Energy Technology Data Exchange (ETDEWEB)

Samples of pure Cu, bronze (Cu-10 wt.% Zn) and brass (Cu-30 wt.% Zn) with stacking fault energies (SFE) of 78, 35, and 14 mJ/m{sup 2}, respectively, were processed by high-pressure torsion (HPT) and by a combination of HPT followed by cold-rolling (CR). X-ray diffraction measurements indicate that a decrease in SFE leads both to a decrease in crystallite size and to increases in microstrain, dislocation and twin densities for the HPT and HPT + CR processed ultrafine-grained (UFG) samples. Compared with processing by HPT, subsequent processing by CR refines the crystallite size of all samples, increases the twin densities of UFG bronze and brass, and increases the dislocation density in UFG bronze. It also decreases the dislocation density in UFG brass and leads to an unchanged dislocation density in UFG copper. The results suggest there may be an optimum stacking fault ...

Energy Technology Data Exchange (ETDEWEB)

Modified Ostwald ripening theory is used to calculate the time evolution of the size distribution function of extended end-of-range defects in ion implanted silicon. This allows the authors to compare the time dependent self-interstitial supersaturation during post-implantation annealing in the presence of Frank-type stacking faults with that in the presence of {l_brace}311{r_brace}-defects. It is shown that the latter affect self-interstitial concentrations up to the point where they dissolve whereas the former are irrelevant from the point of view of transient enhanced diffusion.

Energy Technology Data Exchange (ETDEWEB)

The purpose of this work was to investigate the role of chromium on hydrogen embrittlement of Ni-Cr-Fe alloys and thus to develop a better understanding of the low-temperature stress corrosion cracking (SCC) phenomenon. The effect of chromium on hydrogen embrittlement was examined using tensile tests followed by material evaluation via scanning electron microscopy (SEM) and light optical microscopy. Four alloys were prepared with chromium contents ranging from 6 to 35 wt pct. In the uncharged condition, ductility, as measured by the percent elongation or reduction in area, increased as the alloy chromium content increased. Hydrogen appeared to have only minor effects on the mechanical properties of the low-chromium alloys. The addition of hydrogen had a marked effect on the ductility of the higher-chromium alloys. In the 26 pct chromium alloy, the elongation to failure was reduced from 53 to 14 pct, with a change in fracture mode from mixed ductile dimple and ductile intergranular ...

Energy Technology Data Exchange (ETDEWEB)

The fine scale mechanical probing capability of NI-AFM was used to examine hydrogen interaction with plasticity. To realize this, an electrochemical three electrode setup was incorporated into the NI-AFM. The developed ECNI-AFM is capable of performing nanoindentation as well as imaging surfaces inside electrolytes. The developed ECNI-AFM setup was used to examine the effect of cathodically charged hydrogen on dislocation nucleation in pure metals and alloys. It was shown that hydrogen reduces the pop-in load in all of the tested materials except Cu. The reduced pop-in load can be interpreted as the HELP mechanism. Classical dislocation theory was used to model the homogeneous dislocation nucleation and it was shown that H reduces the activation energy for dislocation nucleation in H sensitive metals which are not undergoing a phase transformation. The activation energy for dislocation nucleation is related to the material specific parameters; ...

Energy Technology Data Exchange (ETDEWEB)

A detailed investigation of the damage formation and evolution in ion-implanted crystalline Si is presented. Deep-level transient spectroscopy has been used to monitor room temperature migration of point defect complexes and evolution from simple point-like defect complexes to defect clusters and even extended defects. Si samples were implanted with Si or He ions with energies of 145 keV-3MeV, to fluences in the range 5x10[sup 8]-5x10[sup 13]cm[sup -2]. The effects of thermal annealing, in the range 100-680 C and 10 min-15h, were also explored. A systematic comparison of defect complexes formation and evolution in ion-implanted or electron-irradiated Si samples with a different impurity content were used to assess the role of impurities (C and O), extra implanted ion and defect clustering on the nature and thermal stability of residual damage. In particular, an interstitial excess directly resulting from the extra implanted ion is shown to dominate the residual ...

Energy Technology Data Exchange (ETDEWEB)

The microstructure of the layers produced by plasma nitriding austenitic stainless steel at different treatment temperatures (400 and 500 C) were studied by transmission electron microscopy (TEM) together with X-ray diffraction (XRD) and scanning electron microscopy (SEM). The results show that the microstructures were composed of 'expanded austenite' ({gamma}{sub N}) and {alpha}(ferrite)+CrN following plasma nitriding at lower and higher treatment temperatures, respectively. The former contains stacking faults and deformed twin substructures, while the latter is made up of colonies displaying a lamellar structure. Kurdjumov-Sachs or Nishiyama-Wassermann orientation relationships between the {alpha} and CrN layer were observed. (orig.)

Energy Technology Data Exchange (ETDEWEB)

Al{sub x}Ga{sub 1{minus}x}P layers (0 {le} x {le} 0.7), with thicknesses of {ge}1 {micro}m were grown on Si (100) wafers by metal-organic molecular beam epitaxy (MOMBE) at 450 C. Transmission electron micrographs of the single crystal films revealed that the microstructure contains stacking faults and microtwins especially near the interface as well as both threading and misfit dislocations. Hardness and elastic modulus were measured using a Nanotest 500 indenter, which can probe the film properties without influence from the substrate. The hardness H varies linearly according to (11.8 {minus} 2.3x) GPa. The absence of alloy hardening is due to the fact that there is no difference in atomic size of Al and Ga. The indentation modulus E/(1{minus}v{sup 2}) decreases monotonically from 136 GPa for GaP to 129 GPa for Al{sub 0.7}Ga{sub 0.3}P and bows only slightly (about 2%) below the straight line of linear interpolation.

International Nuclear Information System (INIS)

To calculate the energy band structures in semiconductors using the relativistic augmented plane wave method, atomic potential and charge density are needed, which are calculated by self-consistent method. Wave function for one electron is determined by solving the Dirac equation with the Hartree-Fock equation based on the slater's exchange potential. The results of calculation for Cu"+"1 are given. (Author).

CERN Document Server

Within the framework of a modified Balitsky-Kovchegov equation, we calculated and provide estimates of non-linear saturation effects expected in the LHC range of energies.

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)

This revised edition discusses a large number of renewable energy systems. Future trends are outlined. Economic efficiency calculations are explained and analyzed. Many exemplary calculations and graphical representations illustrate the various technologies and methods of calculation. This standard book addresses university students, scientists and engineers in research and industry. The accompanying DVD is one of the most extensive compilations of demo programs and full versions for simulation of renewable energy systems, all illustrations of the book in electronic format, additional text and a user-friendly navigation aid. (orig.)

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.

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

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 ...

Energy Technology Data Exchange (ETDEWEB)

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. An initial analytic study was done by Fisch and Rax. Here the authors calculate numerical solutions for the alpha energy transfer and study a range of conditions that are favorable for wave amplification from alpha energy. They 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 ...

British Library Electronic Table of Contents (United Kingdom)

The adhesion strength of polybutylene terephthalate (PBT) on aluminum was investigated using density functional theory-based total energy calculations. Aluminum atom was connected to a PBT monomer at different orientations and total energies were calculated in order to determine the most stable orientation. The energy differences showed that the Al oriented at 180degree with the ester group of the monomer bonded strongly. Using this orientation, the PBT monomer-adhesion on aluminum surface and the aluminum atom adhesion on PBT bulk were also investigated.

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

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.

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.

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 ...

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

It is carried out a calculation to determine the energy spectra of secondary {sup 3}He at small atmospheric depths. It is produced in the spallation reaction of primary helium and heavier nuclei in the overlying atmosphere. It is examined the effect of the geomagnetic cut-off on the spectral shape of the secondary {sup 3}He nuclei. The calculations are being carried out for both solar minimum and maximum periods. Results from these calculations will be presented at the Conference.

International Nuclear Information System (INIS)

Monte Carlo calculations performed to validate observed capture reaction rates of "1"2"9I and "2"3"7Np were in a reasonable agreement with experimental data obtained by the Joint Institute for Nuclear Research. The most significant discrepancy between the measurements and calculations (within a factor of 3) was observed for the NpO_2 sample and Pb target at 3.7 GeV proton energy

International Nuclear Information System (INIS)

The Monte Carlo transport codes LAHET and MCNP were used to calculate energy fluence spectra at three neutron therapy facilities. The results compare very favourably with measured data. Kerma spectra and the ratio of ICRU muscle tissue kerma to A-150 kerma, along the carbon to oxygen kerma ratio, were determined. Absorbed dose rate calculations are in reasonable agreement with measured values. Use of these codes to study modifications to existing therapy beams is briefly discussed. (author).

International Nuclear Information System (INIS)

A method for calculation of absorbed dose distributions in three dimensions for 1-20 MeV photons is presented. The method uses convolution/superposition of photon fluence distributions with energy scattering kernels. Results for Co-60 and X-ray beams in homogeneous and inhomogeneous media are compared with measurements. Good agreement is found between calculations and measurements. 8 refs.; 3 figs.

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)

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)

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)

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.

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)

The formation of the ions charge and energy distributions of the ions slowed down or randomly changing their charge in the collisions with the medium particles are studied. The effect of the ions dispersion by the charge on the Bragg curve form is investigated. The proposed diffusion approximation for the heavy ions kinetic equation makes it possible to determine simply the parameters of the ions distribution by charge and energy on the whole way of the ions motion. The relation between the ions charge distribution characteristics and the cross sections of the ionization-recombination processes is indicated. The ions distributions, calculated in the proposed analytical model, are compared with the results of the numerical calculations. Good agreement between the analytical, numerical and experimental results is obtained

International Nuclear Information System (INIS)

The electromagnetic field due to an air explosion is here studied: neutron and the gamma-rays, generated by neutronic reactions, deposit energy which ionizes atmosphere; recoil electrons are also created by gamma collisions. This data set allows to solve the Maxwell equations which manage the electromagnetic field. The TRIPOLI-2 code studies the coupled neutron-gamma transport in 3D- geometries by the Monte Carlo method. The code has been modified to calculate the photon energy deposited in matter and the recoil electron current created by Compton effect. The method is tested wiht a simple case; then neutron and gamma transport is studied in air kerma, deposited photon energy, electron current are calculated as functions of space and time and the contributions of the different neutronic reactions are separately evaluated. The calculations presented here are only ...

International Nuclear Information System (INIS)

Energy deposition process by relativistic fast electrons produced by ultra-intense laser pulses is discussed. The process is calculated with a two dimensional Fokker-Planck simulation code including binary and collective collisions coupled with electromagnetic field. We focused on Velocity Distribution Function (VDF) dependence in the simulation. The results show that the spread angle of the fast electrons distribution affects energy deposition area and deposited energy is concentrated in the vicinity of the propagation axis of the fast electrons. It may be also suggested that self-pinch effect of a fast electron beam causes large deposition energy. (author)

International Nuclear Information System (INIS)

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.

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)

A new formulation of meson self-energies is introduced for #sigma#,#omega#,#pi#,#rho#,#delta#, and #eta# mesons on the basis of the particle-hole-antiparticle representation. We have studied the difference between the meson self-energy (MSE) of this representation and the MSE of the traditional density-Feynman (DF) representation. It is shown that the new formulation describes exactly the physical processes such as particle-hole excitations or particle-antiparticle excitations, and that, on the other hand, the meson self-energy based on the DF representation includes unphysical components. By numerical calculations, the meson self-energies describing the particle-hole excitations are shown to be close to each other for most of the meson self-energy in low momentum (R<500 MeV) and low energy (R_0<200 MeV). This fact implies that former ...

International Nuclear Information System (INIS)

The new proton-induced nuclear reaction data for C, Fe, Cu and Pb for KASKAD-S have been generated using a newly developed data preparation system. The new system utilizes the NJOY and TRANSX codes to prepare these data with the latest evaluation instead of using the SADCO code with the built-in nuclear data. Auxiliary codes have been developed to help the conversion of TRANSX output into the reaction data for running the KASKAD-S. The basic nuclear data selected for this work are the LA150 and KAERI high energy files whose energy ranges are up to 150 and 250 MeV, respectively. The total neutron yields were calculated using KASKAD-S and the new reaction data up to 250 MeV bombarding energy. The calculations were compared with the measurements or MCNPX calculations when the measured data were absent. The comparison shows that our calculations ...

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...

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)

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.

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 ...

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)

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.

Energy Technology Data Exchange (ETDEWEB)

The report summarizes studies of ground, cable, and aerial logging systems in the Northern Rockies over a 15-year period. It provides nomographs and tables for calculating productivity and a system for comparing energy requirements.

Energy Technology Data Exchange (ETDEWEB)

Because of good thermal insulation of advanced energetic buildings and their good airtightness the air hygiene is insufficient. A normal ventilation behaviour by window opening consumes too much heating energy. A calculation method is shown taking into account a required air change number, flow rate and indoor air quality as thermal comfort in the rooms occupied by different number of persons. (GL)

International Nuclear Information System (INIS)

Momentum- and speed-dependent Maxwell-Boltzmann equilibrium distributions have been derived for tachyons and compared with the corresponding relativistic distributions. This is followed by a calculation of the mean, most probable and r.m.s. speeds for both the relativistic and tachyonic distributions. The ideal gas of tachyons is discussed, including calculations of the internal energy and entropy. In each case a comparison is made with the corresponding bradyonic results. It is found that tachyons behave just like bradyons in the high-temperature limit, but have markedly different behaviour at low temperatures.

International Nuclear Information System (INIS)

The governor model is extended to include the asymmetric shape of nuclei which allows a simultaneous analysis of the data for both the ground state and the #gamma#-vibrational bands in deformed even-even nuclei. The rotationally invariant core is assumed to be a spheroid with an axis of symmetry parallel to the axis of rotation. The calculations are carried out under the assumption of no stretching. The static #gamma#-deformation results are compared with the VMI(ARM) and Krutov values, and the calculated energies are in good agreement with the experimental data.

Energy Technology Data Exchange (ETDEWEB)

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 /sup 16/O + /sup 28/Si where the calculated imaginary potential is very small at low bombarding energies.

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 unified calculation of neutron-rich isotopes in lithium is performed using the hyperspherical basis in which the underlying symmetry of each isotope exhibits a simple structure. The variation of the binding energy as a function of mass number is qualitatively reproduced, and the asymptotic of radial distribution of each isotope decreases exponentially. The form factors of the lithium isotopes are calculated and display diffraction minima. 27 refs., 3 figs., 3 tabs.

International Nuclear Information System (INIS)

The binding energy parameter #lambda# plays an important role in common envelope evolution. Previous works have already pointed out that #lambda# varies throughout the stellar evolution, though it has been adopted as a constant in most of the population synthesis calculations. We have systematically calculated the binding energy parameter #lambda# for both Population I and Population II stars of masses 1-20 M _s_u_n, taking into account the contribution from the internal energy of stellar matter. We present fitting formulae for #lambda# that can be incorporated into future population synthesis investigations. We also briefly discuss the possible applications of the results in binary evolutions.

Energy Technology Data Exchange (ETDEWEB)

An energy control strategy (10) for a hybrid electric vehicle that controls an electric motor during bleed and charge modes of operation. The control strategy (10) establishes (12) a value of the power level at which the battery is to be charged. The power level is used to calculate (14) the torque to be commanded to the electric motor. The strategy (10) of the present invention identifies a transition region (22) for the electric motor's operation that is bounded by upper and lower speed limits. According to the present invention, the desired torque is calculated by applying equations to the regions before, during and after the transition region (22), the equations being a function of the power level and the predetermined limits and boundaries.

Energy Technology Data Exchange (ETDEWEB)

Most of the investigations have a theoretical sustenance based on molecular simulation. The area of application of molecular simulation is very wide, in the Materials Technology Department assigned to the Applied Sciences Management have been treated problems about metallic nano structures, glasses, interfaces, and molecules, to sustain and to explain some of the experimental results. Energy calculations are carried out to determine minimum energy structures, for later on to carry out calculations of some of their properties; as well as the images simulation of Electron microscopy and X-ray diffraction. (Author)

International Nuclear Information System (INIS)

Two methods for computation of real, virtual and quasistationary energy eigenvalues are considered: summation of divergent perturbation series, solution of integral equations for t matrix on physical and nonphysical sheets of energy. The results of energy computation for s-, p- and d-states in potentials of a screened Coulomb type are presented. It is shown on an example of the Yukawa potential that the energy eigenvalues given by both these methods coincide with high precision. As an illustration the positions of real (deuteron) and virtual (singlet deuteron) poles of the np-scattering amplitude are calculated. For Yukawa type potentials the new theorem of symmetry for bound and virtual levels is discussed.

International Nuclear Information System (INIS)

The fusion excitation function for the radioactive projectile "8 Li on a "2"0"8 Pb target has been measured at energies near the Coulomb barrier. The results show that in the considered energy interval, the evaporation of four neutrons is the most relevant mechanism. However, at the highest energies used in the experiment, the Sn channel begins to appear. The preliminary experimental cross sections show a good agreement with the predictions of a simple evaporation calculation using the code PACE. (Author) 16 refs., 1 tab., 4 figs.

International Nuclear Information System (INIS)

Absolute, cascade-free excitation cross sections in an ion have been measured for the resonance "2S#->#"2P transition in Zn"+ using electron-energy-loss and merged electron-ion beams methods. Measurements were carried out at electron energies of below threshold to 6 times threshold. Comparisons are made with 2-, 5-, and 15-state close-coupling and distorted-wave theories. There is good agreement between experiment and the 15-state close-coupling cross sections over the energy range of the calculations.

International Nuclear Information System (INIS)

Neutron and gamma ray energy spectra were measured using an NE-213 scintillator at depths of 7.2, 15.2, and 22.2 cm in a tissue-equivalent phantom which was uniformly irradiated on one face by deuterium--tritium (DT) neutrons. Coupled neutron--gamma ray multigroup discrete-ordinates calculations were performed using semi-infinite slab geometry. These calculations were used to supplement the measured spectra below 1 MeV. Similar calculations were performed to study the perturbation in the phantom due to the detector. The measured and calculated spectra were used to determine the kerma distributions for neutrons and gamma rays at each location. The gamma radiation was determined to contribute more than 10% of the total dose at each depth. The calculated kerma also reveals that a knowledge of the gamma ray spectra below 1 MeV is desirable. Key words: neutron--gamma ...

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

We consider the electron-positron pair creation by a photon in an external constant electric field. The presented treatment is based on a purely quasiclassical calculation of the imaginary part of the on-shell photon polarization operator. By using this approach we find the pair production rate for photons with polarization parallel as well as orthogonal to the external electric field in the leading order in the parameter eE/m"2, which has been recently found by other methods. For the orthogonal polarization we also find a new contribution to the rate, which is leading in the ratio of the photon energy to the electron mass #omega#/m. We also reproduce by a purely geometrical calculation the exponential factor in the probability of the stimulated pair creation at arbitrary energy of the photon.

International Nuclear Information System (INIS)

Electronic energy bands of LaH"2 and NdH"2 have been calculated by the composite-wave variational version of the augmented plane wave method. Crystal potentials for both the hydrides were constructed by the superposition of the atomic potentials of Herman and Skillman. From the band structure data, density of states, joint density of states, optical absorption spectra and Fermi surfaces of these two hydrides have been calculated. The results of the optical studies have been successfully compared with the experimental results of Weaver et al. From the theoretical point of view the present results for LaH"2 have been satisfactorily compared with the results of Gupta et al. Since no theoretical calculation exists for ndH"2, theoretical comparison, in this case, was not possible for NdH"2. (author).

International Nuclear Information System (INIS)

The energy levels scheme of octahedrally coordinated Ni2+ ion in single crystal, powder nano-single crystal, ceramics and glass-ceramics of MgGa2O4 host matrix, has been calculated in the exchange charge model of crystal field. The parameters of the crystal field acting on the Ni2+ ion are calculated from the crystal structure data, after optimization of the geometry of the system. The energy level schemes have been calculated by diagonalization of the crystal field Hamiltonian of this system. The obtained results were compared with experimental data; a good agreement were demonstrated, which confirm the validity of the model and used method.

International Nuclear Information System (INIS)

The first-order relativistic correction to the kinetic energy of an electron, the mass-velocity term, is not bounded from below. It can, therefore, not be used within a variational framework. To overcome this deficiency we developed a method to include the entire relativistic kinetic energy #sq root#(p"2c"2+m_0"2c"4)-m_0c"2 in a spline-augmented plane-wave band calculation. The first results for silver are quite promising, especially for d and p states: The analysis of the energies of the core states as well as of the valence band structure suggests that the energies of d bands are reproduced within 1 mRy. However, the combination of the relativistic kinetic energy with the Darwin term leads to energies which are too low for s-like valence states by 10 mRy. Therefore, the s and d valence band complex is spread out and the Fermi level is ...

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)

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 energy levels, wavelengths, oscillator strengths, Auger rates and level-to-level dielectronic recombination rate coefficients describing dielectronic recombination into excited levels of Ne-like titanium from F-like low-lying states are calculated. Our calculations are based on Dr. R.D. Cowan's semi-relativistic mass-velocity and Darwin corrections are included in the Hamiltonian, and the distorted-wave model is used for the calculation of free electron wavefunctions. In order to set the recombination rate coefficients on a level by level basis, in a manner compatible with detailed level population kinetics modelling of highly-stripped ions in plasma, the dielectronic recombination rate coefficients as a function of free electron temperatures are given in an analytical form, which is not only very convenient in practice, but also hopefully accurate compared with the exactly ...

Energy Technology Data Exchange (ETDEWEB)

The increasing use of quantum-chemical methods in catalysis has underscored the importance of developing and improving semiempirical approximations oriented toward calculations of the total energy and geometry, offering a means for examining intermolecular interactions. In this article a general approach is proposed, using weighting factors for certain regions of distances, i.e., introducing different parametrization into the various regions. A scheme designated MINDO/3-HB is presented as an extension of the MINDO/3 scheme to the region of hydrogen bonds and ..pi..-complexes of olefins with Broensted acid centers (BACs). Examples of cluster calculations are given for the adsorption of ammonia, pyridine, ethylene, and ethanol on the BACs of zeolites. In the example of the process of zeolite synthesis, the possibilities of the cluster approach are discussed for calculations related to the formation of ...

International Nuclear Information System (INIS)

The energy bands and the nature of the conduction electrons have been studied for two intermetallic compounds of dysprosium, i.e, DyZn and DyRh, following the self-consistent augmented-plane-wave (APW) method. The convergence of energy was found to be rapid for DyZn because the shell of 3d"1"0 electrons for Zn lies below the conduction band. The Fermi energies (E/sub F/) have been calculated to be 0.421 and 0.477 Ry for DyZn and DyRh, respectively. The densities and the numbers of conduction electrons inside and outside the APW spheres in each of these compounds are calculated, and it is shown that the character of conduction electrons inside the APW sphere of Dy is predominantly of d type. In order to see the accuracy of these results, self-consistent calculations were done for DyZn for different choices of the exchange potentials, and the ...

International Nuclear Information System (INIS)

In the present work, range and energy loss rate of "2"8Si in four dielectric track detectors viz: Makrofol-KG (MFKG), Makrofol-G (MFG), Triafol-BN (TBN) and LR-115 (cellulose nitrate) have been measured. To calculate these parameters, a curve fitting method was proved to be very useful and easier with more accuracy. (author)

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).

Energy Technology Data Exchange (ETDEWEB)

A general expression for the current-density distribution of a focused-ion beam (FIB) in the chromatic-aberration region is set up in the form of a definite integral. With the experimentally obtained ion-energy distribution of a liquid-metal ion source, its contribution to the FIB current-density distribution is estimated. Calculated results explain the wide-exponential tail of a FIB.

International Nuclear Information System (INIS)

Helical tomotherapy presented many unique dosimetric challenges and solutions during the initial commissioning process, and some of them are presented. The dose calculation algorithm is convolution/superposition based. This requires that the energy fluence spectrum and magnitude be quantified. The methodology for doing so is described. Aspects of the energy fluence characterization that are unique to tomotherapy are highlighted. Many beam characteristics can be measured automatically by an included megavoltage computed tomography imaging system. This greatly improves data collection efficiency.

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)

The half-value thicknesses, linear and mass attenuation coefficients of biological samples such as bone, muscle, fat and water have been measured at 140, 364 and 662keV ?-ray energies by using the ATOMLABTM-930 medical spectrometer. The ?-rays were obtained from 99mTc, 131I and 137Cs ?-ray point sources. Also theoretical calculations have been performed in order to obtain the half-value thicknesses and, mass and linear attenuation coefficients at photon energies 0.001keV-20MeV for bone, muscle and water samples. The calculated value and the experimental results of this work and the other results in literature are found to be in good agreement.

International Nuclear Information System (INIS)

Systematic analysis of the energy level schemes, ground state absorption (GSA) and covalency effects for the Ni"2"+ ion in Ca_3Sc_2Ge_3O_1_2 was performed. The recently developed first-principles approach to the analysis of the absorption spectra of impurity ions in crystals based on the discrete variational multi-electron method (DV-ME) [K. Ogasawara et al., Phys. Rev. B 64, 115413 (2001)] was used in the calculations. As a result, complete energy level schemes of Ni"2"+ and its absorption spectra at both possible crystallographic positions (distorted octahedral Sc"3"+ and tetrahedral Ge"4"+ positions) were calculated, assigned and compared with experimental data. Energies of the charge transfer (CT) transitions for both positions are estimated. Numerical contributions of all possible electron configurations into the calculated energy ...

Energy Technology Data Exchange (ETDEWEB)

Accurate calculations of atomic displacement damage in materials exposed to neutrons require detailed spectra for primary recoil nuclei. Such data are not available from direct experimental measurements. Moreover, they cannot always be computed accurately starting from evaluated nuclear data libraries such as ENDF/B-V that were developed primarily for neutron transport applications, because these libraries lack detailed energy-and-angle distributions for outgoing charged particles. Fortunately, a new generation of nuclear model codes is now available that can be used to fill in the missing spectra. One example is the preequilibrium statistical-model code GNASH. For heating and damage applications, a supplementary code called RECOIL has been developed. RECOIL uses detailed reaction data from GNASH, together with angular distributions based on Kalbach-Mann systematics to compute the energy and angle distributions of recoil ...

Energy Technology Data Exchange (ETDEWEB)

In 1986, the National Research Council, through its Energy Engineering Board, formed the Committee on Geothermal Energy Technology. The committee's study addressed major issues in geothermal energy technology, made recommendations for research and development, and considered cooperative arrangements among government, industry, and universities to facilitate RandD under current severe budget constraints. The report addresses four types of geothermal energy: hydrothermal, geopressured, hot dry rock, and magma systems. Hydrothermal systems are the only type that are now economically competitive commercially. Further technology development by the Department of Energy could make the uneconomical hydrothermal resources commercially attractive to the industry. The economics are more uncertain for the longer-term technologies for extracting energy from ...

International Nuclear Information System (INIS)

The penetration depth and concentration distribution for vanadium ions with low energy implanted into the dry peanut seeds is determined by scanning electron microscope and X-ray energy dispersion spectrometer. The results show that the depth-concentration distribution is a Gaussian distribution with a long tail and the maximum penetration depth is about 13.6 #mu#m for V"+ with 200 keV in cotyledon of the peanut. The experimental result of the implanted V"+ range in the peanut seeds is compared with the calculating value of the TRIM95

Energy Technology Data Exchange (ETDEWEB)

Sigma 1) examines ways to reduce the number of breakdowns of pressure-regulating stations and to minimize the energy consumed in warming the gas, 2) determines the optimal gas temperatures upstream from the pressure reduction, and 3) shows the dependence of energy consumption upon the water dewpoint. The method of calculating the optimal input temperature relies on Mollier's diagram. Tables and nomographs for natural gas and water dewpoint at 19/sup 0/F and 580 psi (-7/sup 0/C and 4 MPa) are useful in achieving the desired gas temperatures. Heating the regulators' control valves is important.

Energy Technology Data Exchange (ETDEWEB)

Secondary deuterium in the atmosphere are produced in interactions by primary cosmic rays. The shape of their energy spectrum depends on the primary cosmic ray spectrum incident at the top of the atmosphere. At high energies, the spectral shape depends on the primary spectrum of helium and heavy nuclei. However, at very low energies, specially below the geomagnetic cut-off, the spectral shape depends on the evaporation and recoil processes and hence almost independent of the spectral shape of the primary radiation. It is undertaken a calculation of the secondary deuterium spectrum at small atmospheric depths at various latitudes and the results will be presented.

Energy Technology Data Exchange (ETDEWEB)

Analytical and numerical calculations are presented for a reflexing electron beam type of collective ion accelerator. These results are then compared to those obtained through experiment. By constraining one free parameter to experimental conditions, the self-similar solution of the ion energy distribution agrees closely with the experimental distribution. Hence the reflexing beam model appears to be a valid model for explaining the experimental data. Simulation shows in addition to the agreement with the experimental ion distribution that synchronization between accelerated ions and electric field is phase unstable. This instability seems to further restrict the maximum ion energy to several times the electron energy.

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)

For the first time, absolute cross sections for electron-impact excitation of a multiply charged ion have been measured using an electron-energy-loss technique. Cross sections for e+Si"3"+(3s "2S_1_/_2)#->#e+Si"3"+(3p "2P_1_/_2_,_3_/_2)-8.88 eV have been measured with an accuracy of #+-#20% (at 90% confidence level) over a narrow energy range (#+-#0.6 eV) about the threshold energy with an energy resolution of 0.2 eV. Results are in good agreement with close-coupling calculations.

Energy Technology Data Exchange (ETDEWEB)

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

International Nuclear Information System (INIS)

The local environment of Ca dopants in barium titanate, BaTiO_3, is investigated by Ca K-edge X-ray absorption near-edge structure (XANES) spectroscopy. In conjunction with experiments, first-principles calculations by two methods are systematically made. The projector-augmented wave (PAW) method is used to optimize the local structure and obtain the formation energy. The augmented plane wave plus local orbitals method is adopted to obtain theoretical XANES spectra. A comparison between experimental and theoretical XANES spectra shows that Ca dopants are located at the Ba"2"+ sites forming Ca"2"+. Formation energy calculations of Ca doped BaTiO_3 by the PAW method also give the same results. The Ca atom in BaTiO_3 is off-centering in comparison with the Ba site in BaTiO_3. The off-centering of Ca atom is newly revealed by the combination of XANES spectroscopy and first-principles DFT ...

British Library Electronic Table of Contents (United Kingdom)

We performed experimental studies on the convolution/superposition method reported in the former companion paper (Iwasaki in Radiol Phys Technol 4, 2011) using 10-MV X-ray beams from open-jaw-collimated fields. The method uses primary and scatter dose kernels formed for energy bins of X-ray spectra reconstructed as a function of off-axis distance. We made a comparison of calculations and measurements in water phantoms and thorax-like phantoms with respect to percentage depth dose curves, tissue???phantom ratio curves, and dose profiles. We made the dose calculation by taking into account the beam-hardening effect with depth and the off-axis radiation-softening effect. We found that the method could be used, in general, for performing accurate dose calculations.

International Nuclear Information System (INIS)

Neutron time-of flight spectra were measured from 90 MeV protons and 140 MeV alpha-particle bombardment of Al, Ni, Zr, and Bi at laboratory angles between 20"0 and 130"0. The proton induced neutron spectra reveal three distinct energy regions; a low energy evaporation region, a high-energy region dominated by quasi-free scattering processes and an intermediate-energy region dominated by multi-step, pre-equilibrium processes. In the latter two regions, the spectra show strong angular dependence. The alpha-induced neutron spectra show these same distinct energy regions plus an exponential fall-off above the beam energy per nucleon. The high-energy portions of the forward-angle neutron and proton cross sections are in ratios consistent with the assumption that single nucleon-nucleon scattering dominates. For heavy-mass targets, the ...

Science.gov (United States)

We report here a new approach to introduce the effect of chemisorption in the Monte-Carlo simulation procedure for studying the segregation behaviour in bimetallic nanoparticles at low pressures. A coordination-dependent pair interaction energy is constructed in terms of partial bond energies and the exchange energy where the partial bond energy can be empirically calculated from the experimental values of dimer energy, the pressure-dependent surface energy and the bulk cohesive energy of the constituent metals. The advantage of this procedure is the ability to estimate the pressure-dependent surface composition of the nanoparticles. The method has been applied to oxygen-adsorbed Pd-Ag systems; and it is found that while Ag segregate in clean particles, at higher oxygen pressures Pd atoms segregate to the surface. The ...

International Nuclear Information System (INIS)

A number of procedures in diagnostic radiology and cardiology make use of long exposures to x-rays from fluoroscopy units. Although numerous studies have been performed to measure or calculate skin dose from these procedures, there have only been a handful of studies to determine the dose to the other organs. This thesis was focused on devising a method to calculate the absorbed dose to underlying tissues and organs. The work was performed in several stages. First, a commercial convolution/superposition-based treatment planning system used in radiation oncology was modified and complemented to make it usable with the low energies of x-rays used in diagnostic radiology. This required generation of energy deposition kernels in the kilovoltage energy range. The kernels were generated using the EGS4 Monte Carlo system of codes and added to the treatment planning system. The treatment ...

British Library Electronic Table of Contents (United Kingdom)

Transverse glow discharges in supersonic air and methane flows are studied both experimentally and theoretically. The experiments show that a diffuse volume discharge filling the whole cross section of the flow can easily be initiated in air, whereas a diffuse discharge in a methane flow shows a tendency to transition into a constricted mode. The electron transport coefficients (mobility and drift velocity) and the kinetic coefficients (such as collisional excitation rates of the vibrational levels of a methane molecule, as well as dissociation and ionization rates) are calculated by numerically solving the Boltzmann equation for the electron energy distribution function. The calculated coefficients are used to estimate the parameters of the plasma and the electric field in the positive co...

Science.gov (United States)

With the help of self-assembly, thermal sintering, selective etching techniques and sol-gel process, the non-close packed (ncp) face-centered cubic (fcc) photonic crystals of titanium dioxide (TiO2) hollow spheres connected by TiO2 cylindrical tubes have been fabricated using silica template. The photonic bandgap calculations indicate that the ncp structure of TiO2 hollow spheres was easier to open the pseudogaps than close packed system at the lowest energy. PMID:17097102

International Nuclear Information System (INIS)

Bulk properties such as the binding energies, r.m.s. radii and deformation parameters are calculated for the light (Z=2-8) even-mass nuclei using deformed relativistic mean-field theory. A comparison between L1, NL1 and NL2 parameter sets are given. The effects of pairing for open-shell nuclei have been investigated. The calculation is extended to nuclei near the proton- and neutron-drip line. Reasonable agreement with experiment is achieved for NL1 and NL2 parameter sets. (orig.).

International Nuclear Information System (INIS)

A ''coherent flucton'' nuclear model is proposed which provides for new possibilities for particle scattering studies on nuclei. It is based on the data of nuclear matter density distribution and is used for calculating the ground state energy of Fermi system terminals. The ''coherent flucton'' model is applied to the distribution of 1 GeV protons on "2"8Si, "3"2S, "4"0Ca, "4"8Ca, "5"8Ni, "2"0"8Pb nuclei. The calculations by the model agree well with experimental data.

Energy Technology Data Exchange (ETDEWEB)

IRAN.LIB is a coupled neutron-gamma cross section library which was developed to be used in the ANISN/PC (CCC-0514/02) code for transport calculations. The library was developed mainly for shielding calculations and it contains these 33 elements most used in shielding materials, such as concrete. IRAN.LIB is a set of six libraries, each having the same elements but a different number of energy groups. In order to use IRAN.LIB in ANISN/PC, this code must be modified. (author).

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

A merged-beams electron-energy-loss technique is described, by which absolute cross sections can be measured for near-threshold electron-impact excitation of multipy charged ions. Results are reported here for absolute total electron-impact excitation cross sections for the O"5"+(2s#->#2p) transition from below threshold to 1.6 eV above threshold. The experimental data are in good agremeent with a seven-state close-coupling calculation throughout the energy range of the experiment. Results agree with calculations showing that more than 90% of the electrons causing excitation are ejected in the backward direction in the center-of-mass frame. This backscattering is shown in both quantum-mechanical and semiclassical calculations. Evidence is observed for high-lying metastable autoionizing states with a lifetime of approximately 0.9 #mu#s which are made to ionize by electron impact.

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Cross sections for some electro- and photoinduced spallation reactions on {sup 27}Al and {sup 51}V are measured in the energy region 130 MeV to 580 MeV with the activation method. Comparisons are made with calculations based on the Dalitz formalism for virtual photon spectra, and Monte Carlo calculations based on a cascade evaporation model, respectively. By use of Bremsstrahlung with end-point energies from threshold to 750 MeV, the yields for photo- production of{pi}{sup -}leading to ground and isomeric states in {sup 197}Hg are measured with the activation method. The activity from the Hg-isotopes were measured after a chemical separation of Hg from the target material. The yields and isomeric ratios are compared with impulse approximation calculations. For the photoproduction of {sup 195m}Hg and {sup 192}Hg from {sup 197}Au, the yields were measured. The experimental mean cross ...

International Nuclear Information System (INIS)

We obtain x-ray absorption near-edge structures (XANES) by solving the equation of motion for the two-particle Green's function for the electron-hole pair, the Bethe-Salpeter equation (BSE), within the all-electron full-potential linearized augmented plane wave method (FPLAPW). The excited states are calculated for the Li K-edge in the insulating solids LiF, Li_2O and Li_2S, and absorption spectra are compared with independent particle results using the random phase approximation (RPA), as well as supercell calculations using the core-hole approximation within density functional theory (DFT). The binding energies of strongly bound excitations are determined in the materials, and core-exciton wavefunctions are demonstrated for LiF.

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption (the Henry constant, the heat and entropy of adsorption) of amino acids associates with acetic, trifluoroacetic, nonafluoropentanoic acids and formamide with different values of hydrogen bond lengths and various conformations on a graphitized thermal carbon black (GTCB) were calculated. The experimental results, as the Henry constant, lnK1, and the differences in the molar Gibbs energies, d(DG), obtained by a high performance liquid chromatography (HPLC) on a carbon sorbent Hypercarb, were compared with the values of thermodynamic characteristics of adsorption of the amino acids on the GTCB surface calculated by a molecular-statistical method. A satisfactory correlation was observed between the experimental and calculated values with a coeffi...

DEFF Research Database (Denmark)

We propose a new physical implementation of spin qubits for quantum information processing, namely defect states in antidot lattices defined in the two-dimensional electron gas (2DEG) at a semiconductor heterostructure. Calculations of the band structure of a periodic antidot lattice are presented. A point defect is created by removing a single antidot, and calculations show that localized states form within the defect, with an energy structure which is robust against thermal dephasing. The exchange coupling between two electrons residing in two tunnel-coupled defect states is calculated numerically. We find results reminiscent of double quantum dot structures, indicating that the suggested structure is a feasible physical implementation of spin qubits.

Energy Technology Data Exchange (ETDEWEB)

The GammeV experiment has constrained the couplings of chameleon scalar fields to matter and photons. Here we present a detailed calculation of the chameleon afterglow rate underlying these constraints. The dependence of GammeV constraints on various assumptions in the calculation is studied. We discuss GammeV-CHASE, a second-generation GammeV experiment, which will improve upon GammeV in several major ways. Using our calculation of the chameleon afterglow rate, we forecast model-independent constraints achievable by GammeV-CHASE. We then apply these constraints to a variety of chameleon models, including quartic chameleons and chameleon dark energy models. The new experiment will be able to probe a large region of parameter space that is beyond the reach of current tests, such as fifth force searches, constraints on the dimming of distant astrophysical objects, and bounds on the variation of the fine ...

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A thermal analysis of the Omnium-G receiver is presented and the technique is shown to be generally applicable to solar thermal receivers utilizing a directly heated thermal mass. The thermal loss coefficient, including reradiation losses, is calculated and shown to agree quite well with the experimentally measured thermal loss coefficient. The rate of heat transfer to the working fluid is also analyzed and the analysis is used to show that the Omnium-G receiver is well matched to the water/steam working fluid because the steam outlet temperature is almost the same as the receiver temperature. A general procedure for calculating receiver performance is presented. With this procedure, the energy delivery to any working fluid, the delivered temperature of the working fluid, and the pressure drop through the receiver can be determined. An example of the calculation is also presented.

Energy Technology Data Exchange (ETDEWEB)

The cross section for np{yields}d{gamma} is calculated at energies relevant to big-bang nucleosynthesis using the recently developed effective field theory that describes the two-nucleon sector. The E1 amplitude is computed up to N{sup 3}LO and depends only upon nucleon-nucleon phase shift data. In contrast, the M1 contribution is computed up to next-to-leading order, and the four-nucleon-one-magnetic-photon counterterm that enters is determined by the cross section for cold neutron capture. The uncertainty in the calculation for nucleon energies up to E{approx}1 MeV is estimated to be (less-or-similar sign)4%. (c) 1999 The American Physical Society.

Energy Technology Data Exchange (ETDEWEB)

The distribution profiles of the chemical structural changes induced in low density polyethylene(LDPE) irradiated by various ion-beams were obtained by micro-FT-IR measurement. Predominant species induced by ion-beam irradiation were trans-vinylene, hydroxyl group and carbonyl group. It was found that the depth profiles of these species resemble the Bragg curve, but they are rather different from the depth profile of the stopping power calculated by TRIM code. The terminal of the chemical reaction was observed to be deeper than the range calculated by TRIM code for all ion particles. This suggests that the energy profile in the region which the energy of the ion particle becomes lower is very complicated. (author).

International Nuclear Information System (INIS)

Neutron energy spectra were measured for two OSURR experimental facilities. The method of multiple foil activation was used with the SAND-II neutron spectrum unfolding code to obtain spectral data for the Central Irradiation Facility and Rabbit tube. Limited data was obtained for the thermal column using only gold foils. Calculations were made of the neutron environment in various locations using the MORSE code. A shift towards higher neutron energies was observed comparing results for LEU and HEU cores. A slight loss in total thermal neutron flux was measured for all positions. Calculational results show reasonable agreement with measured data.

International Nuclear Information System (INIS)

An ytterbium-169 high dose rate brachytherapy source, distinguished by an intensity-weighted average photon energy of 92.7 keV and a 32.015#+-#0.009 day half-life, is characterized in terms of the updated AAPM Task Group Report No. 43 specifications using the MCNP5 Monte Carlo computer code. In accordance with these specifications, the investigation included Monte Carlo simulations both in water and air with the in-air photon spectrum filtered to remove low-energy photons below 10 keV. TG-43 dosimetric data including S_K, D(r,#theta#), #LAMBDA#, g_L(r), F(r,#theta#), #phi#_a_n(r), and #phi#_a_n were calculated and statistical uncertainties in these parameters were derived and calculated in the appendix.

CERN Document Server

The interaction energies between the different types of bases of a single strand of DNA molecule have been calculated. Using these original values of energies the harmonic behavior of a number of base patterns of DNA has been studied. In view of the great interest aroused by the discovery of the role of the telomere segment of the DNA in the replication process and its possible link with the aging process, we have investigated, with simple models, the harmonic behavior of the telomeric pattern of bases as well as the thermodynamic response in the biological system. With these results a conclusion on the probable role of the telomeric pattern on aging has also been drawn. Here the calculated values of harmonic frequencies of the telomeric pattern of bases and of other possible patterns show that the telomeric pattern is associated with the highest vibrational frequency among all patterns of base ...

International Nuclear Information System (INIS)

Measurements of absolute total cross sections for electron-impact excitation of Ar"7"+(3s#->#3p) using a merged-beams electron-energy-loss technique show that near threshold the inelastically scattered electrons are ejected primarily in the backward direction. This unusual angular scattering has not been previously observed for atoms or ions, but may be typical for multiply charged ions. The total cross sections, measured over an energy range to 2.2 eV above threshold, agree with seven-state R-matrix close-coupling calculations. Both close-coupling and distorted-wave calculations also confirm the backscattering observed in these measurements.

International Nuclear Information System (INIS)

Ionizing radiations that differ in number, size, and distribution of energy deposition events might be expected to cause different effects for the same absorbed dose. Furthermore, microdosimetry calculations suggest that large variations in biological effectiveness might be expected for internally deposited alpha-emitting radionuclides for the same absorbed dose, depending upon the specific activity and spatial distribution of the sources in tissue. The study described in this article was designed to demonstrate these phenomena in vitro. Cultured Chinese hamster ovary (CHO-K1 BH4) cells were exposed in vitro to inert, insoluble ceramic microspheres in zirconium dioxide labeled with "2"3"9Pu. The average exit energy of the 5.15 MeV alpha particle was calculated to be 4.3 MeV. Exposure times varied from four to seven hours to achieve the desired dose level.

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.

International Nuclear Information System (INIS)

New values of the factors required to convert the reading of a radiation dosemeter calibrated in terms of air kerma (or exposure) into absorbed dose to water for medium-energy x-radiation were given in a code of practice published by the International Atomic Energy Agency in 1987. These are not considered to possess sufficient support from other sources. It is therefore recommended that the F-factors given or codes of practice should continue to be used. Values of backscatter factors for low-energy x-radiation (below 140 kV) in Supplement 17 of the British Journal of Radiology appear to be inaccurate. New values based on Monte Carlo calculations, and supported by new experimental data, are given for use in radiotherapy. (author).

Energy Technology Data Exchange (ETDEWEB)

We consider low-energy nucleons at next-to-next-to-leading order in lattice chiral effective field theory. Three-body interactions first appear at this order, and we discuss several methods for determining three-body interaction coefficients on the lattice. We compute the energy of the triton and low-energy neutron-deuteron scattering phase shifts in the spin-doublet and spin-quartet channels using Luescher's finite-volume method. In the four-nucleon system we calculate the energy of the {alpha}-particle using auxiliary fields and projection Monte Carlo. (orig.)

British Library Electronic Table of Contents (United Kingdom)

Biodiesel from non-grain feedstock has been considered as one of the proper substitutes for fossil fuels associated with a series of activities emerging in China in order to meet the resource shortage and develop the energy crops. This paper presents an ecological accounting framework based on embodied energy, emergy, and CO2 emission for the whole production chain of biodiesel made from Jatropha curcas L. (JCL) oil. The energy and materials invested in and CO2 emission from the whole process, including cropping, transportation, extraction, and production, are accounted and calculated. Also, EmCO2, the ratio of real CO2 released to the emergy-based sustainability indicator per joule biodiesel, is proposed in this paper to present a new goal function for low-carbon system optimization. Fina...

British Library Electronic Table of Contents (United Kingdom)

Within the framework of the effective-mass approximation, using a variational method, we have calculated the effect of intense laser radiation on the binding energy of the shallow-donor impurities in a Ga1- x In x N y As1- y /GaAs single quantum well for different nitrogen and indium mole concentrations. Our numerical results show that the binding energy strongly depends on the laser intensity and frequency (via the laser dressing parameter) and it also depends on the nitrogen and indium concentrations. Impurity binding energy under intense laser fields can be tuned by changing the nitrogen and indium mole fraction.

Energy Technology Data Exchange (ETDEWEB)

A technique capable of measuring the electron energy fluence spectra in a scattering medium was designed. These measurements were performed by setting a bremsstrahlung conversion target on the surface of a phantom, at an intermediate depth, and at a depth equal to electron mean range. The bremsstrahlung produced by the deceleration of electrons in the target was passed through an air channel in the phantom and passed forward by a pinhole collimator into a Na(Tl) detector. The measured pulse height data were unfolded to correct for the distortion of the spectrometer system by using the FORIST unfolding code. The unfolded bremsstrahlung spectra represent the electron energy fluence spectra convolution with the bremsstrahlung produced in the target. To generate the electron energy fluence spectra, the unfolded bremsstrahlung spectra were deconvoluted by using the MAZE2 unfolding code. CYLTRAN, a coupled electron-photon Monte ...

Energy Technology Data Exchange (ETDEWEB)

It is important for Australia to recognize its own energy market and the opportunity to export its experience to fast developing Asian countries. Energy engineering and management becomes and important problem industrial engineers and managers face. Until 1993 there was no undergraduate or postgraduate course which would provide formal tertiary education in the proper application of energy conservation programs and load demand management techniques. These techniques require a special knowledge of energy systems which is a combination of electrical and mechanical engineering with a significant share of management techniques and economic calculations. This paper presents two teaching initiatives aimed at providing continuing education for engineers and managers. One is the Master of Engineering Sciences in Energy Engineering, developed by the Centre for Electrical ...

CERN Document Server

We analyse how the structure of the inner curst is influenced by the pairing correlations. The inner-crust matter, formed by nuclear clusters immersed in a superfluid neutron gas and ultra-relativistic electrons, is treated in the Wigner-Seitz approximation. The properties of the Wigner-Seitz cells, i.e., their neutron to proton ratio and their radius at a given baryonic density, are obtained from the energy minimization at beta equilibrium. To obtain the binding energy of baryonic matter we perform Skyrme-HFB calculations with zero-range density-dependent pairing forces of various intensities. We find that the Wigner-Seitz cells have much smaller numbers of protons compared to previous calculations. For the dense cells the binding energy of the configurations with small proton numbers do not converge to a well-defined minimum value which precludes the determination of their ...

Energy Technology Data Exchange (ETDEWEB)

The authors investigate the optimisation of solar-heated cavity receivers in which solar energy collected by a paraboloid collector is converted into electrical energy. The focussed solar energy enters the receiver through an aperture to heat the working fluid, which flows inside the receiver tubes and is compressed by the compressor of a gas turbine system, to the highest process temperature. A method of calculating the distribution on the inner receiver surfaces of the solar radiation reflected by the paraboloid collector is presented to begin with. The interchange of radiant energy inside the receiver cavity can be calculated on this basis, including the radiation loads, the temperatures of the inner receiver walls, and the radiative and convective losses. The temperature fields in the tube walls must be known for determining the strength required of receiver ...

International Nuclear Information System (INIS)

Local-density-functional calculations of the energy bands, equilibrium lattice constant, bulk modulus, and cohesive energy have been performed using a newly developed self-consistent full-potential linearized augmented-plane-wave (LAPW) program. Scalar-relativistic effects are included for the band states, and the core-level states are treated fully relativistically in a central-field approximation. Excellent agreement is obtained with the experimental lattice constant and bulk modulus. Generally good agreement is obtained with the scalar-relativistic pseudopotential results of Bylander and Kleinman. In this context, the impact of various approximations used in including the core states is assessed, and these findings are related to the frozen-core and pseudopotential approximations, especially with regard to the treatment of the somewhat overlapping 5p semicore states and their effect on ground-state properties. Comparison ...

International Nuclear Information System (INIS)

Electron-excitation cross sections are reported for the 3s "2S#->#3p "2P(h,k) resonance transition in Mg"+ at energies from threshold (4.43 eV) to approximately 9 times threshold (40.0 eV). The electron-energy-loss merged-beams technique used in these measurements is described in detail. In addition, the method of separating contributions of the elastically scattered (Coulomb) and the inelastically scattered electrons in the present Mg"+ case and previously reported Zn"+ results [Phys. Rev. Lett. 67, 30 (1991)] is described. Comparisons in the experimental energy range are made for Mg"+ with the two five-state close-coupling theoretical calculations carried out herein, and with other published close-coupling, distorted-wave, and semiempirical calculations. The present Mg"+ cross sections and Zn"+ cross sections from earlier measurements are tabulated.

International Nuclear Information System (INIS)

The magnon dispersion curve of Gd metal has been determined from first principles by use of augmented-plane-wave energy bands and wave functions. The exchange matrix elements I (k,k') between the 4f electrons and the conduction electrons from the first six energy bands were calculated under the assumption of an unscreened Coulomb interaction. The results are in good overall agreement with experiment provided the I (k,k') are diminished by a constant scale factor of about 2 which may be caused by screening.

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)

An accelerator experiment was performed using a low-energy antiproton beam to measure antiproton detection efficiency of BESS, a balloon-borne spectrometer with a superconducting solenoid. Measured efficiencies showed good agreement with calculated ones derived from the BESS Monte Carlo simulation based on GEANT/GHEISHA. With detailed verification of the BESS simulation, the relative systematic error of detection efficiency derived from the BESS simulation has been determined to be {+-}5%, compared with the previous estimation of {+-}15% which was the dominant uncertainty for measurements of cosmic-ray antiproton flux.

CERN Document Server

Contrary to some previous claims, we find a sizable instanton contribution to the finite energy sum rule used to extract the value of the strong coupling from the measured $\\tau$ decay widths. It is of the same order of magnitude as standard nonperturbative corrections induced by vacuum quark and gluon condensates. Our result indicates that there might be no hierarchy of power corrections in finite energy sum rules at the scale of $\\tau$ mass. Therefore, the standard nonperturbative corrections do not necessarily improve the accuracy of the theoretical predicition, but can rather be used to estimate an intrinsic accuracy of the pure perturbative calculation, which turns out to be rather high on this evidence, of order one percent.

Science.gov (United States)

We have investigated the stability and catalytic activity of epitaxial overlayers of rhodium on Au(111) and Pd(111). Both surfaces show a strong affinity for hydrogen. We have calculated the energy of adsorption both for a strongly and a more weakly adsorbed species; the latter is the intermediate in the hydrogen evolution reaction. Both the energy of activation for hydrogen adsorption (Volmer reaction) and hydrogen recombination (Tafel reaction) are very low, suggesting that these overlayers are excellent catalysts. PMID:21847482

Energy Technology Data Exchange (ETDEWEB)

In the 1993 running cycle of the Stanford Linear Collider electron spin polarization measurements with a Moller polarimeter at the end of the linac and a Compton polarimeter near the interaction point (IP) indicated a relative polarization loss of up to 20% across the arc. We present calculations of the depolarizing effects where variations in energy, energy spread and transverse emittance as well as changes in orbit and initial spin orientation are taken into account. We compare our results with measurements and conclude that, in standard operating conditions, the relative polarization loss is only 3+/-2%.

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).

Energy Technology Data Exchange (ETDEWEB)

California s major energy utilities and the California Energy Commission (CEC) are seeking to allocate capital that yields the greatest return on investment for energy infrastructure that meets any part of the need for reliable supplies of energy. The utilities are keenly interested in knowing the amount of electrical energy savings that would occur if cool roof color materials are adopted in the building market. To meet this need the Oak Ridge National Laboratory and the Lawrence Berkeley National Laboratory (LBNL) have been collaborating on a Public Interest Energy Research (PIER) project to develop an industry-consensus energy-savings calculator. The task was coordinated with an ongoing effort supported by the DOE to develop one calculator to achieve both the DOE and the EPA objectives for ...

Energy Technology Data Exchange (ETDEWEB)

Oestfold Research has trough the project 'Climate accounts for disposal' for Waste Norway developed a model for calculation of net greenhouse gas emissions at the disposal of various waste types. The model is based on life cycle methodology according to the standard IS014044. This model has been used for plastic packaging in the project by adapting the basic values of specific conditions in the municipality of Fredrikstad. Oestfold Research has made an assessment of greenhouse gas emissions for the recycling and material recovery of plastic packaging from households in the district on assignment from Fredrikstad municipality and compared with the current solution where plastic packaging together with residual waste is used for energy utilisation. Based on the population in Fredrikstad and estimated amount of plastic packaging waste arising per household per year the difference in climate impact was analyzed and these scenarios ...

International Nuclear Information System (INIS)

The principal mathematical tools frequently available for calculations in Nuclear Engineering, including coupled neutron-gamma radiations shielding problems, involve the full Transport Theory or the Monte Carlo techniques. The Multigroup Albedo Method applied to shieldings is characterized by following the radiations through distinct layers of materials, allowing the determination of the neutron and gamma fractions reflected from, transmitted through and absorbed in the irradiated media when a neutronic stream hits the first layer of material, independently of flux calculations. Then, the method is a complementary tool of great didactic value due to its clarity and simplicity in solving neutron and/or gamma shielding problems. The outstanding results achieved in previous works motivated the elaboration and the development of this study that is presented in this dissertation. The radiation balance resulting from the incidence of a neutronic ...

Energy Technology Data Exchange (ETDEWEB)

The CALPHAD (calculations of phase diagrams) method is used to examine the effects of applied magnetic fields on the {alpha}/{gamma} phase boundary in the Fe-Si system in the paramagnetic state. The reported susceptibility data for pure Fe is first re-evaluated. The contributions to the total Gibbs energy of the ferrite ({alpha}) and austenite ({gamma}) from the external fields are calculated based on the Curie-Weiss law and the re-evaluated susceptibility data. The Fe-Si phase diagram on the Fe-rich side as a function of applied field is calculated using the Thermo-Calc(TM) package. With increasing field strength, the {gamma} loop shrinks monotonically; that is, the {alpha}/{gamma}-Fe transition temperature increases while that for {gamma}/{delta}-Fe transition decreases, albeit more slowly. Finally, in conformance with the existing CALPHAD databank, Redlich-Kister polynomials are proposed to account ...

Energy Technology Data Exchange (ETDEWEB)

The technology of minor actinide recycling in fast reactors has been discussed. In CEA, the feasibility study on Am once-through recycling in Phenix core with the moderated target subassemblies (S/As) has been performed. In this report, the evaluation of the heterogeneity effect on the moderated target S/As is described. It was evaluated by the calculation with the continuous energy Monte-Carlo code, MVP, because the accuracy of the deterministic method for the moderated target S/As is unknown. The reaction rates of four isotopes (Am-241, Am-242, Am242m and Am-243) calculated with the heterogeneous model and the homogeneous one were compared. These four isotopes play the important role in Am incineration. It is seen that the homogeneous model overestimates the reaction rates of Am-241 and Am-243 by 4 - 13%, and underestimates those of Am-242 and Am-242m by 13 - 23%. Further investigation made it clear that the ...

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of the C15, or cubic-Laves-phase material, UAl/sub 2/ has been calculated using the linearized relativistic augmented-plane-wave method. The anomalous behavior of the electrical resistivity, specific heat, and magnetic susceptibility can be explained by the fine structure of the density of states near the Fermi energy alone, without the necessity of the introduction of drastic spin fluctuations or many-body effects.

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.

International Nuclear Information System (INIS)

The electron-phonon coupling constant lambda has been calculated for vanadium. The electron energy bands and wave functions were obtained from a model augmented plane wave muffin-tin potential. The electron-phonon matrix elements were evaluated using the rigid-ion approximation and the measured phonon spectra. The results show that lambda is strongly affected by d-f scattering.

CERN Document Server

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

Energy Technology Data Exchange (ETDEWEB)

Microscopic non-energy weighted sum-rules for the total rates of the neutrinoless ..mu..-e conversion process are constructed in the frame of the shell model for closed shell nuclei. For non-closed shell nuclei the relevant rates were obtained by interpolation. Also the contribution of the coherent process to the total ..mu..-e conversion rate is calculated and discussed.

International Nuclear Information System (INIS)

In the framework of the equivalence theorem the one-loop helicity amplitudes and cross section for the double Higgs production process #gamma##gamma##->#HH are calculated. It is shown that the cross section is measurable at TeV #gamma##gamma# colliders and is marginally sensitive to the triple-Higgs variation. (orig.).

International Nuclear Information System (INIS)

Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl_4xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.

Energy Technology Data Exchange (ETDEWEB)

The Si L/sub 2/ /sub 3/VV Auger Lineshape for Pd/sub 4/Si was measured and found to be in good agreement with the self-fold of the Si partial density of states model calculated by Riley et al. Oxygen chemisorption altered both the Auger lineshape and the HeI photoemission spectrum, especially near the Fermi energy.

Science.gov (United States)

By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al{sub 0.5}Ga{sub 0.5}As and In{sub 0.53}Ga{sub 0.47}As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, {ital E}({Gamma}{sub 1{ital c}}) of AlP, {ital E}({ital L}{sub 1{ital c}}) of AlAs, and {ital E}({ital L}{sub 1{ital c}}) of AlSb are discussed and attributed to various experimental ...

Energy Technology Data Exchange (ETDEWEB)

After reviewing some of the mathematical foundations and numerical difficulties facing lattice QCD, I review the status of several calculations relevant to experimental high-energy physics. The topics considered are moments of structure functions, which may prove relevant to search for new phenomena at the LHC, and several aspects of flavor physics, which are relevant to understanding CP and flavor violation.

International Nuclear Information System (INIS)

Muon captures by nucleon pairs via meson-exchange currents produce a high energy excitation tail in heavy nuclei. The muon induced fission by these excitations is calculated in several subactinide nuclei with high threshold fission barriers. The probability for delayed fission ranges from 4 x 10"-"5 to 4 x 10"-"3 for the isotopes considered. (orig.).

International Nuclear Information System (INIS)

Following a recent refurbishment of the NPL Thermal Neutron Facility, the spectrum of the epithermal and fast neutron component of the beam produced by the thermal column of this facility was measured over the energy range from thermal to 20 MeV using a Bonner sphere spectrometry system. The effect of the presence of epithermal and fast neutrons on the measured response of commonly-used thermal neutron dosemeters was calculated. (author)

Energy Technology Data Exchange (ETDEWEB)

The kinetics of the reaction of zirconium phosphates with carbon tetrachloride in sodium and potassium chloride melt as well as the effect of temperature, gas flow, solubility and weight of the solid phase of the phosphate, and stirring of the melt on the chlorination rate has been studied. The kinetic parameters of the reaction (rate constants, activation energy, etc.) have been calculated.

Energy Technology Data Exchange (ETDEWEB)

Heat pumps can be installed indoors or outdoors. H. Klein investigates which site would be preferable for a one-family house. Advantages and disadvantages with regard to necessary space, noise, maintenance and repair are discussed; heat losses in both cases of installations are dealt with. Mathematic calculation shows that indoor installation is safer and more adequate in terms of energy savings.

Science.gov (United States)

The defect-induced electron lifetime and energy-gap anisotropy effects on the T/sub c/ of the A-15 compounds are examined. A self-consistent model calculation demonstrates that the various defect dependences of T/sub c/ can be qualitatively understood in terms of the electron-lifetime effect.

International Nuclear Information System (INIS)

The total radiation rate, angular distribution of the emitted energy and photon correlations of the cooperative spontaneous radiation from two atoms with different resonance frequencies and spontaneous decay rates are calculated. Contrary to the case of two identical atoms oscillations appear in the total radiation rate and the spatial distribution of the total number of emitted photons differs from the single-atom radiation pattern. The effect of the dipole-dipole near-field interaction on the time evolution of the atomic system is discussed. (author).

Energy Technology Data Exchange (ETDEWEB)

A comment on the letter by T. Kajino and A. Arima Phys. Rev. Lett. 52, 739 (1984).

International Nuclear Information System (INIS)

A computerised curve-fitting method was developed to calculate the trapping parameters in LiF TLD-100 and LiF:Mg, Ti. After irradiation in a "6"0Co field and with X rays emitted at different voltages the TL process is best described by first-order kinetics. A dependence of the trapping parameters on both the concentration of Mg and Ti and photon energy was detected. (author).

Energy Technology Data Exchange (ETDEWEB)

This report documents the development and use of the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. The model, developed in a spreadsheet format, estimates the full fuel- cycle emissions and energy use associated with various transportation fuels for light-duty vehicles. The model calculates fuel-cycle emissions of five criteria pollutants (volatile organic compounds, carbon monoxide, nitrogen oxides, sulfur oxides, and particulate matter measuring 10 microns or less) and three greenhouse gases (carbon dioxide, methane, and nitrous oxide). The model also calculates the total fuel-cycle energy consumption, fossil fuel consumption, and petroleum consumption using various transportation fuels. The GREET model includes 17 fuel cycles: petroleum to conventional gasoline, reformulated gasoline, clean diesel, liquefied petroleum gas, and electricity ...

Energy Technology Data Exchange (ETDEWEB)

The Energy Nomographs are a quick, simple-to-use tool for designing energy conscious lighting systems. Many assumptions and simplifications have been incorporated in the tool which may decrease its accuracy. However, the tool is accurate enough for use in Schematic Design, where design decisions have the largest impact on end energy use. It is not intended to replace all other energy design tools but rather supplement them when quicker decisions must be made. An important aspect of this analysis technique is its graphic procedural quality. As each design decision is made in the course of completing the nomograph procedure, the effects of each may be seen graphically and alternatives chosen without having to complete the entire process. This will have time but, more important, will act as an educational tool to the designer. As more calculations are completed, the user realizes how ...

International Nuclear Information System (INIS)

This report is the user's manual of seismic system reliability analysis code SECOM2 (Seismic Core Melt Frequency Evaluation Code Ver.2) developed at the Japan Atomic Energy Research Institute for systems reliability analysis, which is one of the tasks of seismic probabilistic safety assessment (PSA) of nuclear power plants (NPPs). The SECOM2 code has many functions such as: Calculation of component failure probabilities based on the response factor method, Extraction of minimal cut sets (MCSs), Calculation of conditional system failure probabilities for given seismic motion levels at the site of an NPP, Calculation of accident sequence frequencies and the core damage frequency (CDF) with use of the seismic hazard curve, Importance analysis using various indicators, Uncertainty analysis, Calculation of the CDF taking into account the effect of the correlations of responses and ...

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.

CERN Document Server

Anti-proton and positron Galactic cosmic ray (GCR) spectra are among the key targets for indirect detection of dark matter (DM). The boost factors, corresponding to an enhancement of the signal|linked to the clumpiness properties of the dark matter distribution|, have been taken as high as thousands in the past. The dramatic impact of these boost factors for indirect detection of antiparticles, for instance with the PAMELA satellite or the coming AMS-02 experiment, asks for their detailed calculation. We take into account the state-of-the-art results of high resolution N-body dark matter simulations to calculate the most likely energy dependent boost factors|linked to the GCR propagation properties|, for anti-protons and positrons. The results from extreme, but still possible, configurations of the clumpy dark matter component is also discussed. Starting from the mass and space distributions of sub-halos, the anti-proton ...

Energy Technology Data Exchange (ETDEWEB)

The objective of this work is to study greenhouse gas emissions and sinks and their greenhouse impact as a function of time. The greenhouse impact is expressed in terms of global average radiative forcing, which measures the perturbation in the Earth`s radiation budget. Radiative forcing is calculated on the basis of the concentration changes of the greenhouse gases and the radiation absorption properties of the gases. It takes into account the relatively slow changes in the concentrations due to natural removal and transformation processes and also allows a comparison of the impact of various greenhouse gases and their possible control options as a function of time. In addition to the applications mentioned above, the anthropogenic greenhouse gas emission histories of Nordic countries have been estimated, and the radiative forcing caused by them has been calculated with REFUGE. The dynamic impact of aerosol emissions both from the global point ...

International Nuclear Information System (INIS)

Autoionizing and Auger transitions in atomic manganese and samarium have been experimentally investigated by observation of the ejected electrons in the energy region 0 to 40 eV following electron impact excitation with incident beams in the energy range 15-500 eV. Seventy-four spectral features are tabulated for manganese and a number of new assignments have been made based on pseudo-relativistic Hartree-Fock calculations and quantum defect analysis. A similar study of samarium reveals only a number of broad features in the ejected-electron energy range 8-10 eV. Three features have been observed consistently in the ejected-electron spectrum of samarium and assigned by comparison with previous work. (author).

International Nuclear Information System (INIS)

Based on the X-ray crystallographic data of Tc-complexes for brain imaging agents, geometry optimizations in vacuo of TcO-BAT, TcO-MAMA, TcO-L, L-ECD, TcN-BAT and TcN-L, L-ECD complexes are performed with Hartree-Fock method and LANL 2 DZ basis set of G98W program. Then solvation free energy for each Tc-complex mentioned above in water is calculated by polarizable continuum method (PCM) including models of CPCM and IEFPCM. The results show that solvation free energy of Tc-complex is not only an indicator of lipophilicity but also one of the important factors that influence the brain uptake

International Nuclear Information System (INIS)

This study is an attempt to measure the quantities of elements in a composite by irradiating that composite with #gamma#-rays of various energies and detecting the transmitted radiation through the composite. A previous knowledge of the number of the elements and their attenuation coefficients is required. The quantities are calculated by solving the matrix of a linear system of equations. A computer program was developed to select the best combinations of the available energies. Five criteria were established to determine these energy combinations: (i) the determinant of the attenuation coefficient matrix; (ii) the condition number, (iii) the number of times the solution of the matrix leads to acceptable results; (iv) the indicator, (a new concept); (v) the standard deviations of the results. The intended application of this technique in medicine is to measure the bone mineral content of the skeleton. ...

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)

Research preformed consisted of: (1) publication of an experimental paper for the n + {sup 40}Ar high resolution total cross section and submission of a theoretical paper dealing with the prediction of the average parameters deduced from the the data; (2) preliminary R-matrix analysis of the neutron total cross section data for the n + {sup 208}Pb systems, up to an energy of 1.7 MeV; (3) completed the analysis of neutron total cross section of data for n + {sup 54}Fe up to energy of 500 keV, with j{sup {pi}} values confirmed, in most cases, by differential scattering data; (4) analysis of total cross section data for the n + {sup 88}Sr system up to an energy of 175 keV; (5) development of a graphical interface for the code RFUNC, used to calculate the differential scattering cross sections, for comparison with measurements.

Energy Technology Data Exchange (ETDEWEB)

The national energy research programme LVIS-2000: Future Building Services is concerned with the control of energy use and indoor climate in buildings of the future. The projects were presented at a one day seminar arranged by the Laboratory of Heating and Ventilation of the Technical Research Centre in Finland which is coordinating the programme. The presentations at the seminar were: Impurity emission from materials, Building materials and indoor air quality, analysis of organic compounds in indoor air, effect of the return air, effect of the return air on health and comfort, electric heating as an indoor climate factor, calculations of air flows in ventilated rooms, effect of energy saving measures on hospital hygiene, application of modern aerosol measurement technique on indoor climate research.