International Nuclear Information System (INIS)

The true potential energy curve for the x "1#SIGMA#"+ state of BeO has been calculated using the RKRV method. The dissociation energy of the ground state has been estimated to be 5.15 +- 0.05 eV by the curve-fitting method using the three-parameter potential energy function of Lippincott with an RKRV potential energy curve. (author).

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

The paper contains a numerical evaluation of the expressions for the absorptive potential in heavy ion reactions given earlier. With a standard folding expression for the real part of the ion-ion potential general good agreement is found with experimental data for the angular distributions of elastic and inelastic scattering. Special interest is attached to the case of "1"6O + "2"8Si where the calculated imaginary potential is very small at low bombarding energies. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The Monte Carlo simulation method is applied to calculate the nucleon transfer part of the imaginary optical-model potential in colliding heavy ions. In the process of transfer of nucleons from one nucleus to the other, forward and backward neutrons and protons are treated separately by taking into consideration the effect of the Coulomb forces and the potential energy surfaces (driving forces). The Pauli exclusion principle is also incorporated properly in the calculation.

International Nuclear Information System (INIS)

By the linear augmented plane wave method (APW) the energy zone of silver and technetium structure is calculated. The potential has been determined by means of superposition of atomic charge densities according to slater exchange method. Total and partial state densities have been calculated by the tetrahedron method. The APW-method convergence on the example of silver is studied, the comparison with the calculation results by the APW method and other data is carried out. The APW method high efficiency is pointed out. In dipole approximation the intensity distribution in L"3, M"5 N"3 technetium emission spectra is calculated.

International Nuclear Information System (INIS)

The effect of two-body nature of the nuclear shell model potential on the recent numerical calculations of the nuclear level density has been examined. For the two most widely used single particle energy level schemes based on harmonic oscillator and Woods-Saxon potential, this effect is shown to significantly modify the excitation energy dependence of the level densities. (author).

International Nuclear Information System (INIS)

The interaction between a lower hybrid wave and a fusion alpha particle displaces the alpha particle simultaneously in space and energy. This results in coupled diffusion. Diffusion of alphas down the density gradient could lead to their transferring energy to the wave. This could, in turn, put energy into current drive. Here we calculate numerical solutions for the alpha energy transfer and study a range of conditions that are favourable for wave amplification from alpha energy. We find that it is possible for fusion alpha particles to transfer a large fraction of their energy to the lower hybrid wave. The numerical calculation shows that the net energy transfer is not sensitive to the value of the diffusion coefficient over a wide range of practical values. An extension of this idea, the use of a ...

Science.gov (United States)

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

International Nuclear Information System (INIS)

A new potential function based on spectroscopic results for diatomic molecules is presented and applied to the hydrogen bonding systems. The potential energy of interaction is supposed to have electrostatic, polarization, dispersion, repulsion and effective charge-transfer contributions. Estimates of the effective charge-transfer quantity have been made based on the average charge of the proton donor and the acceptor atoms. For dimers such as water, methanol, acetic acid and formic acid, the vibrational stretching frequencies and dimerization energies are calculated and discussed in connection with Badger-Bauer rule. (author).

International Nuclear Information System (INIS)

Differential cross sections of the (#alpha#, t) reactions on "4"5Sc, "5"1V, and "5"9Co nuclei are measured in the 10-71 deg, 10-155 deg, and 10-171 deg angular ranges, respectively, with 27.2 MeV alpha particles. The cross sections have also been calculated on the basis of the distorted wave theory. The possibility of an unambiguous choice of the optical potential for alpha particles is discussed. The angular distribution calculations using several combinations of the optical potentials in the inlet and outlet channels of the reactions show that consistence between the calculations and the measurements is achieved (especially in angular range, less than 90 deg, if one of the potentials is chosen to be a sufficiently deep one.

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

A theoretical study of electron and positron band structures of zinc-blende AlN and InN and their alloy Al_0_._5In_0_._5N is presented using the first-principles full-potential linearized augmented plane-wave method. Equilibrium lattices constants are determined from the total-energy minimization method. The results are compared with previous calculations and with experimental measurement. Electron and positron charge densities are computed as function of position in the unit cell. Detailed plots of distributions are along the direction. The ionicity factors are calculated by means of three different approaches. The calculated results of the positron charge density reflect the high insight for the annihilation effect.

International Nuclear Information System (INIS)

The electronic structure and optical properties in tetragonal ceramics PbTiO_3, are studied by using full-potential linearized augmented plane wave method in density functional theory with the generalized gradient approximation by WIEN2K package. The theoretical calculated optical properties and energy loss spectrum yield a static refractive index of 2.59 and a plasmon energy of 22.7eV for the tetragonal phase. The effective electron number at low energy saturates near 22-23eV with the value of 50 for the effective electron number. The results show a indirect band gap of 2.2eV at the I' point in the Brillouin zone. The :calculated band structure and density of states of PbTiO_3 agree with previous experimental and theoretical results.

International Nuclear Information System (INIS)

Cross sections for the elastic and inelastic scattering of "1"6O on "5"8Ni, "8"8Sr, "4"0Ca, and "4"8Ca have been calculated in a coupled-channels treatment, including the low-lying 2"+ and 3"- states of both projectile and target. Real, energy-independent ion-ion potentials and form factors were used, and fusion was simulated by ingoing wave boundary conditions in all channels. The agreement with the measured scattering data is qualitatively as good as obtained in previous optical-model calculations.

Energy Technology Data Exchange (ETDEWEB)

Decay sequences based on the 1/2/sup +/(660) proton orbital have been identified in /sup 171/Ta and /sup 177/Re based on spin, parity, and large alignment. This decay sequence is observed higher in energy than predicted in cranking calculations based on modified oscillator potentials. Similarly known 1/2/sup -/(541) decay sequences in these and other neighbouring isotopes are observed lower in energy than predicted. A reduction in the strength of the spin-orbit potential for protons is suggested as a solution to these problem.

International Nuclear Information System (INIS)

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

KoreaScience (Korea)

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International Nuclear Information System (INIS)

The energy-versus-volume curve of the spin-density wave (SDW) in body-centred-cubic Cr is calculated with the density functional theory/full-potential linearized augmented plane wave (DFT/FLAPW) method using the generalized gradient approximation (GGA). The predicted ground state is not the SDW, in contrast to an earlier FLAPW calculation. A conjecture is formulated that the widely varying results of the local density approximation (LDA) and GGA - and of different solution methods - can be scaled by the size of the calculated moment. As a consequence, experimentally relevant properties of the SDW can be calculated by tuning the moment. The implications of these results for the ability of DFT to describe Cr are discussed. (author)

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 ...

International Nuclear Information System (INIS)

Muonic-atom energy levels and wave functions are calculated. The results are corrected for nearly all important static effects, including finite nuclear size as produced by a user-specified nuclear charge distribution. Fourth-order Runge-Kutta integration of the radial Dirac equations, with the secant method determining the eigenvalues. Corrections are either included as potentials in the Dirac equations or computed as first-order perturbations. The code assumes spherical symmetry, so that effects of nuclear deformation may be treated only as static first-order perturbations. Dynamic muon-electron and muon-nuclear effects are neglected (the latter are calculated by RURP). (Auth.).

International Nuclear Information System (INIS)

Elastic scattering cross sections of keV protons in solids (Z=3-82) are calculated using the partial wave expansion technique and the ''muffin-tin'' bound-atom potential. The differential cross sections for small scattering angles of less than 10deg are smaller than those with the Ziegler-Biersack-Littmark potential at all energies and for all solids, although, for larger angles, the two cross sections agree with each other. The mean free paths of the protons in the solids, obtained from the total cross sections, decrease very slowly with decreasing energy. Furthermore, at low energies they approach half the nearest-neighbor distance, which is taken as the radius of the augmented plane wave sphere in the muffin-tin model of crystalline solids. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Rice husk generated as a by-product of rice processing is an important energy resource. The availability of this resource in India has been assessed and the technologies for exploitation of its energy potential in the rice processing industry discussed. Nomographs have been developed for estimation of the husk required to meet the energy of parboiling, drying and milling operations. The unit cost of electricity using rice husk gasifier-based power generation systems has been calculated and its financial feasibility assessed in comparison with utility-supplied and diesel-generated electricity. With the cost and efficiency data assumed here, the unit cost of electricity produced by rice husk gasifier-dual fuel engine-generator system varies between Rs 2/kWh and Rs 7/kWh. (35 Rs approximates to SUS 1.). (author)

International Nuclear Information System (INIS)

The rare earth antimonates RE_3Sb_5O_1_2 constitute an isostructural series, where the rare earth site symmetry is S_4. The spectroscopic properties of pure or doped compounds of this family are studied in order to derive their energy level schemes and to simulate them through the crystal field theory, by using the approximated D_2_d potential. The paramagnetic susceptibilities are calculated with the derived wavefunctions and compared to experiment.

British Library Electronic Table of Contents (United Kingdom)

The ground state of a three-dimensional (3D) rotating trapped superfluid Fermi gas in the BCS-BEC crossover is mapped to finite N v -body vortex states by a simple ansatz. The total vortex energy is measured from the ground-state energy of the system in the absence of the vortices. The vortex state is stable since the vortex potential and rotation energies are attractive while the vortex kinetic energy and interaction between vortices are repulsive. By combining the analytical and numerical works for the minimal vortex energy, the 2D configurations of N v vortices are studied by taking into account of the finite size effects both on xy-plane and on z-direction. The calculated vortex numbers as a function of the interaction strength are appropriate to the renew experimental results by Zwier...

International Nuclear Information System (INIS)

We report the implementation of positron wave function and lifetime calculations in the all-electron full-potential linearized augmented plane wave method. Calculations of lifetimes for more than 30 materials with two different forms of the enhancement factor were done and compared to prior calculations and experiment. We find that reasonable agreement with experiment can be obtained within the local density approximation when all-electron full-potential calculations are done.

International Nuclear Information System (INIS)

Isotropic Compton profiles of TaC and TaN have been measured for the first time, at an intermediate resolution, using 662 keV #gamma#-radiation. Energy bands, density of states and Fermi surface topology of TaC and TaN have been computed using linear combination of atomic orbitals with density functional theory and full potential linearised augmented plane wave method. Both band structure calculations predict the metallic character of TaC and TaN. The electron momentum densities calculated using various approaches of density functional theory are compared with the present measurements. On the basis of Mulliken's population, it is also seen that TaC has more covalent bonding than TaN. The optical properties computed using full potential linearised augmented plane wave method are explained in terms of intraband transitions.

Science.gov (United States)

The metal-semiconductor solar cell is a potential candidate for converting solar energy to electrical energy for space and terrestrial application. In this paper, a method for obtaining parameters of practical antireflection (AR) coatings for the metal-semiconductor solar cells is given. This method utilizes the measured equivalent index of refraction obtained from ellipsometry, since the surface to be AR coated has a multilayer structure. Both the experimental results and theoretical calculations of optical parameters for Ta/sub 2/O/sub 5/ AR coatings on Au-GaAs and Au-GaAs/sub 0.78/P/sub 0.22/ solar cells are presented for comparison. (AIP)

Energy Technology Data Exchange (ETDEWEB)

A theoretical study of an exciton confined in a quantum ring is presented. The quantum ring is described as a two-dimensional circular quantum dot with a repulsive core, which is modelled with the help of two Gaussian functions. We have applied the variational method and investigated the evolution of the low-energy exciton spectrum with the change of the confinement potential. The calculations have been performed for the recently produced self-assembled ring-shaped InGaAs quantum dots. We have shown that the repulsive core strongly increases the radiative transition probability from the exciton ground state at the expense of the decreasing probability of the transitions from the excited states. This effect results from the orthogonality properties of the exciton wavefunctions, which are specific to the quantum-ring confinement potential. We have studied the characteristic features of the exciton ...

International Nuclear Information System (INIS)

The numerical calculation of oscillatory wavefunctions occurring in the theory of electron scattering from positive ions is considered, the aim being to develop methods for evaluating the oscillatory solutions using a logarithmic grid. Thus, the permitted step-size for the solution depends only upon the potential, enabling calculations at different energies to be performed using the same discretisation. Two similar generalisations of the W.K.B. transformation for second order ordinary differential equations are made and applied to the radial Dirac equations. Iterative schemes for the solution of the resulting non-linear amplitude equations are discussed, one for use in the asymptotic region and the other a Newton scheme for continuing the solution closer to the origin. Using these techniques a reliable and efficient program for calculating relativistic scattering phase shifts from ...

International Nuclear Information System (INIS)

Thienyl oxazoles and thienyl isoxazoles, are composite molecules having two subsystems thiophene and oxazole molecules connected together by a single bond that they have 13 isomers. They are potential candidates for many kinds of applications such as OLED and nonlinear optical materials. Initially equilibrium geometries of title compounds have been obtained without any restriction using density functional theory with 6-311++g(2d,p) basis set. We obtained structural parameters, dipole moment and electronic energy. At the second stage, we have calculated some electronic and nonlinear optical properties such as HOMO and LUMO energies, polarizability, anisotropic polarizability and hyper polarizability using same level of theory.

Science.gov (United States)

In a relativistic density-functional theory the importance of the transverse photon contribution to the exchange potential in the high-density regime is pointed out. A neutral atom /sup 92/U is studied and its orbital energies calculated in the present scheme are compared with previous calculations based on relativistic Hartree, Dirac-Slater, and Dirac-Fock schemes and with experimental values from (electron spectroscopy for chemical analysis) ESCA studies. The present scheme is also used to calculate the orbital and total energies of some highly stripped ions of the Li isoelectronic sequence which occur as impurities in controlled thermonuclear plasma. These energies are found to be in close agreement with more involved Dirac-Fock results. Also, the relativistic effects significantly increase in going from C/sup 3 +/ to W/sup 71 +/ because ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Isomers have been populated in "2"4"6Cm and "2"5"2No with quantum numbers K"#pi#=8"-, which decay through K"#pi#=2"- rotational bands built on octupole vibrational states. For N=150 isotones with (even) atomic number Z=94-102, the K"#pi#=8"- and 2"- states have remarkably stable energies, indicating neutron excitations. An exception is a singular minimum in the 2"- energy at Z=98, due to the additional role of proton configurations. The nearly constant energies, in isotones spanning an 18% increase in Coulomb energy near the Coulomb limit, provide a test for theory. The two-quasiparticle K"#pi#=8"- energies are described with single-particle energies given by the Woods-Saxon potential and the K"#pi#=2"- vibrational energies by quasiparticle random-phase approximation calculations. Ramifications for ...

Energy Technology Data Exchange (ETDEWEB)

The availability of new, high-intensity, cold and thermal neutron sources has opened the possibility of performing high-precision fundamental neutron physics experiments, including measurements that study the hadronic weak interaction and standard model test measurements, using neutron decay. The observables in these experiments are usually correlated with the direction of neutron polarization and are often very small (10 8 10 6). Mott-Schwinger scattering of polarized neutrons can produce spin-dependent shifts in beam centroids, which has the potential to produce significant systematic effects for these types of experiments. An accurate calculation of this process for neutral atoms and basic molecules has not been carried out for low neutron energies. In this work, we derive a general expression for the electromagnetic (Mott-Schwinger) contributions to the analyzing power for low-energy neutron ...

CERN Document Server

We calculate quark-antiquark potentials using the relationship between the expectation value of the Wilson loop and the action of a probe string in the string dual. We review and categorize the possible forms of the dependence of the energy on the separation between the quarks. In particular, we examine the possibility of there being a minimum separation for probe strings which do not penetrate close to the origin of the bulk space, and derive a condition which determines whether this is the case. We then apply these considerations to the flavoured resolved deformed conifold background of Gaillard et al. We suggest that the unusual behaviour we observe in this solution is likely to be related to the IR singularity which is not present in the unflavoured case.

Energy Technology Data Exchange (ETDEWEB)

Solving a coupled set of differential equations formed by a Fokker-Planck equation and a set of master equations, we can calculate the number of 'prefission' particles (n,p,a), which are emitted from a hot, rotating compound nucleus. Furthermore we get their energy spectrum and their angular momentum distribution. Our results depend sensitively on the friction parameter {gamma}, the inertia M and the fission potential. Comparing the results with experimental data, we may learn something about these quantities. The investigations have been made for {sup 187}Ir and {sup 185}Os. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The rare earth antimonates RE{sub 3}Sb{sub 5}O{sub 12} constitute an isostructural series, where the rare earth site symmetry is S{sub 4}. The spectroscopic properties of pure or doped compounds of this family are studied in order to derive their energy level schemes and to simulate them through the crystal field theory, by using the approximated D{sub 2d} potential. The paramagnetic susceptibilities are calculated with the derived wavefunctions and compared to experiment.

Energy Technology Data Exchange (ETDEWEB)

By applying the mass, momentum, and angular momentum conservation laws and the maximum flow rate principle to swirling, effectively inviscid, incompressible flows in a circular tube with a sudden expansion and the direct-flow and reversed-flow Borda mouthpieces the dependence of the flow rate coefficient and mechanical energy losses on the radius ratio and nondimensional circulation is obtained. Several calculating approaches with potential and helical motion are introduced and investigated. In the case of helical motion, as the swirl decreases the axial core of the flow is found to close with a sudden change of the flow parameters.

British Library Electronic Table of Contents (United Kingdom)

The subband structure and optical properties of a cylindrical quantum well wire under intense non-resonant laser field are investigated by taking into account the correct dressing effect for the confinement potential. The energy levels and wave functions are calculated within the effective mass- approximation using a finite element method. It is found that the absorption coefficient and the saturation intensity are strongly affected by the laser amplitude and frequency as well as by the incident light polarization. As a key result, a large anisotropy in the linear and nonlinear optical absorptions for very intense laser field is predicted. These effects can be useful for the design of polarization sensitive devices.

CERN Document Server

A time-reversal-violating spin-correlation coefficient in the total cross section for polarized neutrons incident on a tensor rank-2 polarized target is calculated by assuming a time-reversal-noninvariant, parity-conserving ``five-fold" interaction in the neutron-nucleus optical potential. Results are presented for the system $n + {^{165}{\\rm Ho}}$ for neutron incident energies covering the range 1--20 MeV. From existing experimental bounds, a strength of $2 \\pm 10$ keV is deduced for the real and imaginary parts of the five-fold term, which implies an upper bound of order $10^{-4}$ on the relative $T$-odd strength when compared to the central real optical potential.

Energy Technology Data Exchange (ETDEWEB)

The developed electrical networks in the agricultural regions of the Estonian SSR make it possible to construct relatively powerful wind power plants at the sites of the most favorable wind conditions with small outlays for the power transmission lines. The wind power plant electricity can be used to electrify the production processes in agriculture, while the surplus can be supplied to the energy system. The inclusion of the wind power plants in the energy system makes it possible to improve the total generation of energy or reduce the consumption of fuel. With the efficient arrangement of the wind power plants, one can also reduce the energy losses during its transfer. Calculations indicated that in the coastal zones of the Estonian SSR, one can obtain specific power of 420-480 kW/km/sup 2/. For comparison it is indicated that the Estonian SSR in the agricultural regions now uses ...

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.

Energy Technology Data Exchange (ETDEWEB)

The US Department of Energy (DOE) sponsors an extensive research program to improve the methods, dosimeters, and instruments available to DOE facilities for measuring neutron dose and assessing its effects on the work force. The Total Dose Meter was recently developed for measuring in real time the adsorbed dose of mixed neutron and gamma radiation and for calculating the dose equivalent. The Field Neutron Spectrometer was developed to provide a portable instrument for determining neutron spectra in the workplace for flux-to-dose equivalent conversion and quality factor calculation. The Combination Thermoluminescence/Track Etch Dosimeter (TLD/TED) was developed to extend the effective neutron energy range of the conventional TLDs to improve detection of fast-energy neutrons. An Optically Stimulated Luminescence Dosimeter is presently being developed for application to gamma, ...

International Nuclear Information System (INIS)

... astatine complexes astatine compounds coulomb energy effective charge

Energy Technology Data Exchange (ETDEWEB)

Heavy Ion Collisions at RHIC and LHC energies are potentially an interesting laboratory for the study of QED. In these collisions, a Heavy Ion in one beam sees a highly Lorentz contracted electric field due to an oncoming beam particle. The Electric field reaches a maximum value of E {approx_equal} {gamma}{sub eff} {center_dot} Z {center_dot} e/b{sup 2}, where the apparent Lorentz factor, {gamma}{sub eff} = 2 {center_dot} {gamma}{sub beam}{sup 2} - 1. The collision may be viewed in terms of a flux of photons colliding with a stationary ion target using the equivalent photon approximation, originally introduced by Fermi in 1924. We show that the cross section for Inelastic Electromagnetic Interactions of Heavy Ions are both calculable and have been measured in the first RHIC running period.

Energy Technology Data Exchange (ETDEWEB)

A novel two-phase flow management process useful for active thermal power rejection in space is introduced. The process serves as a condenser in a Rankine cycle and is applicable for thermal energy management needs in low gravity environments. Benefit is derived from the ability to utilize the high specific energy transport capability of two-phase flow, while not requiring mass-intensive solutions nor complex control strategies to maintain design energy balance integrity. Initial design calculations for a hypothetical space vapor cycle demonstration experiment were done and a steady-state computer model of the novel condensing process was created and used to evaluate its potential to maintain the design energy balance of the experiment. The experiment (approximately 28 kg) was a supercritical organic thermal loop operating between 500 and 400 Kelvin at a mass ...

International Nuclear Information System (INIS)

The author calculated the wavefunctions and the energy-spectra of c bar c and b bar b bound systems using the Hamiltonian proposed by Gupta, Radford and Repko (GRR). He writes the GRR Hamiltonian as H = H_o + H', where H_o includes the kinetic energy terms and the most dominant terms in the Hamiltonian. H' includes among other things the spin-spin, spin-orbit and the tensor terms in the Hamiltonian. The eigenvalue problem of H_o is solved by the variational method which makes use of a trial wave-function with eleven parameters. H' is then treated in the first order perturbation theory. The energy-spectra agree very well with experimental data. He also calculated the E1 and the M1 decay rates of these quarkonia. With relativistic corrections, the E1 transitions agree better with experiment. The dominant relativistic correction comes from the relativistic modification of the ...

Energy Technology Data Exchange (ETDEWEB)

The wavefunction of a particle extends into the classically forbidden barrier region of the potential energy surface. The consequence of this partial delocalisation is the phenomenon of quantum tunnelling, an effect which enables a particle to penetrate a potential barrier of magnitude greater than the energy of the particle. The tunnelling probability is an exponential function of the particle mass. The effect is therefore an important contribution to the behaviour of light atoms, in particular the proton. The hydrogen bond has long been appreciated to be an essential component of many biological and chemical systems, and the proton transfer reaction in the hydrogen bond is fundamental to many of these processes. The proton behaviour in the hydrogen bonds of benzoic acid, acetylacetone and calix-4-arene has been studied. A variety of techniques, both experimental and computational, were adopted for the ...

Energy Technology Data Exchange (ETDEWEB)

Activities in British Columbia's Fraser Valley generate an estimated 3 million tones of agriculture and food wastes annually, of which 85 per cent are readily available for anaerobic digestion. The potential for energy generation from biogas through anaerobic digestion is approximately 30 MW. On-farm manure-based systems represent the most likely scenario for the development of anaerobic digestion in British Columbia in the near future. Off-farm food processing wastes may be an alternative option to large centralized industrial complexes. Odour control, pathogen reduction, improved water quality, reduced greenhouse gas emissions and reduced landfill usage are among the environmental benefits of anaerobic digestion. The economical benefits include power and heat generation, biogas upgrading, and further processing of the residues to produce compost or animal bedding. This paper described a newly developed anaerobic digestion (AD) ...

International Nuclear Information System (INIS)

A featfinding committee of the German Federal Parliament in July 1980 recommended to perform a ''risk-oriented study'' of the SNR-300, the German 300 MW fast breeder prototype reactor being under construction in Kalkar. The main aim of this study was to allow a comparative safety evaluation between the SNR-300 and a modern PWR, thus to prepare a basis for a political decision on the SNR-300. Methods and main results of the study are presented in this paper. In the first step of the risk analysis six groups of accidents have been identified which may initiate core destruction. These groups comprise all conceivable courses, potentially leading to core destruction. By reliability analyses, expected frequency of each group has been calculated. In the accident analysis potential failure modes of the reactor tank have been investigated. Core destruction may be accompanied by the release of significant amounts of mechanical ...

International Nuclear Information System (INIS)

The energy levels of the configuration f"2 in an eight-fold cubic crystal field (CF) have been calculated, and the results are used to explain the experimental spectrum of UO_2. The fourth-order CF potential turns out to be much smaller than usually assumed for this compound. This has an effect of reducing the J-mixing in the wavefunctions, particularly in the case of the ground state wavefunction. In spite of the strength of the CF, the ground state vertical stroke "3H_4T_2 right angle is found to be modified only slightly by the J-mixing effect; it consists of 89.4% "3He_4, and the remaining eleven components make up the rest. Very good correlation is obtained between the experimental and simulated energy-level schemes. The predominance of "3H_4 in the ground state consequently increases the value of the calculated effective magnetic moment. The results are compared with our ...

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 ...

Energy Technology Data Exchange (ETDEWEB)

We use a nonsingular-potential model for heavy quarkonia proposed by Gupta, Repko, and Suchyta to calculate the transition amplitudes for the magnetic-dipole ({ital M}1) one-photon radiative decays of the {ital c{bar c}} and {ital b{bar b}} bound systems. The wave functions of the bound systems are calculated by a nonperturbative treatment. The results are in better agreement with the experimental data than those predicted using other potential models.

Energy Technology Data Exchange (ETDEWEB)

Potential maximum radiation dose rates over a 1,000-year time horizon were calculated for exposure to the decontaminated concrete removed from the 183-H Solar Evaporation Basins at the Hanford Site, Richland, Washington. The RESRAD computer code, Version 5.62, which implements the methodology described in the US Department of Energy`s manual for developing residual radioactive material guidelines, was used in this evaluation. Currently, the concrete is not being used. Four potential exposure scenarios were developed for the land area where the decontaminated concrete will be stored. In Scenario A industrial use of the land is assumed; in Scenario B recreational use of the land is assumed; in Scenario C residential use of the land is assumed; and in Scenario D (a plausible but unlikely land-use scenario), the presence of a subsistence farmer in the immediate vicinity of the land is assumed. For Scenarios ...

Science.gov (United States)

This paper presents the results of numerical investigations on electron trajectories in different 3D fringing fields of spherical defectors. We start with a chosen set of geometrical values for the electrodes such as radius of curvature, electrode gap, angle between entrance and exit face. We do a first numerical calculation of the spatial potential distribution using a 3D electron optics program based on the finite difference method (FDM). Ray tracing through this potential distribution is then performed using another program, which also gives the potential and the electric field strength along the curved beam path. In the next step we estimate the position and the geometry of the field clamp using Herzog's formulae assuming the entrance of a parallel plate condenser to be a good approximation for the entrance of the spherical deflector in first order. For the consecutive numerical recalculations of ...

Energy Technology Data Exchange (ETDEWEB)

Total (elastic+inelastic) cross sections for electron impact on FeO, Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4} have been calculated in the energy range 20-5000 eV by employing the additivity rule which expresses the total cross section of a molecule as an incoherent sum over the total cross sections of the constituent atoms of the molecule. The electron-atom cross sections have been obtained by a complex optical potential method through partial-wave analysis. The total cross sections for all the oxides of iron exhibit a maximum around 30 eV. The inelastic cross sections are upper bounds to the corresponding ionisation cross sections. Bethe parameters for inelastic cross sections are given. ((orig.))

International Nuclear Information System (INIS)

The concept of the self-focusing plasma lens in various beam-plasma interaction regimes is reviewed. We found that in order for current neutralization to occur, it is only necessary to attain the condition k_p#sigma#_x approx-gt 1, and not k_p#sigma#_y approx-gt 1, for flat beams. This helps to substantially reduce the required plasma density for beamstrahlung suppression. We also report on a recent calculation on the detector backgrounds induced by a plasma lens. It is shown that these backgrounds are within the tolerance of all major components in a NLC-like detector. Finally, one other potential application of plasma lens for #gamma##gamma# colliders is discussed.copyright American Institute of Physics.

Energy Technology Data Exchange (ETDEWEB)

Investigates polarographically determined capacitative curves of Soviet anthracite (Removsk seam) in solutions of KCl, HCl, phenol, propyl, butyl, amyl and hexyl alcohols. The curves were found to be asymmetric and to raise quickly in their cathode range. Their dependence on electrolyte concentration and displacements of their zero charge points were observed. Displacement values of zero charge potential were tabulated for organic compounds. It was possible to calculate displacements taking the non-uniformity of coal structure into account. It was further possible to assess surface interactions between coal and adsorbed molecules from the viewpoint of molecular energy. Orientation of phenol and alcohol molecules on the coal surface is also pointed out. 10 refs.

International Nuclear Information System (INIS)

A series of cyclic voltammetry, chronoamperometry and electrochemical impedance experiments have been carried out in order to investigate the effect of cathode composition and porosity on the electrochemical characteristics of strontium-doped lanthanum, praseodymium and gadolinium cobaltite cathodes. The impedance responses at different electrode potentials of the half cell and symmetric single cell setups are compared and analyzed by the equivalent circuit modeling method. The deconvolution of impedance spectra for single cell cathode and anode reactions contributions based on the results of simultaneous analysis of half cells and symmetric single cells has been made by differential impedance real part vs. ac frequency plot analysis method. Noticeable influence of cathode chemical composition, meso-porosity and macro-porosity on the electrochemical activity of the oxygen electroreduction has been demonstrated. Seeming activation energy values ...

International Nuclear Information System (INIS)

On March 31, 1995, the US Department of Energy filed a draft application for certification of compliance with the US Environmental Protection Agency (USEPA) to show the Waste Isolation Pilot Plant's compliance with the USEPA's environmental standards, making the application the first of its kind. Demonstration of compliance is by performance assessment. This paper is an early review of the performance assessment in the draft application, by the Environmental Evaluation Group, an oversight group. The performance assessment in the draft application is incomplete. Not all relevant scenarios have been analyzed. The calculation of potential consequences often does not use experimental data but rather estimates by workers developing additional data. The final compliance application, scheduled for October 1996 needs to consider additional scenarios, and be fully based on experimental data.

Energy Technology Data Exchange (ETDEWEB)

Angular distributions for the elastic and inelastic scattering of /sup 12/C at 80 MeV by /sup 88/Sr and of /sup 7/Li at 36, 42 and 48 MeV by /sup 54/Fe have been analysed. The optical potentials of /sup 12/C and /sup 7/Li ions are calculated in terms of the alpha-particle and triton optical potentials. Coupled-channels calculations using these potentials are performed. Good fits to the experimental data and the phenomenological calculations are obtained for /sup 12/C projectiles.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Results of an augmented-plane-wave calculation of the positron lifetime and the angular-correlation curves for aluminum, both in the vacancy-free crystal and in the crystal with a vacancy, are presented. The environment of the vacancy was simulated by a face-centered-cubic supercell with a volume 27 times that of the standard primitive unit cell of the Al lattice. The calculated positron-vacancy binding energy is 3.36 eV at room temperature. The temperature dependences of the trapping potential, the positron-vacancy binding energy, and the positron lifetime both in the Bloch state and in the vacancy-trapped state, associated only with the static thermal expansion of the lattice, have been calculated. It is found that the fractional increase in positron lifetime in the Bloch state is only approx.80% of the fractional increase in the volume of the lattice. The ...

Energy Technology Data Exchange (ETDEWEB)

An algebraic formulation of the electromagnetic field in which various quantization procedures can be described was chosen to discuss perturbation calculations. It is shown that the Feynman rules and the second order calculation of the self-energy of the electron can be developed on the basis of the Fermi method of quantization. The algebraic approach clarifies the problems in defining the vacuum and other states which are associated with calculations in terms of field algebra operators. It is demonstrated that the vacuum state defined on the field algebra by Schwinger leads to incorrect results in the self-energy calculation.

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 ...

International Nuclear Information System (INIS)

Using the full potential linearized augmented plane wave (FLAPW) method, the magnetic properties of two-dimensional Ru and Rh monolayers (MLs) on a NiAl(001) surface have been investigated. It has been found that free standing one monolayer Ru and Rh films have ferromagnetic ground state with magnetic moments of 2.21 and 1.48 #mu#_B, respectively. The ferromagnetism is still observed even on a Ni terminated NiAl(001) surface, while no magnetic state is found on an Al terminated surface. The calculated magnetic moments of Ru and Rh atoms are 1.56 and 0.88 #mu#_B, respectively. In addition, an induced magnetic moment in surface Ni is observed. It has been found that the free standing Ru film has perpendicular magnetization to the film surface with a magnetocrystalline anisotropy (MCA) energy of 0.66 meV/atom, while an in-plane MCA energy of 0.37 meV/atom is achieved in Rh film. Very interestingly, we find ...

International Nuclear Information System (INIS)

The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and dynamical studies of ...

International Nuclear Information System (INIS)

Fully relativistic full-potential density functional calculations with an all-electron linearized augmented plane wave plus local orbitals method have been performed to investigate the electronic and geometric structures of atomic carbon, nitrogen, and oxygen chemisorption on the (1 0 0) surface of #delta#-Pu. For all chemisorption processes, the center adsorption site is found to be the most preferred site with chemisorption energies of 7.964, 7.665, and 8.335 eV for the C, N, and O adatoms, respectively. The respective optimized distances of the C, N, and O adatoms from the surface were found to be 0.26, 0.35, and 0.48 A. The work functions and the net magnet moments, respectively, increased and decreased in all cases compared with the bare #delta#-Pu (1 0 0) surface. In particular, the work function shift is largest for the least preferred top site and lowest for the most preferred center site. A detailed analysis of ...

British Library Electronic Table of Contents (United Kingdom)

Previously, we demonstrated that the lithium ion conduction in the perovskite-type manganese fluoride is attributed to counter cation-site vacancy mechanism. The divalent counter cation-doped KxBa(1-x)/2MnF3 was theoretically predicted as the lithium ion conductor in the perovskite-type manganese fluoride. In this study, we considered the oxygen doping for KxBa(1-x)/2MnF3 to realize the higher lithium ion conductivity. It is because lithium ion forms the stronger ionic bond with the doped oxygen anion. The hybrid-DFT calculations were performed to investigate the lithium ion conduction in the oxygen-doped KxBa(1-x)/2MnF3. The calculation results were discussed from the viewpoints of the potential energy curve, electron densities, and charge and spin densities. The effect of the lithium ion...

International Nuclear Information System (INIS)

The masses of the proton-rich nuclides "8"5","8"6","8"7Mo and "8"7Tc have been measured with the Penning trap mass spectrometer SHIPTRAP at GSI. The measured mass excesses of these nuclei deviate from the values of the Atomic Mass Evaluation 2003 by up to 1.6 MeV, indicating a systematic shift of the mass surface in this region compared to previous measurements. A local mass extrapolation based on the new results has been made for the mass range A=80-95. Measured and extrapolated mass values and the derived separation energies have been compared to theoretical mass models. Taking into account the new mass excess values, rp-process network calculations have been performed. Preliminary results show changes in the final abundances for A=86-92 by up to a factor of 30. Results of measurements and calculations are presented, and the issue of a potential Zr-Nb cycle is addressed.

International Nuclear Information System (INIS)

A cell calculation code SLAROM-UF has been developed for fast reactor analyses to produce effective cross sections with high accuracy in practical computing time, taking full advantage of fine and ultra-fine group calculation schemes. The fine group calculation covers the whole energy range in a maximum of 900-group structure. The structure is finer above 52.5 keV with a minimum lethargy width of 0.008. The ultra-fine group calculation solves the slowing down equation below 52.5 keV to treat resonance structures directly and precisely including resonance interference effects. Effective cross sections obtained in the two calculations are combined to produce effective cross sections over the entire energy range. Calculation accuracy and improvements from conventional 70-group cell calculation results ...

Energy Technology Data Exchange (ETDEWEB)

Purpose of this assessment for this town in the Slovak Republic is to develop information on the building sector energy efficiency and improvement potential for use by town management to support decisions on providing energy services to Handlova citizens. Objectives were to characterize baseline space and water heat energy use and efficiency improvement potential in the residential and nonresidential building sectors. Intention was to identify major areas of efficiency improvement potential and cost-effectiveness. Four levels of energy and fuel prices were used. A significant efficiency resource exists in the space and water heating end uses in these building sectors; it amounts to 42% of the total building sector space and water heat energy consumption.

International Nuclear Information System (INIS)

We apply our previously developed first-principles nonlocal pseudopotentials (obtained for all atoms of rows 1--5 in the Periodic Table) to study self-consistently the electronic structure of Si and Ge and the transition metals Mo and W. For Si and Ge we find that the first-principles pseudopotentials yield valence-band states in good agreement with the empirically adjusted pseudopotential and photoemission data, whereas the low conduction-band states appear to be consistently lower in energy due apparently to incomplete cancellation of the self-interaction effects. The calculated x-ray scattering factors (obtained by core orthogonalization of the pseudo-wave-functions) are in excellent agreement with experiment. The self-consistent valence charge density shows a distinct elongation of the covalent bond along the internuclear axis, in good agreement with the experimentally synthesized density. The systematic deviations of the empirical ...

International Nuclear Information System (INIS)

Taking into consideration India's limited reserves of natural and vast reserves of thorium, the fast reactor route holds a great promise for India's energy supply in future. The fast reactor fueled with "2"3"9Pu/"2"3"8U (unused or depleted) produces (breeds) more fissionable fuel material "2"3"9Pu than it consumes. Calculations show that a fast breeder reactor (FBR) increases energy potential of natural uranium by about 60 times. As the fast reactor can also convert "2"3"2Th into "2"3"3U which is a fissionable material, it can make India's thorium reserves a source of almost inexhaustible energy supply for a long time to come. Significant advantage of FBR plants cooled by sodium and their world-wide operating experience are reviewed. There are two main safety issues of FBR, one nuclear and the other non-nuclear. The nuclear issue concerns core disruptive accident and the non-nuclear ...

Energy Technology Data Exchange (ETDEWEB)

By its very nature redox potential measurement is suitable for determining the concentration ratio of a stable redox pair through its interaction with a chemically inert electrode surface but not the absolute concentration of a material. The measured redox potentials agree only rarely with those which are easily calculable theoretically. No individual defined stable redox pair is available in power station water. It is therefore not simply possible to measure definable mixed potentials more precisely. For these reasons redox potential measurement in the power station, as also with other types of water, can no longer be regarded as an indicator, by which it can be established whether oxidizing or reducing materials predominate in the water.

Energy Technology Data Exchange (ETDEWEB)

Several of the issues of the workshop are addressed from the perspective of a potential Space Station developer and energy wheel user. Systems considerations are emphasized rather than component technology. The potential of energy storage wheel (ESW) concept is discussed. The current status of the technology base is described. Justification for advanced technology development is also discussed. The study concludes that energy storage in wheels is an attractive concept for immediate technology development and future Space Station application.

Energy Technology Data Exchange (ETDEWEB)

We used light confinement in optical microcavities to achieve a strong enhancement and a precise wavelength tunability of the electrical photoconductance of nanostructured porous silicon (PS). The devices consist of a periodic array of alternating PS layers, electrochemically etched to have high and low porosities - and therefore distinct dielectric functions. A central layer having a doubled thickness breaks up the symmetry of the one-dimensional photonic structure, producing a resonance in the photonic band gap that is clearly observed in the reflectance spectrum. The devices were transferred to a glass coated with a transparent SnO{sub 2} electrode, while an Al contact was evaporated on its back side. The electrical conductance was measured as a function of the photon energy. A strong enhancement of the conductance is obtained in a narrow (17nm FWHM) band peaking at the resonance. We present experimental results of the angular dependence of this photoconductance ...

International Nuclear Information System (INIS)

A model for coherent fluctuations of the nuclear density including all nucleons in the fluctuation movement is formulated. The wave function of the flucton satisfies a Schroedinger-type equation in which the role of potential energy is played by the energy of the nuclear matter for the A nucleons. The appearance of high-momentum components in the one-particle momentum distribution is related to the volume fluctuations of the density. These fluctuations are supposed to be of coherent nature, i.e. all nucleons are involved in the motion. An explicit expression for the momentum distribution of the nucleons in "1"2C and "1"8"1Ta nuclei is obtained and compared with the phenomenological momentum distribution as well as with the results given by the model of a non-relativistic harmonic oscillator and by the Dirac equation in the self-consistent model. The differential cross-section of 1 GeV proton scattering by the "2"8Si, "3"2S, ...

Energy Technology Data Exchange (ETDEWEB)

The publication presents an outline of the subject of energy management and attempts to test the hypotheses that targeted knowledge management may result in new developments and potentials, and if these are at all desirable. On this basis, a knowledge management system will be developed that may effectively promote developments and potentials in the field of energy management. The tools and fundamentals of energy management are looked into, and the given situation and desired goals are identified by means of an enquiry. This is a scientific study that aims at providing empirical information on the situation and views on the subject of energy management. The analysis, which is supported by an enquiry sheet, is to provide a basis for testing the assumed hypothesis. Further, the potential acceptance and utilization ...

International Nuclear Information System (INIS)

A theoretical study of structural and electronic properties of GeC, SnC and GeSn is presented using the full potential linearized augmented plane wave method. In this approach, the generalized gradient approximation was used for the exchange-correlation potential. Results are given for lattice constant, bulk modulus and its pressure derivative in both zinc-blende and rocksalt structures. Band structure, density of states and band gap pressure coefficients in zinc-blende structure are also given. The results are compared with previous calculations and with experimental measurements.

Energy Technology Data Exchange (ETDEWEB)

Electronic structure calculations frequently invoke periodic boundary conditions to solve for electrostatic potentials. For systems that are electronically charged, or contain dipole (or higher) moments, this artifice introduces spurious potentials due to the interactions between the system and multipole moments of its periodic images in aperiodic directions. I describe a method to properly handle the multipole moments of the electron density in electronic structure calculations using periodic boundary conditions. The density for which an electrostatic potential is to be evaluated is divided into two pieces. A local density is constructed that matches the desired moments of the full density, and its potential computed treating this density as isolated. With the density of this local moment countercharge removed from the full density, the remainder density lacks ...

International Nuclear Information System (INIS)

A calculation method of the X-ray radiation dose (energy of gamma- radiation remains in the range of energies where the mechanism of photoelectric absorption is the prevailing one) absorbed in the absorbers of final thickness is suggested. Calculations of resorption of secondary radiation (characteristic fluorescences) in the substance and kinetic energy of photoelectrons caused by this resorption (it would be enough to consider one or two hard series) are presented. Calculation of the spectrum of photoelectron energy yield in TeInSe_2 monocrystal for 0.1-0.5 A range of X-ray radiation is conducted by the developed methods.

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The purpose of this paper is to inform commercial building designers about an energy analysis tool which can aid them in making appropriate decisions about daylighting. The energy nomographs are an energy design tool which calculate the annual energy consumption of commercial buildings, including lighting, heating, cooling, domestic hot water, fans, pumps, and miscellaneous items. This paper specifically discusses the daylighting aspects of the tool. The calculation procedure is presented with an example to explain how this design tool can be used to make good energy decisions early in the design process.

International Nuclear Information System (INIS)

Belarus has some experience of wood biomass use for power engineering aims. All the necessary equipment, assigned for power production, is manufactured at own enterprises. Belarus possesses great forest resources, total forests area makes up 8 676,1 thou ha. In the average as for the republic the percentage of forests volume makes up 37,7%. The greatest percent of forest scope have Gomel and Vitebsk regions (44,6% and 38,1% correspondingly). Of 118 administrative regions the forest scope above 20% have 15 regions (Rossonskij - 66,8%, Lel'chitsy - 66,5%). The forest scope less 20% is marked on the territory of 8 regions (Nesvizh - 9,6%, Berestovitsy - 14,6%, Zel'venskij - 14,8%). Wood reserves make up 1 437,9 mln. m"3 on the republic's territory. The greatest wood reserves are noted on the territory of Gomel, (323,6 mln. m"3 ), Minsk (286,4 mln. m"3 ) and Vitebsk (272,0 mln. m"3 ) regions. The least ones - Brest and Grodno regions (191, and 158,7 mln. m"3 correspondingly). Reserves of ...

CERN Document Server

The methods of statistical dynamics are applied to a fluid with 5 conserved fields (the mass, the energy, and the three components of momentum) moving in a given external potential. When the potential is zero, we recover a previously derived system of parabolic differential equations, called "corrections to fluid dynamics".

International Nuclear Information System (INIS)

First-principles self-consistent band-structure calculations of potassium titanyl arsenate, KTiOAsO_4 (KTA), have been made using the full potential linearized augmented plane wave (FP-LAPW) method. Total and partial densities of states of the constituent atoms of KTA have been derived. The results obtained show that the valence band of KTA is dominated by contributions of the O 2p-like states, while the Ti 3d-like states are the main contributors into the conduction band of the compound. Additionally, the FP-LAPW calculations have revealed that potassium atoms are highly ionized in KTA. In the present work, the X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) methods were also employed to investigate experimentally the electronic structure of potassium titanyl arsenate. For the mentioned compound, the XES K Ll, Ti L#alpha#, As K#beta#_2 and O K#alpha# bands reflecting the valence K s-, Ti s,d-, ...

Energy Technology Data Exchange (ETDEWEB)

Differential cross sections for 201.5 MeV proton scattering form /sup 88/Sr were measured. From the analysis of the elastic data, no unique optical-model potential could be obtained, but the radial moments are well determined. In a macroscopic analysis of the collective states it turns out that if the optical potential and transition potential are chosen consistently, unambiguous potential deformation lengths can be obtained even though the optical potential is not unique. Taking into account the range and density dependence of the underlying effective interaction reliable neutron deformation lengths can be obtained. For inelastic transitions of various character microscopic distorted-wave calculations with a density-dependent interaction based on the Paris potential were performed. The nuclear structure was taken from one broken-pair ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Early effects of 100 Kilorads of X-rays on muscle cell membrane properties have been measured in sartorius muscles from Leptodactylus ocellatus. Threshold strength for rectangular current pulses increased 10% after irradiation, and action potential propagation velocity decreased 10%. Passive membrane parameters were calculated from potential responses to sub-threshold current pulses, assuming conventional cable theory. Specific membrane conductance increased to 18% after irradiation, membrane capacitance increased 14%, and length constant decreased 10% but membrane time constant was unchanged. Cell diameter decreased 5%, and resting membrane potential decreased 8%. Membrane parameters during an action potential were also evaluated by the phase-plane and current-voltage plot techniques. Irradiation significantly decreased the action potential amplitude, the ...

International Nuclear Information System (INIS)

Based on the single-particle levels given by Nilsson, the intrinsic and effective (with collective effects) level density parameters as a function of the excitation energy for the "1"8"6Os, "1'8"7Ir, "1"8"9Os and "1"9"3Au deformation nuclei have been calculated in the range of the excitation energy up to 150 MeV. The calculated fission probabilities P_f (U) are consistent satisfactorily with the experimental data when a nonadiabatic estimation of the collective effects was used to calculated the nuclear level density parameters.

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.

International Nuclear Information System (INIS)

The isostructural #gamma#-#alpha# phase transition of Ce which occurs at 8 kbar has been studied by means of fully self-consistent (non-muffin-tin potential) linearized-augmented-plane-wave energy band calculations carried out for five different values of the lattice constant. In contradiction to the 4f electron promotional model of the transition, the results yield essentially one 4f electron to be occupied in each phase but with the 4f wave function somewhat less localized, and therefore more bandlike, in the ''collapsed'' #alpha# phase. A singly occupied 4f state is shown to be consistent with the available experimental data. These results strongly support the picture of a 4f localized bold-arrow-left-right itinerant transition at the #gamma#-#alpha# transition and conflict with the promotional model in which some fraction of 4f electrons are transferred to the sd conduction bands. The weaker bonding of the 4f electrons, ...

Energy Technology Data Exchange (ETDEWEB)

Much attention is being paid to electric vehicles from environmental standpoints. One disadvantage of the electric vehicle is that its operative range is short. A means to overcome this difficulty is to use a hybrid battery which consist of a energy battery and a power battery. A method to make it possible to calculate the discharge characteristics of the battery hybrid system taking into account the charging behavior from the energy battery to the power battery is presented. In the proposed method, first the output voltage and the output current of an equivalent battery, which is required for realizing the given operating pattern are calculated. Next, the conduction ratio of the main chopper and the equivalent discharge of electric charge of each battery are calculated. These calculated data are used to calculate the operating range.

Environmental Research Database

DescriptionFossil fuels have a detrimental effect on the environment. They lead to the increase in atmospheric carbon dioxide which has been documented over the last 150 years. In contrast, some sources of renewable energy are near carbon neutral. Renewable energy produced from biomass constitutes such a type of energy and so has many potential advantages. The Energy White Paper (DTI et al., 2003) identifies bioenergy as an important means of meeting the Government's energy and environment objectives, in [continued...

Energy Technology Data Exchange (ETDEWEB)

Washington's geothermal potential is discussed. The following topics are covered: exploration, drilling, utilization, legal and institutional setting, and economic factors of direct use projects. (MHR)

Energy Technology Data Exchange (ETDEWEB)

This document is a collection of spreadsheets detailing in a county by county manner the agricultural crop, agricultural wastes, municipal wastes and industrial wastes in Florida that are potential biomass energy sources.

Energy Technology Data Exchange (ETDEWEB)

The interdependence of thermodynamic parameters, phase equilibria, and electrochemical measurements can be used as a powerful tool in the development of high specific energy cells. These principles were used in the analysis of electrochemical experiments performed on ternary lithium-transition metal-oxide (M = Mn, Fe, and Co) positive electrodes. The free energies of formation of LiMnO/sub 2/, Li/sub 5/FeO/sub 4/, LiFeO/sub 2/, and LiCoO/sub 2/ were found to be -178.21, -399.88, -154.18, and 131.62 kcal/mol at 400/sup 0/C. The electrochemical displacement reactions were found to be reversible in LiCl/KCl molten salt cells over a range of 0.0-3.0 Li equivalents per mol at current densities of 5-15 mA/cm/sup 2/. The equilibrium potential vs. Li was found to be a logarithmic function of the calculated oxygen partial pressure for any tie triangle in which Li/sub 2/O is present, or for any tie triangle ...

International Nuclear Information System (INIS)

Using the full potential linearized augmented plane wave (FLAPW) method, thickness dependent magnetic anisotropy of ultrathin FeCo alloy films in the range of 1 monolayer (ML) to 5 ML coverage on Pd(0 0 1) surface has been explored. We have found that the FeCo alloy films have close to half metallic state and well-known surface enhancement in thin film magnetism is observed in Fe atom, whereas the Co has rather stable magnetic moment. However, the largest magnetic moment in Fe and Co is found at 1 ML thickness. Interestingly, it has been observed that the interface magnetic moments of Fe and Co are almost the same as those of surface elements. The similar trend exists in orbital magnetic moment. This indicates that the strong hybridization between interface FeCo alloy and Pd gives rise to the large magnetic moment. Theoretically calculated magnetic anisotropy shows that the 1 ML FeCo alloy has in-plane magnetization, but the spin reorientation ...

International Nuclear Information System (INIS)

The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by removing the remaining shape approximation to the potential inside the atomic spheres. A new technique for solving Poisson's equation for a general charge density and potential is described and implemented in the film LAPW method. In the resulting full-potential LAPW method (FLAPW), all contributions to the potential are completely taken into account in the Hamiltonian matrix elements. The accuracy of the method: already well known for clean metal surfaces: is demonstrated for the case of a nearly free (noninteracting) O_2 molecule which is a severe test case of the method because of its large anisotropic charge distribution. Detailed comparisons show that the accuracy of the FLAPW results for O_2 exceeds that of existing state-of-the-art local-density linear-combination-of-atomic-orbitals (LCAO)-type ...

Energy Technology Data Exchange (ETDEWEB)

Oil shale resource data are provided for a 1300-square mile area around Farson, Wyoming. The data were derived from analyses of samples from 14 core holes drilled by the US Bureau of Mines and the Department of Energy, plus 4 core holes drilled by private companies. Fischer assay oil yield data for nine stratigraphic resource units are tabulated, correlated, and contoured to provide an assessment of shale oil potential in the area. Oil shale resources in the northeastern part of the Green River Basin occur in the Laney Member and the upper part of the Wilkins Peak Member of the Eocene Green River Formation. A total in-place shale oil resource of 137 billion barrels was calculated for the area. Four stratigraphic resource units have average oil yields of 12 to 20+ gallons per ton within the area of investigation, and in some parts a section up to 275 feet thick averages as much as 15.9 gallons per ton. The thickness of ...

International Nuclear Information System (INIS)

The heavy dependence on nuclear power eventually raise the issues of an efficient utilization of uranium resources, which Korea presently imports from abroad, end of a spent fuel storage. From the viewpoint that sodium-cooled fast Reactors (SFRs) have the potential of an enhanced safety by utilizing inherent safety characteristics, trans-uranics (TRU) reduction and resolving the spent fuel storage problems through a proliferation-resistant actinide recycling. SFRs are sure to be most promising nuclear power operation. The Korea Atomic Energy Research Institute (KAERI) has been developing SFR design technologies since 1997. And nowadays, the preliminary heat balance of the demonstration SFR is calculated. However, in order to verify design condition of the NSSS, it is necessary to set the heat balance and the conceptual design for BOP of the SFR as a part of the SFR design technique development business. Moreover, in order ...

Energy Technology Data Exchange (ETDEWEB)

The U.S. Department of Energy (DOE) Headquarters and associated contractors have developed an IBM PC-based software package that estimates costs, schedules, and public and occupational health risks for a range of mixed-waste management options. A key application of the software package is the comparison of various waste-treatment options documented in the draft Site Treatment Plans prepared in accordance with the requirements of the Federal Facility Compliance Act of 1992. This automated Systems Analysis Methodology consists of a user interface for configuring complexwide or site-specific waste-management options; calculational algorithms for cost, schedule and risk; and user-selected graphical or tabular output of results. The mixed-waste management activities modeled in the automated Systems Analysis Methodology include waste storage, characterization, handling, transportation, treatment, and disposal. Analyses of treatment options identified ...

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

Research on the feasibility of growing cattails as an energy crop is described. The following topics are included: productivity in natural strands, germination requirements for seed, establishing stands by seeding, rhizome dormancy and development, harvesting and stand establishment, and analysis of canopy structure and radiation profiles in a natural community. (MHR)

UK PubMed Central (United Kingdom)

Understanding the pathogenesis of obesity is now more important than ever, given the remarkable world-wide epidemic. This paper explores the potential role of core temperature in energy balance, and...Full Text Available

International Nuclear Information System (INIS)

This paper present the results of a series of calculations made to determine the "2"3"8Pu production potential of several advanced target assembly designs in the Fast Flux Test Facility (FFTF). These calculations show that by using advanced target designs the intimately mix the "2"3"7Np target material with an yttrium hydride moderator, the FFTF has the potential of producing up to 30 kg of high-quality "2"3"8Pu per year.

Energy Technology Data Exchange (ETDEWEB)

The hospitals are important consumers of energy. At the General Hospital of Zone (HGZ) N of the IMSS in Aguscalientes (HGZ N . IMSS Ags.), the diesel oil is the main fuel that is used to satisfy the requirements of thermal energy of the hospital. According to the data collected by this author, this fuel represented in 2001, 75% of its total energy consumption and the 67.9% of its total costs in energy that ascended to $396.131 (December 2001 Dollars) Since this last amount represents an important percentage of the total expenses of the hospital (29.367 million dollars) it is important to determine the technical-economic possibilities of thermal energy saving of the hospital. The HGZ N 1 IMSS Ags. is located in a ampler conglomerate where the IMSS units are located, such as, the regional laundry, the sport unit, the center of social security, the familiar medicine unit N 1 and the ...

International Nuclear Information System (INIS)

The structural, electronic and optical properties of ZnX and CdX (X = Se, Te and S) are studied using density functional theory by the Wien2k package. The energy band gap, real and imaginary parts of the dielectric function, energy loss function, optical absorption coefficient and reflectivity spectra of these compounds are calculated. The Engel-Vosko approach improves the energy band gaps of ZnX and CdX compounds. The calculated optical parameters are in good agreement with available experimental results, particularly in the Engel-Vosko approach. Furthermore the effect of hydrostatic pressure on the energy band gap, the real and imaginary parts of the dielectric function of these compounds is studied. The first and second order pressure coefficient for the energy band gaps, the static dielectric function and the static reflectivity spectra ...

Energy Technology Data Exchange (ETDEWEB)

We develop the formalism of a unified semi-microscopic description of low-energy proton and {alpha}-particle interaction with nuclei. We analyze elastic and inelastic proton scattering at the energy 25.05 MeV and {alpha}-particle scattering at the energy 104 MeV by the {sup 90}Zr nucleus. Information is obtained on differences in the deformation of the proton and neutron distributions. We study the energy dependence of the semi-microscopic {alpha}-particle potential including the energy dependence of the potential geometry.'' We analyze the change in angular distributions of elastically scattered {alpha} particles with increase of energy and the contribution to the scattering cross section from nucleon-nucleon correlations.

International Nuclear Information System (INIS)

High-energy ionizing radiation is a prominent modality for the treatment of many cancers. The approaches to electron dose calculation can be categorized into semi-empirical models (e.g. Fermi-Eyges, convolution-superposition) and probabilistic methods (e.g. Monte Carlo). A third approach to dose calculation has only recently attracted attention in the medical physics community. This approach is based on the deterministic kinetic equations of radiative transfer. We derive a macroscopic partial differential equation model for electron transport in tissue. This model involves an angular closure in the phase space. It is exact for the free streaming and the isotropic regime. We solve it numerically by a newly developed HLLC scheme based on Berthon et al (2007 J. Sci. Comput. 31 347-89) that exactly preserves the key properties of the analytical solution on the discrete level. We discuss several test cases taken from the medical ...

Energy Technology Data Exchange (ETDEWEB)

Equations are derived to calculate the work required for the isentropic compression of a 2-phase fuel-air mixture. Methanol evaporation during compression substantially reduces compression work and improves cycle efficiency and maximum power. Effects of evaporative cooling in the intake manifold are calculated. Energy d. of methanol and gasoline fuel-air charges are compared. The phase equilibrium and evaporation rate are causes of the poor cold-starting performance of methanol.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

This program is designed in order to calculate electricity generation cost by different energy sources, and menu type is adopted for user convenience. This program also graphically shows the share of capital investment cost, O and M cost, and fuel cost. Sensitivity analysis about discount rate can also be carried out by this program, taking into consideration the important role of the discount rate in the generation costs calculation. (Author) 7 refs., 1 fig., 3 tabs.

International Nuclear Information System (INIS)

The implementation of the convolution/superposition method in real dose planning situations is considered. The modelling of photon spectra, the use of patient and treatment setup information, and the calculation of the photon energy released in a patient are detailed. A comparison is made between the approaches of calculating the relative dose directly and using a factor derived from measurements to correct the calculated relative dose. 13 refs.; 7 figs.

International Nuclear Information System (INIS)

Radial distribution functions of liquid sodium and caesium at 100"0C have been calculated by the method of molecular dynamics with interionic pair potentials derived from Heine-Abarenkov-Shaw type model potential. The results were found to be in good agreement with recent experimental data. (Auth.).

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433?479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.

Science.gov (United States)

We describe calculations of the energy loss, range, stopping power, multiple scattering, and other related properties of a high-energy heavy-ion beam at any one of a set of beam line elements. A beam line element (e.g., any beam modification, detection, or control device) is characterized by its thickness, areal density, aperture, and function. The loss of multiply scattered particles to any finite-aperture detector is calculated in the small-angle approximation, and the position of the Bragg peak, as given by particles stopping in the second of two ionization chambers used for Bragg curve measurements, is estimated. A general purpose computer program, PROPAGATE, has been written to allow addition, deletion, and modification of the beam line elements used in the calculation and to provide a convenient means of repeating such calculations for arbitrary beam ...

International Nuclear Information System (INIS)

Dissipation of energy of #beta#"--radiation in polyvinylchloride (PVC) was analyzed. Change of PVC properties at irradiation by beta beams with energy 2,32 MeV was characterized using potentials of inter- and intramolecular interactions as well as Born potential. Correlation between some micro- and macroproperties of PVC was detected and ways of their controlled correction were proposed. (authors)

Energy Technology Data Exchange (ETDEWEB)

There are a multitude of cost centers in the typical coal mine, and almost as many ways to calculate their individual and collective effect on the bottom line. The costs of explosives is, in some ways, very difficult to determine without consideration of drilling, loading, hauling and breaking costs. Saving a nickel in explosive costs, for example, could end up costing a dollar more in crushing expenses. Typically, mines request quotations for explosives products on a weight basis. Were the market one of pure commodities, this would give a valid comparison. However, the energy being purchased often is not considered. The cost of any explosive should be considered in light of the work it can do, not the air it displaces or the price per pound. Consider in essence, the purchase of explosive energy as you would the sale of coal, in terms of dollars per Btu. Recent new developments in explosives technology make the economic ...

Energy Technology Data Exchange (ETDEWEB)

Institutional issues play a critical, but often overlooked, role in the implementation of renewable energy systems. This paper briefly reviews the institutional arrangements involved in deploying renewable energy from both the sender and receiver perspectives, giving the institutional basis principal characteristics, and pros and cons of each institution. It then offers several perspectives on the critical issues facing the deployment of renewable energy systems before offering a number of potential institutional based solutions. (author)

International Nuclear Information System (INIS)

An accurate neutronics calculation of a local thermal environment within a fast reactor presents a major challenge. A method was previously described that used Monte Carlo techniques within a macrocell to make accurate and reasonably efficient design calculations for such an environment. This method is now being further optimized for the calculation of "2"3"8Pu production in the Fast Flux Test Facility (FFTF). Here, it is not only important to determine the "2"3"8Pu production from neutron capture in "2"3"7Np, but also to calculate the production of the contamination isotope "2"3"6Pu from high-energy (n,2n) and (#gamma#,n) reactions. The power of the Monte Carlo method to automatically include geometry and energy self-shielding is retained by optimization using fission neutron source biasing in both space and energy.

Energy Technology Data Exchange (ETDEWEB)

Renewable energy sources have been attracting the attention of a sensitized public since general pollution abatement measures have been taken, since efforts have been going into the protection of the earth atmosphere, the preservation of the vital ozone layer, and the conservation of fossil energy sources, and since nuclear power risks have been recognized and discussed. In addition to wind power and solar energy solid biomass, e.g. wood, wood wastes, vegetable residues and plants cultivated for the purpose of energy production, is among the topical alternatives. Agriculture and silviculture are important end-users of potential decentralized energy supplies and are cut out for supplying biomass for energy utilization. Additional income sources will open up for farmers. Based on these facts this KTBL working paper describes the biomass ...

Energy Technology Data Exchange (ETDEWEB)

The strength of adhesion of polybutylene terephthalate (PBT) on aluminium is investigated using density functional theory-based energy calculations. The aluminium atom is connected to a PBT monomer at different orientations, and total energies are calculated and compared to determine the most stable orientation. The binding is strongest when the Al is oriented at 180{sup 0} to the ester group of the monomer. Using this orientation as a basis, PBT adhesion on Ti, Ag, and Au is also investigated.

International Nuclear Information System (INIS)

The electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

This report issued by the Energy Economics Group and the Laboratory for Energy Systems Analysis at the Paul Scherrer Institute (PSI) analyses current and future trends in the area of energy and mobility on a global, European level as well as with respect to the German-speaking countries Austria, Germany and Switzerland. In a first step, developments with regard to how mobility is achieved and the energy consumption involved are examined and the impact of business-as-usual trends on global carbon dioxide (CO2) emissions and future fuel consumption is discussed. In a second step, the paper outlines potential alternative futures in terms of energy and mobility. Finally, the paper derives and presents recommendations for policy-makers.

Science.gov (United States)

The potential public safety impacts from accidents in conceptual fusion power plants were investigated. Fusion was found to have some potential for accidents, as does any energy generating system. Functions of fusion power plants were identified that possess sufficient potential for an accidental release of toxic materials to the environment. An assessment was made of the impact of the potential accidents and recommendations are included for R and D that will allow incorporation of safety concerns in fusion power plant design. This work was based on a review of information available in conceptual design documents of fusion reactor systems.

International Nuclear Information System (INIS)

The neutron capture cross sections of "2"4"1Am and "2"4"3Am to the ground and isomeric states of "2"4"2Am and "2"4"4Am have been calculated using the Hauser-Feshbach statistical theory of nuclear reactions for energies from thermal to 2 MeV. The parameters for the calculations were obtained from recent data on ("2"4"1Am + n) and ("2"4"3Am + n) or, where necessary, from systematics of actinide nuclei. The calculated values are in good agreement with the sparse experimental data.

British Library Electronic Table of Contents (United Kingdom)

Within the current outlook for sustainable electric energy supply with concomitant reduction in emission of greenhouse gases, accelerated attention is focusing on the long-term development of hydrogen fuel cell and all-electric battery vehicles to provide alternative fuels to replace petroleum-derived fuels for automotive national fleets. The potential varies significantly between large industrially developed nations and smaller industrially developing nations. The requirement for additional electric energy supply from low-specific energy renewable resources and high-specific energy nuclear resources depends strongly on individual national economic, environmental, and political factors. Analysis of the additional electric energy supply required for the two potential large-scale technologie...

Energy Technology Data Exchange (ETDEWEB)

The purpose of this report is to summarize the assumptions, dose factors, consumption rates, and methodology used to evaluate potential radiation doses to persons who may eat contaminated wildlife or contaminated plants collected from the Hanford Site. This report includes a description of the number and variety of wildlife and edible plants on the Hanford Site, methods for estimation of the quantities of these items consumed and conversion of intake of radionuclides to radiation doses, and example calculations of radiation doses from consumption of plants and wildlife. Edible plants on the publicly accessible margins of the shoreline of the Hanford Site and Wildlife that move offsite are potential sources of contaminated food for the general public. Calculations of potential radiation doses from consumption of agricultural plants and farm animal products are made routinely and ...

International Nuclear Information System (INIS)

The research performed during this reporting period (9/1/84 to 8/31/85) resulted in: (1) publication of three papers; (2) presentation of an invited paper to the conference on ''Neutron-Nucleus Collisions: A Probe of Nuclear Structure''; (3) presentation of three contributed papers at APS meetings; and (4) preparation of three manuscripts, two of which are in the process of internal review at the Oak Ridge National Laboratory and are included with this report, and the third is being typed as this report is being written. The publications and papers deal with topics in both nuclear structure and astrophysics. Our efforts to study the systematic behavior of the optical model potential in the energy region just above neutron binding has been made substantially more reliable with the publication of a paper which discusses the accuracy of the methods used to average the measured scattering matrix. In the area of stellar nucleosynthesis, comparison ...

International Nuclear Information System (INIS)

The activation aspects of pure fusion and hybrid fusion technology is studied to assess the radioactive safety of various fusion concepts including tokamak pure fusion, fissile fuel producing hybrid and radio waste transmuting hybrid. The activation properties of breeding, coolant and structural materials in fusion reactors might be quite different from those in fission reactors because of the high energy D-T fusion neutrons from the fusion cores. A study on the involved activation reactions and the uncertainties of the associated nuclear cross-sections is carried. The activation properties of various first wall concepts and blanket concepts are discussed. The radioactive inventory during the operation lifetime and the potential hazard of the radioactive nuclides with respect to near term (reprocessing) and long term (waste disposal) aspects are calculated, with reference to ITER/NET (International Thermonuclear Experiment ...

Energy Technology Data Exchange (ETDEWEB)

The US Department of Energy, Division of Electric Energy Systems, has undertaken to identify the environmental issues and potential impacts associated with the installation of underground electric power transmission systems. This study reports the results of investigations into the advanced cable technologies being considered for future underground applications, as part of the development oriented research program of the Division of Electric Energy Systems. While the technology involves a high level of sophistication, there are relatively few impacts to the environment that are potentially significant, and of these none are inherently non-mitigable. Route planning, system design, and methods of construction and accident response can be pursued in order to minimize impacts where strict constraints are appropriate.

International Nuclear Information System (INIS)

We measured neutron time-of-flight spectra from 90 MeV protons and 140 MeV alpha particles bombarding thin targets of Al, Ni, Zr, and Bi at laboratory angles between 20_0 and 135_0. The low-energy (5 to 45 MeV) portions of the spectra were measured with 5 cm diameter by 5 cm deep NE-213 counters at 1 m flight paths with n-#betta# pulse-shape discrimination. The high-energy (35 to 150 MeV) portions of the spectra were measured with 12.7 cm diameter by 10.2 cm deep NE-102 counters at flight paths of 2.0 to 5.0 m. The proton-induced measured neutron spectra reveal three distinct energy regions: a low-energy evaporation region, a high-energy region dominated by the quasifree scattering process, and an intermediate-energy region dominated by multistep, preequilibrium processes. In the latter two regions, the spectra show strong angular dependence. The alpha-particle ...

Energy Technology Data Exchange (ETDEWEB)

This paper presents a new method for the determination of the energy gap of superconductors. The V/sub max//kT versus ..delta../kT curve was calculated from tunneling theory. The maximum voltage in differential conductance V/sub max/ was measured from the electron tunneling spectrum. From V/sub max//kT and the curve, one can easily calculate the energy gap value ..delta... This method is simple, and the accuracy almost approaches that of the curve-fitting method.

Energy Technology Data Exchange (ETDEWEB)

A new method for determining the energy gap of a superconductor using the maximum in the differential conductance curve of electron tunneling spectrum is given in this paper. The V/sub max//kT versus ..delta../kT curve was calculated from tunneling theory. V/sub max/, the voltage of the conductance maximum, can be measured from electron tunneling spectrum. ..delta../kT can be found from this curve, then the energy gap ..delta.. can be calculated. This method is simple, fast and accurate. The accuracy almost approaches that of the curve fitting method.

International Nuclear Information System (INIS)

Angular distributions of "6Li+"6Li elastic scattering were measured for E_l_a_b=5-40 MeV. An optical model analysis of these data together with older data of "7Li+"7Li elastic scattering taken at E_l_a_b = 8-17 MeV was performed with the aim to search for a ''global'' OM potential which describes elastic scattering in both Li-Li systems in a broad energy range. Both surface and volume absorbing potentials can be found which fulfill this requirement if a linear energy dependence is assumed of the depths of the real as well as the imaginary potential. These depths, if fitted to individual angular distributions, are found to vary in a correlated manner with the beam energy. This is taken as indication of strong coupling between elastic, inelastic, and reaction channels. This is corroborated by the existence of resonances in reaction channels at these ...

Energy Technology Data Exchange (ETDEWEB)

The kinetics of passive film formation on iron in borate buffer solution has been studied at different anodic potentials. The process of film growth has been found to occur in four distinct stages. About 80-90% of the total film thickness formed in 1h grows during the initial two stages which last for only 1-3s (depending upon potential). The electric field strength across the film is not constant but decreases with progressing film growth. The thickness of the film determined ellipsometrically is less than that calculated from the electric charge consumed. The process of anodic film formation is accompanied by the dissolution of iron which occurs over the whole range of potentials.

CERN Document Server

We present a strong-weak coupling duality for quantum mechanical potentials. Similarly to what happens in quantum field theory, it relates two problems with inverse couplings, leading to a mapping of the strong coupling regime into the weak one, giving information from the nonperturbative region of the parameters space. It can be used to solve exactly power-type potentials and to extract deep information about the energy spectra of polynomial ones. We present a strong-weak coupling duality for quantum mechanical potentials. Similarly to what happens in quantum field theory, it relates two problems with inverse couplings, leading to a mapping of the strong coupling regime into the weak one, giving information from the nonperturbative region of the parameters space. It can be used to solve exactly power-type potentials and to extract deep information about the ...

International Nuclear Information System (INIS)

The CERL Code was developed to describe the solution chemistry of the water on the steam generating side of PWR reactors. It is designed to calculate the equilibrium species distribution resulting from the interaction of impurities, corrosion products, and additives in the aqueous solution. It calculates the extent of ion-ion interactions, the precipitation of insoluble species and the amount of solute that partitions into the vapor phase when some of the water evaporates. This knowledge of the bulk phase equilibrium distribution of species, especially the pH should be useful in describing the corrosion processes at the solid liquid boundary. The code does not calculate any changes in oxidation states or any rates of reaction. Therefore, it is incapable of calculating the actual corrosion rates. It is anticipated that it will be used as a subprogram of a larger program that will include the redox ...

Science.gov (United States)

Most K-12 schools could save 25% of their energy costs by being smart about energy. Nationwide, the savings potential is $6 billion. While improving energy use in buildings and busses, schools are likely to create better places for teaching and learning, with better lighting, temperature control, acoustics, and air quality. This brochure, targeted to school facilities managers and business officials, describes how schools can become more energy efficient.

Energy Technology Data Exchange (ETDEWEB)

Beginning with an overview of renewable energy sources including biomass, hydroelectricity, geothermal, tidal, wind and solar power, this book explores the fundamentals of different renewable energy systems. The main focus is on technologies with high development potential such as solar thermal systems, photovoltaics and wind power. This text not only describes technological aspects, but also deals consciously with problems of the energy industry. In this way, the topics are treated in a holistic manner, bringing together maths, engineering, climate studies and economics, and enabling readers to gain a broad understanding of renewable energy technologies and their potential. The book also contains a free CD-ROM resource, which includes a variety of specialist simulation software and detailed figures from the book. (Author)

Energy Technology Data Exchange (ETDEWEB)

The Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) is interested in assessing the potential economic impacts of its portfolio of subprograms on national employment and income. A special purpose version of the IMPLAN input-output model called ImBuild II is used in this study of 20 subprograms of the Weatherization and Intergovernmental Program contained in the EERE final FY 2005 budget request to the Office of Management and Budget on February 2, 2004. Energy savings, investments, and impacts on U.S. national employment and earned income are reported by subprogram for selected years to the year 2030. Energy savings and investments from these subprograms have the potential of creating a total of 228,000 jobs and about $3.1 billion in earned income (2003$) by the year 2030.

International Nuclear Information System (INIS)

A large number of proven technical solutions exists for the use of renewable energies. However, their dissemination is still too slow to meet the political goal of substituting for 8-15% of the primary energy demand in the European Union by the year 2010. Even renewable energy systems (RES) with an economic potential are only partly exploited. The FIRE research project financed partly in the JOULE program analyses and compares the means of financing RES in Austria, Denmark, Germany, the Netherlands, Spain, Sweden and the United Kingdom to put forward best practice recommendations so that renewable energy depolyments will occur at a faster rate. FIRE addresses to politicians, to potential investors and to project-developers. (orig./RHM)

Energy Technology Data Exchange (ETDEWEB)

Energy conservation and local energy deposition are investigated in the context of coupled-particle (i.e., neutrons, gamma rays, and charged particles) transport analysis. For charged particles, the concept of group splitting the 1 = 0 transfer matrix to ensure both particle and energy conservation is introduced. Although these procedures are more complex than those found in the usual neutron or coupled-neutron gamma-ray problem, they yield a consistent approach for the calculation of local energy deposition.

Science.gov (United States)

In this paper, we investigate the effect of the solid surface on the fluid-fluid intermolecular potential energy. This modified fluid-fluid interaction energy due to the inducement of a solid surface is used in the grand canonical Monte Carlo (GCMC) simulation of various noble gases, nitrogen, and methane on graphitized thermal carbon black. This effect is such that the effective interaction potential energy between two particles close to surface is less than the potential energy if the solid substrate is not present. With this modification the GCMC simulation results agree extremely well with the experimental data over a wide range of pressures while the simulation results with the unmodified potential energy give rise to a shoulder near the neighborhood of monolayer coverage and the significant ...

Energy Technology Data Exchange (ETDEWEB)

The authors propose using synthetic aperture radar(SAR) for wind energy mapping of coastal zones. The SAR equipment is located on the European Space Agency ERS-1 and 2 and the RADARSAT satellites. Examples of wind energy maps and evaluations of their applications are given for the Norwegian west coast.

Energy Technology Data Exchange (ETDEWEB)

Storage of thermal energy in aquifers has obvious benefits of saving energy and decreasing the consumption of fossil fuels. However, aquifer thermal energy storage (ATES), which involves groundwater aquifers as the storage medium for heat or chill, impinges on the environment. A literature review of pertinent microbiology publications (Hicks and Stewart, 1988) identified the potential for the interaction of ATES systems and microbiological processes to create a source of infectious diseases and the potential for damage to the environment. In addition, the review identified a potential for microbiological processes to develop conditions that would interfere with the operation of an ATES system. As a result of this research effort, investigators from Finland, Germany, Switzerland, and the United States have examined several ATES systems in operation and have ...

International Nuclear Information System (INIS)

Results of the evaluation of the scattered radiation effect on the image of defects in examined products are given. The formula is suggested which characterizes the image of defects on a scintillation screen as well as accumulation factors are calculated by the Monte-Carlo method. Values of fluctuations of absorbed energy in the screen used for the evaluation of sensitivity are experimentally obtained. The effect of high-energy bremsstrahlung on the defect detection is analyzed.

International Nuclear Information System (INIS)

Photon yields were measured from Cu(110) bombarded by H"+, H_2"+ and He"+ with different energies. The energy dependence is different from previous studies at perpendicular incidence. A calculation of the energy dependence of resonant charge capture into the n=3 state of H is compared with experiment. (G.Q.).

Energy Technology Data Exchange (ETDEWEB)

The characteristics of martensitic transformations in solids are largely determined by the elastic strain that develops as martensite particles grow and interact. To study the development of microstructure, a finite-element computer simulation model was constructed to mimic the transformation process. The transformation is athermal and simulated at each incremental step by transforming the cell which maximizes the decrease in the free energy. To determine the free energy change, the elastic energy developed during martensite growth is calculated from the theory of linear elasticity for elastically homogeneous media, and updated as the transformation proceeds.

Energy Technology Data Exchange (ETDEWEB)

Depth dose distributions for protons in the energy range from 2 to 600 MeV have been calculated by Monte Carlo and analytical methods. The dependence on energy of Maximum Dose Equivalent (MDE), quality factor and isotropic factor recommended for practical use are presented. The problems connected with regulation of maximum permissible proton fluxes are discussed. (author).

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...

Energy Technology Data Exchange (ETDEWEB)

Analyses of pressure vessel damage resulting from neutron irradiation have primarily relied on two-dimensional transport calculations and a spatial-synthesis methodology to accommodate three-dimensional effects in the results of two two-dimensional calculations. In this paper, the authors report on calculations made on the Pool Critical Assembly (PCA) Benchmark, Configuration 12/13, using the three-dimensional, continuous energy Monte Carlo transport code, MCNP, and the three-dimensional, multigroup, diffusion accelerated discrete ordinates transport code THREEDANT. Neutron fluxes and activation rates as determined from these two calculations are compared to each other and to experimental results in the literature. The authors also draw some conclusions on the value of 3D calculations on the interpretation of experimental results.

International Nuclear Information System (INIS)

Purpose/Objective: At present, treatment verification between portal and reference images is performed based on manually-identified features by radiation oncologist, which is both time-consuming and potentially error-prone. There is a demand for the computerized verification procedure in clinical application. The purpose of this study is to develop a computerized portal verification scheme for pelvic treatment fields. Materials/Methods: The automated verification system involves image acquisition, image feature extraction, feature matching between reference and portal images and quantitative evaluation of patient setup. Electronic portal images with a matrix size of 256 x 256 and 12 bit gray levels were acquired using a liquid matrix electronic portal imaging device. Simulation images were acquired by digitizing simulation films using a TV camera into images with 256 x 256 matrix and 8 bit gray levels. Initially a Canny edge detector is applied to identify the ...

Energy Technology Data Exchange (ETDEWEB)

This paper presents an analysis of the applicability of alternative systems for electric vehicle (EV) heating and air conditioning (HVAC). The paper consists of two parts. The first part is a cooling and heating load calculation for electric vehicles. The second part is an evaluation of several systems that can provide the desired cooling and heating in EVs. These systems are ranked according to their overall weight The overall weight is calculated by adding the system weight and the weight of the battery necessary to provide energy for system operation. The system with the minimum overall weight is considered to be the best, because minimum vehicle weight decreases the energy required for propulsion, and therefore increases the vehicle range. Three systems are considered as the best choices for EV HVAC. These are, vapor compression, ice storage and adsorption systems. These systems are evaluated, ...

Energy Technology Data Exchange (ETDEWEB)

As the 20th century draws to a close, both individual countries and the world community face challenging problems related to the supply and use energy. These include local and regional environmental impacts, the prospect of global climate and sea level change associated with the greenhouse effect, and threats to international relations in connection with oil supply or nuclear proliferation. For developing countries, the financial cost of providing energy to provide basic needs and fuel economic development pose an additional burden. To assess the magnitude of future problems and the potential effectiveness of response strategies, it is important to understand how and why energy use has changed in the post and where it is heading. This requires study of the activities for which energy is used, and of how people and technology interact to provide the energy ...

International Nuclear Information System (INIS)

Energy-filtered X-ray photoemission electron microscopy (EXPEEM) is a microscopy technique which has the potential to provide surface chemical mapping during surface chemical processes on the nanometer scale. We studied the possibilities of EXPEEM using a Wien filter type energy analyzer in the high energy X-ray region above 1000 eV. We have successfully observed the EXPEEM images of Au islands on a Ta sheet using Au 3d_5_/_2 and Ta 3d_5_/_2 photoelectron peaks which were excited by 2380 eV X-rays emitted from an undulator (BL2A) at Photon Factory. Our recent efforts to improve the sensitivity of the Wien filter energy analyzer will also be discussed.

British Library Electronic Table of Contents (United Kingdom)

Energy consumption is a perennial issue in the design of wireless sensor networks (WSNs) which typically rely on portable sources like batteries for power. Recent advances in ambient energy harvesting technology have made it a potential and promising alternative source of energy for powering WSNs. By using energy harvesters with supercapacitors, WSNs are able to operate perpetually until hardware failure and in places where batteries are hard or impossible to replace. In this paper, we study the performance of different medium access control (MAC) schemes based on CSMA and polling techniques for WSNs which are solely powered by ambient energy harvesting using energy harvesters. We base the study on (i) network throughput (S), which is the rate of sensor data received by the sink, (ii) fair...

British Library Electronic Table of Contents (United Kingdom)

Summary Dietary fibres are believed to reduce subjective appetite, energy intake and body weight. However, different types of dietary fibre may affect these outcomes differently. The aim of this review was to systematically investigate the available literature on the relationship between dietary fibre types, appetite, acute and long-term energy intake, and body weight. Fibres were grouped according to chemical structure and physicochemical properties (viscosity, solubility and fermentability). Effect rates were calculated as the proportion of all fibre-control comparisons that reduced appetite (n-=-58 comparisons), acute energy intake (n-=-26), long-term energy intake (n-=-38) or body weight (n-=-66). For appetite, acute energy intake, long-term energy intake and body weight, there were cl...

Energy Technology Data Exchange (ETDEWEB)

This document is a collection of spreadsheets detailing in a county by county manner the agricultural crop, agricultural wastes, municipal wastes, and industrial wastes of South Carolina that are potential biomass energy sources.

UK PubMed Central (United Kingdom)

To assemble into functional structures, biopolymers search for global minima through their folding potential energy surfaces to find the native conformation. However, this process can be hindered by...Full Text Available

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

CERN Document Server

We use the semi-classical approximation in perturbative scalar quantum electrodynamics to calculate the quantum correction to the Larmor radiation formula to first order in Planck's constant in the non-relativistic approximation, choosing the initial state of the charged particle to be a momentum eigenstate. We calculate this correction in two cases: in the first case the charged particle is accelerated by a time-dependent but space-independent vector potential whereas in the second case it is accelerated by a time-independent vector potential which is a function of one spatial coordinate. We find that the corrections in these two cases are different even for a charged particle with the same classical motion. The correction in each case turns out to be non-local in time in contrast to the classical approximation.

International Nuclear Information System (INIS)

Electronic structure, volume optimization, bulk moduli, elastic constants, and frequencies of the transversal optical vibrations in LiH, NaH, KH, RbH, and CsH are calculated using the full potential augmented plane wave method, extended with local orbitals, and the full potential linearized augmented plane wave method. The obtained results show some common features in the electronic structure of these compounds, but also clear differences, which cannot be explained using simple empirical trends. The differences are particularly prominent in the electronic distributions and interactions in various crystallographic planes. In the light of these findings we have elaborated some selected experimental results and discussed several theoretical approaches frequently used for the description of various alkali hydride properties.

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

Local-density-approximation calculations of the H-point phonon frequency of molybdenum were carried out using a new superlinearized augmented-plane-wave basis. The calculated frequency is in quite good agreement with experiment. This indicates that the effect of the many-body renormalization of the electronic states near the Fermi energy on this frequency is smaller than previously suggested. The superlinearized basis and its use to circumvent computational difficulties associated with extended semicore states such as the 4p state of molybdenum is described.

International Nuclear Information System (INIS)

In the convolution/superposition algorithm, the energy spectrum should be modified to make the reconstructed dose distribution consistent with the measured dose distribution. The energy spectrum, which gives the best agreement, is not determined uniquely depending on the reconstruction procedure. In this report, the effects of the characteristics of the energy spectrum on the calculation accuracy are evaluated by comparing the percentage depth dose (PDD) and beam profiles for the reference energy spectrum with those calculated for the modified spectrum in order to optimize the energy spectrum modification procedure when 4 and 10 MV X-ray beams are used. Decreasing the number of energy bins brought a larger decrease rate in the computation accuracy than a decrease rate in computation time. Further, the decrease of the ...