu(2Cdmc)(H2O)]Cl2?2H2O (1) revealed that macrocyclic ligand 2Cdmc was in the most stable trans-III structure, but the C-methyl groups of 2Cdmc adopted energetically unfavorable axial configuration (C-axial). This complex 1 is the second example of complex of cyclam-type tetramine with only axially oriented C-methyl groups. This complex adopted five-coordinated square-pyramidal geometry with one water molecule occupying one of the two apical sites. Network of hydrogen bonds involving counter anions (Cl?...

Energy Technology Data Exchange (ETDEWEB)

The contribution outlines the current status of the building construction projects for the German Bundestag in Berlin. The following subjects are discussed: Energetic quality of the building, energy supply concept, integrated energy supply system, electric CHP systems, cogeneration (vegetable oil), aquifer storage (heat storage, cold storage), solar energy (photovoltaic energy conversion, thermal solar energy use), economic and ecological aspects. (HW) [Deutsch] Der vorliegende Beitrag gibt einen Ueberblick ueber den aktuellen Stand des Bauvorhabens des Deutschen Bundestages in Berlin. In diesem Zusammenhang wird auf folgende Themen eingegangen: Energetische Gebaeudequalitaet, Energieversorgungskonzept, Energieverbund, stromgefuehrte BHKWs, Kraft-Waerme-Kopplung (Pflanzenoel), Aquiferspeicher (Waermespeicher, Kaeltespeicher), Sonnenergienutzung (Photovoltaik, thermische Solarenergienutzung), Wirtschaftlichkeit und Oekologie. (HW)

Energy Technology Data Exchange (ETDEWEB)

When oxygen is limiting, animals can ferment glucose via several metabolic pathways varying in energetic efficiency and leading to various end products (such as lactate, succinate, or propionate). Because the pH dependence of H/sup +/ production by fermentation is opposite to that by hydrolysis of adenosine triphosphate formed in the fermentation, the total number of moles of protons generated is always two per mole of fermentable substrate. However, two and three times more adenosine triphosphate can be turned over per mole of protons produced in succinate and propionate fermentations, respectively, than in lactate fermentation. At its limit, this advantage would achieve the same balance between H/sup +/ production and H/sup +/ consumption during ATP cycling that is observed in aerobic metabolism, a situation observed in certain alcohol fermentations. Since proton balance during anaerobiosis is clearly adaptable, we consider possible impact and functions of net ...

Energy Technology Data Exchange (ETDEWEB)

One- and two-dimensional long-period superstructures (LPS), based on the L1{sub 2} substructure, are systematically investigated for the noble metal-palladium alloys Cu-Pd, Ag-Pd and Au-Pd with first-principles methods. Notwithstanding the fact that the experimental phase diagrams of these systems yield totally different features, quite similar behaviour with respect to formation of low temperature ordered LPS-phases (Cu{sub 3}Pd: LPS 3, Ag{sub 3}Pd: LPS 3, Au{sub 3}Pd: LPS 2; {l_brace}Cu, Au{r_brace}Pd{sub 3}: L1{sub 2}, AgPd{sub 3}: not a ground state) is predicted. As a lever between via LDA obtained formation enthalpies and a thorough ground state scan, the cluster expansion method in conjunction with a genetic algorithm provides adequate means for the extraction of effective interactions, which also allow for an enhanced ground state scan in the configurational space of LPS structures. As a result, the sequences and energetical hierarchies for stable LPSs in ...

International Nuclear Information System (INIS)

A series of experimental measurements of ozone concentration produced by irradiation of noble gas (He, Ne, and Ar)-O_2 and noble gas-O_2- SF_6 mixtures with energetic (MeV) helium and lithium ions are reported. Continuous irradiations at dose rates of 10"1"5-10"1"7 eV cm"-"3 S"-"1 for a few hundred milliseconds were used. The resulting ozone concentration was found to be nonlinear with dose rate for a given irradiation time. This nonlinearity was effectively reduced by an increase in noble gas pressure. Few mole percent addition of SF_6 generally resulted in an increase in the ozone concentration. This increase was highest for lower noble gas pressures and longer irradiation times. Further SF_6 addition, however, caused a reduction in the ozone concentration. Results are explained by considering the relevant reactions responsible for ozone production and loss.

Energy Technology Data Exchange (ETDEWEB)

Meltdown and gasification of waste in an oxygen atmosphere ('2sv' process) is an economically efficient alternative to energetic and thermal utilisation of biomass. Organic pollutants are split at temperatures up to 2000 C in a reducing atmosphere. The process uses elements of the oxygen cupola furnace for melting and gasification of many different waste fractions, e.g. polluted waste wood, household refuse and bulk waste, old tyres, light shredder fractions, sewage sludge, etc. [German] Die Sauerstoff-Schmelz-Vergasung ('2sv') stellt eine wirtschaftliche Alternative zur energetischen Nutzung von Biomassen wie auch zur thermischen Abfallverwertung dar. Organische Schadstoffe werden bei diesem neuen Verfahren bei Temperaturen bis zu 2000 C unter reduzierenden Bedingungen aufgespalten. Das Verfahren nutzt Elemente des Sauerstoff-Kupolofens fuer die Schmelzvergasung und eignet sich fuer zahlreiche Abfallarten wie z.B. belastetes ...

International Nuclear Information System (INIS)

In a vacuum insulator, the narrow electron beam emitted from the cathode impinges on the anode and raises its temperature and also may produce high thermal stress. This high thermal stress, in conjuction with the surface electrostatic pressure may rupture the surface and detach particles from it. In this thesis, the interaction of high energy electron and laser beams with metals and semiconductors is investigated. The differential equations governing the physical processes involved in the interaction are solved by the finite element method. Effects of beam penetration into the material, variable beam reflectance at the surface, finite beam size and dependence of material properties on temperature are accounted for. The two-phase moving boundary problem, also known as the Stefan problem, is solved by an enthalpy formulation of the heat equation. Material deformation by thermal stresses caused by high temperature gradients and electrostatic forces induced by space charges or externally ...

Energy Technology Data Exchange (ETDEWEB)

For many years, {beta} radioactivity has been used to label molecules and follow them in various biological processes. {beta} imaging is obtained by autoradiography. Classically made on films or on photographic emulsions, autoradiography is now supplanted by radio-imagers which are very performing. The phosphor-imager, {beta}-imager and {mu}-imager are the systems mainly used today and their operating principles and properties are compared. The great advantages of these imagers are: their rapidity to obtain results and their reliability for absolute quantification. All emitters ({beta}{sup -}, {beta}{sup -} -{gamma} and {beta}{sup +}) are detectable as well as the gamma emitters of nuclear medicine, by means of their low energy electrons ejected during y emission. Phosphor-imager is well suited to energetic tracers and large series of experiments. Real time radio-imagers ({beta}-imager and {mu}-imager) are preferred to verify experimental conditions. The ...

Energy Technology Data Exchange (ETDEWEB)

A linear induction accelerator that produces a beam of energetic heavy ions (T -- 10 GeV, A -- 200 amu) is a prime candidate as a driver for an inertial fusion power plant. Some early perceptions were that heavy-ion drive fusion would not be cost-competitive with other power sources because of the high cost of the accelerators. However, improved understanding of the physics of heavy-ion transport and acceleration (supported by experimental results), combined with advances in accelerator technology, have resulted in accelerator design costs -- 50% of previous estimates. As a result, heavy-ion drive fusion power plants are now projected to be cost-competitive with other conceptual fusion power plants. A brief formulation of transport and acceleration physics is presented here, along with a description of the induction Linac cost optimization code LIACEP. Cost trends are presented and discussed, along with specific cost estimates for several accelerator designs ...

Energy Technology Data Exchange (ETDEWEB)

A field survey on cadmium, lead, copper, and zinc was performed in Semarang, the fifth largest city in Indonesia. Water, sediment, and fish samples were collected from 101 grids of 2 x 2 km. The objectives of the study were (1) to identify the spatial distribution of metals in the sediments of the greater Semarang area, (2) to estimate the background concentrations of the metals present in Semarang, (3) to provide a simple tool for deriving standards for metals in the sediment, and (4) to explore the potential use of the guppy (Lebistes reticulatus) as a bioindicator of urban metal pollution. To map the spatial distribution of the metals, concentrations of each metal in sediment were plotted against the corresponding city coordinate. On the basis of these plots, background concentrations of the metals were estimated. A combined pollution index can be derived thereafter by calculating the difference between metals concentrations from a particular grid and their respective background ...

CERN Document Server

If the first (PopIII) stars were very massive, their final fate is to collapse into very massive black holes. Once a proto-black hole has formed into the stellar core, accretion continues through a disk. It is widely accepted, although not confirmed, that magnetic fields drive an energetic jet which produces a burst of TeV neutrinos by photon-meson interaction, and eventually breaks out of the stellar envelope appearing as a Gamma Ray Burst (GRB). Based on recent numerical simulations and neutrino emission models, we predict the expected neutrino diffuse flux from these PopIII GRBs and compare it with the capabilities of present and planned detectors as AMANDA and IceCube. If beamed into 1% of the sky, we find that the rate of PopIII GRBs is $\\le 4 \\times 10^6$ yr$^{-1}$. High energy neutrinos from PopIII GRBs could dominate the overall flux in two energy bands [$10^4 - 10^5$] GeV and [$10^5 - 10^6$] GeV of neutrino telescopes. The enhanced sensitivities of ...

International Nuclear Information System (INIS)

A series of experimental measurements of the yield of O_3 in nuclear-induced O_2 and O_2-SF_6 discharges are reported. The discharges were created by bombardment with energetic particles from the "1"0B(n,#alpha#)"7Li reaction. Continuous irradiation at dose rates of 10"1"5--10"1"7 eV cm"-"3 s"-"1 and pulsed irradiation (--10 ms FWHM) at a peak dose rate of --10"2"0 eV cm"-"3 s"-"1 were conducted. At the lower dose rates, the addition of SF_6 generally increased the ozone yield due to the slowing of ozone destruction by negative oxygen and ozone ions. In contrast, at the high dose rates, the ozone concentration decreased due to SF_6 suppression of atomic oxygen formation by ion--ion recombination. A numerical model was developed and tested against experimental conditions. This model indicates that the steady-state ozone concentration was limited by the reaction O"-_3+O_3#->#2O_2+O"-_2 with a rate coefficient of --1 x 10"-"1"2 cm"3 s"-"1. In addition to dose rate ...

Energy Technology Data Exchange (ETDEWEB)

The peak flux relationship between hard X-rays and microwaves from solar flares is studied using about 400 events simultaneously recorded with the hard X-ray burst spectrometer on the SMM satellite and the Nobeyama 17 GHz radiometer. The data indicate that the hard X-ray and microwave peak fluxes correlate best for X-ray energies of less than about 80 keV for impulsive flares and greater than about 360 keV for extended flares. By postulating that electrons responsible for microwave emission at 17 GHz are those emitting hard X-rays at these photon energies, it is concluded that: (1) in impulsive flares, microwaves at about 20 GHz are emitted mainly by electrons of less than about 200 keV from a layer through which the electrons stream down into the thick-target hard X-ray source; and (2) in extended flares, microwaves are emitted mainly by MeV electrons trapped in a coronal loop or loops. 59 references.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Managing sites contaminated with munitions constituents is an international challenge. Although the choice of approach and the use of Ecological Risk Assessment (ERA) tools may vary from country to country, the assurance of quality and the direction of ecotoxicological research are universally recognized as shared concerns. Drawing on a multidisciplinary team of contributors, 'Ecotoxicology of Explosives' provides comprehensive and critical reviews available to date on fate, transport, and effects of explosives. The book delineates the state of the science of the ecotoxicology of explosives, past, present, and recently developed. It reviews the accessible fate and ecotoxicological data for energetic materials (EMs) and the methods for their development. The chapters characterize the fate of explosives in the environment, then provide information on their ecological effects in key environmental media, including aquatic, sedimentary, and terrestrial ...

Energy Technology Data Exchange (ETDEWEB)

Theoretical and experimental studies have been carried out on the combustion of azide polymers used as a binder in high-energy propellants. AMMO (3-azidemethyl-3`-methyloxetane) is one of the energetic azide polymers which contain N3 groups in their molecular structures. EDNA (ethylenedinitramine) is a linear nitramine which has modest properties in the flame temperature and the molecular weight of burned gases as compared with HMX (cyclotetramethylenetetranitramine) and NQ (nitroguanidine). In this study, the burning rate characteristics of azide/nitramine propellants were investigated in order to gain a wide spectrum of burning rate. As a result, the burning rate of AMMO/EDNA propellant is higher than that of AMMO/HMX propellant and the pressure exponent of AMMO/EDNA propellant is lower than that of AMMO/HMX propellant. Both AMMO/EDNA and AMMO/HMX propellants exhibited the same combustion wave structure as inert polymer/nitramine propellants. The burning surface ...

International Nuclear Information System (INIS)

The opportunity of exposure to high-energy radiation up to GeV is increasing as in civilian aircrafts and at particle accelerators. The transport of such energetic particle is still difficult to describe precisely and thus verification by measurement using a well characterized instrument is indispensable for reliable dosimetry. However, no reference calibration field has been established for the high-energy range. We thus propose to use a facility at the summit of Mt. Fuji (3776 m in altitude; N35.36o, E138.73o), the highest place in Japan, for characterization of radiation instruments that are possibly used in high-energy radiation fields. For demonstration of the effectiveness, two moderator-type neutron monitors (NCN1 and WENDI-II) having different energy response functions were employed for cosmic-ray neutron measurements in the summer of 2009. In comparison with numerically simulated values, it was found that the extended energy neutron monitor (WENDI-II) has ...

Energy Technology Data Exchange (ETDEWEB)

The influence of low-level microwaves (2.45 GHz, CW, 2 and 5 mW.cm/sup -2/) was studied on various models of previsional animal psychopharmacology involving tests of motor activity, stereotypy, convulsions and hypothermia after a standard 30 min irradiation. The results obtained on 933 rodents allow to conclude that: (1) there is no interaction between microwaves and the studied convulsants and stimulants; (2) there is a possibility of potentialization of the behavioral effects of a tranquilizer; (3) there is a thermogenic effect of microwaves; (4) there is no change of the blood-brain barrier permeability. The demonstration of a thermal effect of microwaves during radiations lower than 10 mW.cm/sup -2/ the safety threshold admitted presently (a value below which the exposure duration comes under regulation) could explain the energetic nature of certain effects of microwaves up-to-now described as non-thermal.

Energy Technology Data Exchange (ETDEWEB)

Modern combined cycle power plants with natural gas as the only fuel reach efficiencies of up to 55% for electric power generation. Nevertheless the reserve of natural gas is more limited compared to the reserve of coal. Therefore possibilities should be investigated to use coal for such plants also. One concept, that combines the use of coal in a combined cycle application with high efficiencies is examined in this paper. According to this concept the exhaust gas of the gas turbine (vitiated air) is the combustion air for the pulverized coal combustion, that takes place in the bottoming steam generator. Due to the low oxygen content of the vitiated air the burnout of the coal may be incomplete. In order to avoid the incomplete combustion of the coal and the resulting decrease of the efficiency of the plant and possible emission problems, a catalyst, that converts carbon monoxide and unburnt carbon to carbon dioxide, shall be installed between the heating surfaces of the boiler. The ...

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 ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

The Institute of Energetic and Nuclear Research - IPEN is a research and development institution, located in a densely populated area, in the city of Sao Paulo. The nuclear fuel cycle was developed from the Yellow Cake to the enrichment and reconversion at IPEN. After this phase, all the technology was transferred to private enterprises and to the Brazilian Navy (CTM/SP). Some plants of the fuel cycle were at semi-industrial level, with a production over 20 kg/h. As a research institute, IPEN accomplished its function of the fuel cycle, developing and transferring technology. With the necessity of space for the implementation of new projects, the uranium hexafluoride (UF{sub 6}) production plant was chosen, since it had been idle for many years and presented potential leaking risks, which could cause environmental aggression and serious accidents. This plant decommission required accurate planning, as this work had not been carried out in Brazil before, for this ...

Energy Technology Data Exchange (ETDEWEB)

OAK B188 The goal of this project is to mimic the energy transduction processes by which photosynthetic organisms harvest sunlight and convert it to forms of energy that are more easily used and stored. The results may lead to new technologies for solar energy harvesting based on the natural photosynthetic process. They may also enrich our understanding and control of photosynthesis in living organisms, and lead to methods for increasing natural biomass production, carbon dioxide removal, and oxygen generation. In our work to date, we have learned how to make synthetic antenna and reaction center molecules that absorb light and undergo photoinduced electron transfer to generate long-lived, energetic charge-separated states. We have assembled a prototype system in which artificial reaction centers are inserted into liposomes (artificial cell-like constructs), where they carry out light-driven transmembrane translocation of hydrogen ions to generate proton motive ...

International Nuclear Information System (INIS)

An electron moving over the surface of a diffraction grating will transfer a part of its kinetic energy to radiation via a velocity synchronous coupling with a slow space harmonic component of the field. Since the phase velocity of a slow space harmonic is less than the speed of light, the slow components decay exponentially, or evanesce, with distance above the grating and the evanescence scale is determined by the product of the relative velocity, #beta#, the relative energy, #gamma#, and the wavelength #lambda#. Thus, in the relativistic regime, good electron - grating coupling can be maintained at beam heights that are greater than the emitted wavelength. In order to explore this regime a series of experiments have been carried out with moderately energetic beams and an experiment with the 70-MeV beam at the Accelerator Test Facility is in the planning stage. The work has two basic goals: the first is to explore the characteristics of the spontaneous emission ...

Energy Technology Data Exchange (ETDEWEB)

This thesis deals with the special electronic properties of the transition-metal aluminides. Following quasicrystals and their approximants it is shown that even materials with small elementary cells exhibit the same surprising effects. So among the transition-metal aluminides also semi-metallic and semiconducting compounds exist, although if they consist of classic-metallic components like Fe, Al, or Cr. These properties are furthermore coupled with a deep pseusogap respectively gap in the density of states and strongly covalent bonds. Bonds are described in this thesis by two eseential properties. First by the bond charge and second by the energetic effect of the bond. It results that in the caes of semiconducting transition-metal aluminides both a saturation of certain bonds and a bond-antibond alteration in the Fermi level is present. By the analysis of the near-order in form of the so-calles coordination polyeders it has been succeeded to establish a simple ...

International Nuclear Information System (INIS)

In this paper author deals with the regulation of electricity prices in the Slovak Republic. Author contests the social policy of the government through doped prices of electricity. Two thirds of electricity is generated in nuclear power plants in Slovakia. Hence, it is necessary to focus on the solution of problem of nuclear waste. In 2004 Ministry of Economy stated, that the deficit in nuclear fund, from which the country have to fully cover the costs of liquidation and final disposal of nuclear waste, is estimated in the amount of around 89 billion Slovak crowns (? 3.7 billion $). From it, so called historical deficit, which originated because of late foundation of fund, represents officially 15 billion Slovak crowns (? 0.62 billion $). In Slovakia exists the real risk, that by maintenance of present state by creation and draw of the fund, it will be possible to ensure only 39 per cent of financial sources necessary for full financial handling of the back part of nuclear ...

Energy Technology Data Exchange (ETDEWEB)

Among the most promising technological alternatives for the development of photovoltaic modules and cells of a low cost, good energetic conversion and feasibility for mass production, polycrystalline silicon thin film solar cells deposited directly on a transparent substrate are currently being considered the best. We have developed in our laboratory a PECVD reactor capable of producing the deposition of amorphous hydrogenated silicon at rates of above 2 nm/seg, allowing a significant production per line on the plant. Discharge gas is silane, to which diborane or phosphine is added so as to form the cell. Basically, work is done on a structure of cell type TCO/n+/p-/p+/M, which has 2 {mu}m of total thickness. Schott AF-37 glass is used as a substrate, for their ability to withstand temperatures of up to 800 C. The amorphous cell is subsequently annealed at gradual temperatures of 100 C to achieve dehydrogenation up to 650-700 C for 12 h until their complete ...

Energy Technology Data Exchange (ETDEWEB)

Chapter 2 describes the worldwide increase of primary energy consumption, which is expected in coming decades and results in possible solutions of a decentralised energy supply that is mainly based upon renewable energy carriers and the use of cogeneration systems. Chapter 3 shows the characteristics of decentralised system components that have been investigated in the frame of this research work as well as the resulting model library to depict the operational performance of the individual components and their mutual influence. A detailed dynamic simulation of a complete fuel cell system based on a steam reformer including the concept of local and superordinate control circuits is presented in chapter 4. Chapter 5 includes the integrated concepts for the intelligent and adaptable management of complex decentralised energy systems as well as a description of their implementation. Apart from the applied metaheuristic optimization methods the adaptable fuzzy-system, used in this case, is ...

International Nuclear Information System (INIS)

Spectral room temperature photoluminescence (pl) of polycrystalline Cu(In,Ga)Se2 films (CIGSe) is evaluated with respect to optoelectronic properties and in particular for the determination of the splitting of quasi-Fermi levels (EFn - EFp). For lateral resolution of ? 1 ?m a confocal pl-setup is used. The depth profile of the excess carrier densities determining the rates of radiative transitions strongly govern the spectral pl-shape which has been numerically modeled with a matrix transfer formalism. In this optical approach we discriminate for wave propagation and attenuation in a multilayer system between a plane-wave ansatz and a 3D-spherical formalism, depending on excitation area large or small/similar compared to the thickness of the absorber. In both cases re-absorption of photons in energetic regimes with absorption approaches unity, from which the splitting of the quasi-Fermi levels is preferentially deduced, substantially influence the spectral ...

International Nuclear Information System (INIS)

The in-situ measurement of a crystallographic texture is a special type of a non-destructive measurement, which need special equipments. Due to the high photon flux and the excellent brilliance high energetic synchrotron radiations are a fantastic tool particular in fast experimentation. Moreover, a high penetration power allows the investigation of standard tensile sample of the DIN-norm. A loading device with a power up to 20 kN was installed at the hard wiggler beamline BW5 (HASYLAB-DESY) to perform in-situ strain and in-situ texture analysis. Using 100keV X-rays one gets short wavelength so that a 2D image-plate detector offers a wide range of diffraction pattern within the first 10 degree in 2 theta. Thermal neutron is another radiation with a high penetration power, which is the standard method for global texture analysis of bulk samples. As an example rectangular extruded Mg- Az31 was investigated by an in-situ. tensile experiment. Samples with 0 degree, 45 ...

Science.gov (United States)

Outgoing longwave radiation (OLR) and low-level wind fields in the Atlantic and Pacific Intertropical Convergence Zone (ITCZ) are dominated by variability on synoptic time scales primarily associated with convectively coupled easterly waves during boreal summer and fall. This study uses spectral filtering of observed OLR data to capture the convective variability coupled to Pacific easterly waves. Filtered OLR is then used to isolate easterly waves in winds, temperature and humidity fields from TAO/TRITON and TAO/EPIC buoys, radiosondes, and gridded reanalysis products. Our analysis shows that while some of the Pacific easterly waves originate in the Atlantic, most of the waves appear to form and strengthen within the Pacific. Pacific easterly waves have wavelengths of 3300-5500 km and phase speeds of 9-13 m s-1. A warm, moist boundary layer is observed ahead of the convective wave, with moisture lofted quickly through the troposphere by deep convection, followed by a cold, dry signal ...

Science.gov (United States)

The kinetics of benzoate degradation by the anaerobic syntrophic bacterium, Syntrophus buswellii, was studied in coculture with Desulfovibrio strain G11. The threshold value for benzoate degradation was dependent on the acetate concentration with benzoate threshold values ranging from 2.4 [mu]M at 20 mM acetate to 30.0 [mu]M at 65 mM acetate. Increasing acetate concentrations also inhibited the rate of benzoate degradation with a apparent K[sub i] for acetate inhibition of 7.0 mM. Lower threshold values were obtained when nitrate rather than sulfate was the terminal electron acceptor. These data are consistent with a thermodynamic explanation for the threshold, and suggest that there is a minimum Gibbs free energy value required for the degradation of benzoate. An acetoacetyl-CoA thiolase has been isolated from Syntrophomonas wolfei; it is apparently a key enzyme controlling the synthesis of poly-B-hydroxyalkanoate from acetyl-CoA in this organism. Kinetic characterization of the ...

International Nuclear Information System (INIS)

This paper describes a reactor design to facilitate a room-temperature nuclear fusion/fission reaction to generate heat without generating unwanted neutrons, gamma rays, tritium, or other radioactive products. The room-temperature fusion/fission reaction involves the sequential triggering of billions of single-molecule, "6LiD 'fusion energy pellets' distributed in lattices of a palladium ion accumulator that also acts as a catalyst to produce the molecules of "6LiD from a solution comprising D_2O, "6LiOD with D_2 gas bubbling through it. The D_2 gas is the source of the negative deuterium ions in the "6LiD molecules. The next step is to trigger a first nuclear fusion/fission reaction of some of the "6LiD molecules, according to the well-known nuclear reaction: "6Li + D #-># 2"4He + 22.4 MeV. The highly energetic alpha particles ("4He nuclei) generated by this nuclear reaction within the palladium will cause shock and vibrations in the palladium lattices, leading ...

Energy Technology Data Exchange (ETDEWEB)

Copper coatings deposited on Al-6061 substrates by radio frequency magnetron sputtering, to prevent the retention and permeation of energetically implanted tritium in Al-6061, were evaluated by a variety of characterization techniques. The coatings, weighing in the 0.03 to 0.088 kg/m{sup 2} range, were smooth and had a fine grain structure. They contained the intermetallic phases Cu{sub 9}Al{sub 4} and CuAl{sub 2} as well as copper. The fractions of Al and Cu in any coating increased and decreased, respectively, with increasing depth below the surface. Furthermore, the fractions of Al and Cu on the coating surface decreased and increased, respectively, with increasing coating weight. There was no texture or preferred orientation in the Cu phase of the coatings. A significant amount of oxygen was also detected at the original substrate surface. Residual stress measurements revealed that, in both Cu and CuAl{sub 2}, the stresses in the coating plane were compressive, ...

Science.gov (United States)

Energetic ions interact with materials by collisions with the nuclei and electrons of the atoms that make up the material. In these collisions energy and momentum is transferred from the projectile particle which is a moving atom or ion, to the target particles (atomic nucleus or electron). Each collision leads to a slowing down of the moving projectile and also a deflection of the trajectory which gives rise to the term scattering which is often used synonymously to describe the energy transfer process. In this chapter, we introduce from an experimental viewpoint the underlying theory for interaction of ions for analysis and modification of nanometer scale materials. A more detailed theoretical overview of the topic can be found in the recent monographs by Sigmund. Detailed derivations of the formulae introduced will not be given here but can be found in standard texts that are indicated by references. The treatment here starts by considering an individual ...

Energy Technology Data Exchange (ETDEWEB)

The windmill industry in Denmark is currently confronted with making a choice between competing technologies so that the role of the stimulus of state subsidies for research has lately increased in importance. The Ministry of Energy, it is claimed, must be aware of this as possibilities for making use of research results are dictated by the market and competition. The industry is not sympathetic to the idea of state research contracts with specified goals for which manufacturers must produce a technical solution. Consultancy firms should work towards solving general problems which could help the industry as a whole. Wind turbines which are cheap to produce and operate are of more interest to industry than those which are technologically advanced or of a lighter construction. It is not thought to be advantageous to concentrate the allocation of subsidies on one key project chosen by the Ministry itself, such as the current intense interest in turbine blades. Aerodynamics, noise ...

International Nuclear Information System (INIS)

The in-plane resistivity, in-plane absolute thermopower, and upper critical field measurements are reported for single-crystal samples of YNi_2B_2C and LuNi_2B_2C superconductors. The in-plane resistivity shows metallic behavior and varies approximately linearly with temperature near room temperature (RT) but shows nearly quadratic behavior in temperature at low temperatures. The YNi_2B_2C and LuNi_2B_2C single-crystal samples exhibit large transverse magnetoresistance (#approx#6 8% at 45 kOe) in the ab plane. The absolute thermopower S(T) is negative from RT to the superconducting transition temperature T_c. Its magnitude at RT is a few times of the value for a typical good metal. S(T) is approximately linear in temperature between #approx#150 K and RT. Extrapolation to T=0 gives large intercepts (few #mu#V/K) for both samples suggesting the presence of a much larger knee than would be expected from electron-phonon interaction renormalization effects. The upper ...

International Nuclear Information System (INIS)

In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C3H8O), water (H2O) and zinc acetate (Zn(CH3CO2)2) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(?) and reflectance R(?) spectra. Conjoint optical and thermal properties were deduced from the optical measurements in reference to the ...

Energy Technology Data Exchange (ETDEWEB)

In the group of persistent aromatic hydrocarbons, the highest values were determined for polychlorinated biphenyls (PCB), total DDT and hexachlorobenzene (HBC). Comparisons of the relevant median values for the past six years led to the conclusion that the steep initial decline in the breast milk concentrations of DDT and HBC was followed by reductions at a much lower pace in the years after 1987. The time course of the concentration of the total PCB did not appear to follow any particular pattern. The mean contents of lead and cadmium remained by a wide margin below the threshold values for these heavy metals and thus were of no relevance from the toxicological point of view. It was found that the 134 and 137 cesium isotopes constituted no particular health hazard for breast-fed infants, as the relevant concentrations in breast milk were low. (VHE) [Deutsch] In der Gruppe der persistenten Chlorkohlenwasserstoffe werden die hoechsten Konzentrationen bei den polychlorierten Biphenylen ...

Science.gov (United States)

The thermostable Thermus aquaticus DNA polymerase (Taq Pol) has been the key factor in transforming the initial PCR method into one with huge impact in molecular biology and biotechnology. Therefore, the development of effective affinity adsorbents for the purification of Taq Pol, as well as other DNA polymerases, attracts the attention of the enzyme manufacturers and the research laboratories. In this report we describe a simple protocol for the purification of Taq Pol from E. coli lysates, leading to enzymes of high specific activity and purity. The protocol is based on a single affinity chromatography step, featuring an immobilized ligand selected from a structure-biased combinatorial library of dNTP-mimetic synthetic ligands. The ligand library was screened for its ability to bind and purify Taq Pol from E. coli lysates. One immobilized ligand (mABSGu) of the general formula X-Trz-Y, bearing 9-aminoethylguanine (AEGu) and aniline-2-sulfonic acid (mABS) linked ...

International Nuclear Information System (INIS)

Tumor imaging using radioiodinated monoclonal antibodies (Mab) suffered from rapid in vivo deiodination. This problem can be circumvented by covalent attachment of a bifunctional chelating group to the Mab followed by chelation with a suitable cationic radionuclide such as In-111. Competition of trace metal contaminants with In-111 for chelating sites, however, is known to lower the labeling yield. Since commercially available reagents may be contaminated with other trace metal ions, the effect of trace metals on Mab-DTPA chelation and the possibility of masking the trace metal effect on the In-111 labeling of Mab-DTPA were, therefore, investigated. Labeling yield of 93% was obtained when 1 mg (20mg/ml) of Mab F(ab')/sub 2/-DTPA (protein to DTPA ratio of --1) was allowed to incubate with 3 mCi In-111 in 2 ml acetate buffer (0.5M, pH 5.5) for 30 min. The yield was drastically decreased to 13-76% when the reactions were carried out with the addition of 1-2 #mu#g of ...

International Nuclear Information System (INIS)

The implementation of a three-dimensional conformal radiotherapy facility in the radiotherapy department of the Heinrich Heine University is described. Complex radiotherapy techniques with commercially available networked systems are introduced to improve clinical work. Over 18 month we have gained clinical experience with a PHILIPS Multileaf Collimator (MLC) mounted on a SL 25 linear accelerator. For a limited period the MLC was used as a conventional blocking device. The standard MLC-shapes are controlled with a stand-alone computer system. In addition, a three-dimensional treatment planning system (3-D-TPS / TMS-Radix, Helax AB) based on convolution/superposition algorithms was recently installed. Treatment optimization is achieved using static field arrangements with complete volumetric computerized tomographic patient data for 3-D-TPS. Conformal adaptation of the 95%-isodose to the Planning Target Volume (PTV, ICRU 50) results in MLC-field-shaping concerning ...

International Nuclear Information System (INIS)

Expression of Bacterial luciferase enzyme (lux) in mammalian cells would be a powerful bioreporter protein system for in vivo imaging because eukaryotic luciferases need expensive substrates. However, only a few efforts have been made to express bacterial luciferase enzyme in mammalian cells. As the result of this, we attempted to construct bicistronic vector including two bacterial luciferase genes (LuxA and LuxB) for assessing the potential to be visualized in vitro or in vivo by optical imaging system after transfection to mammalian cells. We designed and synthesized luxA and luxB genes from Photorhabdus Luminescens. To co-express both luxA and luxB genes from a single promoter, we cloned as a bicistronic transcript fused with an internal ribosomal entry site (IRES). This bicistronic transcript was transfected by Superfect to HEK 293T cell line. We also transfected lux A and lux B vector to HEK 293T cells separately. To evaluate gene expression, n-decanal and FMNH2 were supplemented ...

Energy Technology Data Exchange (ETDEWEB)

The aim was to compare the energy consumption by private and commercial vehicles with that of public transport facilities constituting urban street traffic, and to evaluate the influence of various traffic related plans such as green waves (where cars are able to drive through the town with relatively few accelerations and braking) streets with lower speed limits and special lanes and priorities for buses. The traffic pattern in four Copenhagen streets (Jagtvej, Soelvgade, Bredgade and Strandvejen) were measured and analyzed both in, and not in, the rush hour, and a special model was used to calculate the energy consumption. The model defines degree of acceleration and slow-down and speed when calculating energy consumption with regard to various driving patterns. It also calculates carbon dioxide emission. It was found that energy consumption decreased with increasing driving speed at 10-60 km/h for all vehicles. The case of buses is a little different because of having to stop so ...

Energy Technology Data Exchange (ETDEWEB)

To establish the optimum barium-based reduced-laxative tagging regimen prior to CT colonography (CTC). Ninety-five subjects underwent reduced-laxative (13 g senna/18 g magnesium citrate) CTC prior to same-day colonoscopy and were randomised to one of four tagging regimens using 20 ml 40%w/v barium sulphate: regimen A: four doses, B: three doses, C: three doses plus 220 ml 2.1% barium sulphate, or D: three doses plus 15 ml diatriazoate megluamine. Patient experience was assessed immediately after CTC and 1 week later. Two radiologists graded residual stool (1: none/scattered to 4: >50% circumference) and tagging efficacy for stool (1: untagged to 5: 100% tagged) and fluid (1: untagged, 2: layered, 3: tagged), noting the HU of tagged fluid. Preparation was good (76-94% segments graded 1), although best for regimen D (P = 0.02). Across all regimens, stool tagging quality was high (mean 3.7-4.5) and not significantly different among regimens. The HU of layered tagged fluid was ...

Energy Technology Data Exchange (ETDEWEB)

Non-edible filtered high viscous (72 cSt at 40{sup o}C) and high acid value (44 mg KOH/gm) polanga (Calophyllum inophyllum L.) oil based mono esters (biodiesel) produced by triple stage transesterification process and blended with high speed diesel (HSD) were tested for their use as a substitute fuel of diesel in a single cylinder diesel engine. HSD and polanga oil methyl ester (POME) fuel blends (20%, 40%, 60%, 80%, and 100%) were used for conducting the short-term engine performance tests at varying loads (0%, 20%, 40%, 60%, 80%, and 100%). Tests were carried out over entire range of engine operation at varying conditions of speed and load. The brake specific fuel consumption (BSFC) and brake thermal efficiency (BTE) were calculated from the recorded data. The engine performance parameters such as fuel consumption, thermal efficiency, exhaust gas temperature and exhaust emissions (CO, CO{sub 2}, HC, NOx, and O{sub 2}) were recorded. The optimum engine operating condition based on ...

International Nuclear Information System (INIS)

Anti-carcinoembryonic antigen monclonal antibody (MAb) CEA 102 was produced by immunization with purified CEA and the specific accumulation of radiolabeled CEA 102 in colorectal cancers was investigated by autoradiography of sugical specimens using Fuji Computed Radiography (FCR). Five patients with colorectal cancer were injected intravenously with "1"3"1I-labeled intact CEA 102 or its F(ab')_2. Primary tumor and liver metastases were successfully detected by external scanning with a gamma camera in 4 cases. Autoradiographic study of the surgical specimens using FCR showed predominant localization of "1"3"1I-labeled CEA 102 in primary tumors and liver metastases in all cases. Even a small liver metastasis (0.5 cm) was clearly visualized in the autoradiogram by FCR. The pixel distribution curves of the density of the respective tissues in the autoradiograms by FCR showed the heterogeneity of the distribution of administreted radiolabeled MAb in individual tumors, ...

International Nuclear Information System (INIS)

The spike (S) protein of severe acute respiratory syndrome coronavirus (SARS-CoV) has two major functions: interacting with the receptor to mediate virus entry and inducing protective immunity. Coincidently, the receptor-binding domain (RBD, residues 318-510) of SAR-CoV S protein is a major antigenic site to induce neutralizing antibodies. Here, we used RBD-Fc, a fusion protein containing the RBD and human IgG1 Fc, as a model in the studies and found that a single amino acid substitution in the RBD (R441A) could abolish the immunogenicity of RBD to induce neutralizing antibodies in immunized mice and rabbits. With a panel of anti-RBD mAbs as probes, we observed that R441A substitution was able to disrupt the majority of neutralizing epitopes in the RBD, suggesting that this residue is critical for the antigenic structure responsible for inducing protective immune responses. We also demonstrated that the RBD-Fc bearing R441A mutation could not bind to soluble and ...

International Nuclear Information System (INIS)

The use of natural energy sources and their conversion to secondary forms of energy are a crucial base for the development of our society with its continuous change of requirements due to an increase in population and the broadening of the needs in our modern life. As a consequence the consumption of primary energy resources rose drastically worldwide during the last 5 decades in particular in the industrialized regions such as Europe. Parallel in time the increasing awareness of negative effects of fuel dependent pollution on the environment and the introduction of stringent emission control regulations about 3 decades ago initiated extensive development and retrofit activities resulting in the today applied high level state of the art. As an additional challenge the worldwide debate about the potential effects of the emission of the s.c green house gases on the global climate in particular carbon dioxide from the use of predominantly fossil fuels have initiated in the European Union ...

Energy Technology Data Exchange (ETDEWEB)

Typical beam lines are comprised of an assembly of vacuum valves and shutters referred to as a ''front end'', optical elements to monochromatize, focus and split the photon beam, and an experimental area where a target sample is placed into the photon beam and data from the interaction is detected and recorded. Windows are used to separate sections of beam lines that are not compatible with storage ring ultra high vacuum. Some experimental beam lines share a common vacuum with storage rings. Sections of beam lines are only allowed to vent up to atmospheric pressure using pure nitrogen gas after a vacuum barrier is established to protect ring vacuum. The front end may only be bled up when there is no current in the machine. This is especially true on the VUV storage ring where for most experiments, windows are not used. For the shorter wavelength, more energetic photons of the x-ray ring, beryllium windows are used at various beam ...

International Nuclear Information System (INIS)

A series of measurements of O_3 yield in nuclear induced O_2 and O_2-SF_6 discharges created by bombardment with energetic particles from the "1"0B(n,#alpha#)"7Li reaction are reported. Continuous irradiation at dose ratios of 10"1"5-10"1"7 eV.cm"-"3.s"-"1 and pulsed irradiation (approx.10 ms FWHM) at a peak dose rate of approx.10"2"0 eV.cm"-"3.s"-"1 were conducted. At the lower dose rates, SF_6 addition generally increased the ozone yield, which at the high dose rates, SF_6 addition decreased the observed ozone concentration. A numerical model was developed and applied to experimental conditions. The steady-state ozone concentration was found to be limited by the reaction O_3"- + O_3 #-># 2O_2 + O_2"-. A simplified analytical model of steady-state conditions was used to predict model sensitivity to various parameters. In addition to dose rate effects, pressure and temperature effect on ozone production were discussed. The present study was extended to noble gas ...

Energy Technology Data Exchange (ETDEWEB)

The in-plane resistivity, in-plane absolute thermopower, and upper critical field measurements are reported for single-crystal samples of YNi{sub 2}B{sub 2}C and LuNi{sub 2}B{sub 2}C superconductors. The in-plane resistivity shows metallic behavior and varies approximately linearly with temperature near room temperature (RT) but shows nearly quadratic behavior in temperature at low temperatures. The YNi{sub 2}B{sub 2}C and LuNi{sub 2}B{sub 2}C single-crystal samples exhibit large transverse magnetoresistance ({approx}6{endash}8{percent} at 45 kOe) in the ab plane. The absolute thermopower S(T) is negative from RT to the superconducting transition temperature T{sub c}. Its magnitude at RT is a few times of the value for a typical good metal. S(T) is approximately linear in temperature between {approx}150 K and RT. Extrapolation to T=0 gives large intercepts (few {mu}V/K) for both samples suggesting the presence of a much larger {open_quotes}knee{close_quotes} than ...