UK PubMed Central (United Kingdom)
The minimum energy conformations of dApdA have been examined for their suitability as buildings blocks of the single stranded coil form of polynucleotides. Calculations of the characteristic ratio C...Full Text Available
1978-09-01
Conformational analysis of ethyl azidoformate
International Nuclear Information System (INIS)
A conformational analysis of ethyl azidoformate (EAF) has been carried out by the MINDO/3 quantum-chemical method. It has been shown that EAF exists in the form of two conformers differing with respect to rotation around the C-N bond. Complete optimization of the geometry has been carried out for both conformers. It has been found that the transoid conformation is planar and that the cisoid conformation is nonplanar. The height of the rotation barrier is 15.4 kcal/mole. The optimal geometry of the transition state has been calculated. It has been noted that a significant role in the mechanism of the conformational transition is played by the inversion of a nitrogen, which facilitates the transition. The results of the calculation have been confirmed by IR-spectroscopic data.
UK PubMed Central (United Kingdom)
The X-ray crystallographic structural determinations of synthetic estrogens and antiestrogens provide reliable information on the global minimum energy conformation of these molecules or a local minimum...Full Text Available
1985-09-01
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...
2011-01-01
Tertiary structure prediction of C-peptide of ribonuclease A by multicanonical algorithm
We have performed multicanonical Monte Carlo simulations of C-peptide of ribonuclease A. It is known by CD and NMR experiments that this peptide has high alpha-helix content in aqueous solution and that the side-chain charges of residues Glu-2$^-$ and His-12$^+$ play an important role in the stability of the alpha-helix. In order to confirm these experimental implications, we have used two analogues of the peptide with charged and neutral side chains of Glu-2 and His-12. Two dielectric functions, distance-dependent and constant, are considered to study the effects of solvent contributions. All the simulations were started from random initial conformations. Various thermodynamic quantities such as average helicity as a function of residue number and average distance between two side chains as a function of temperature are calculated. The results are found to be in accord with the implications of CD and NMR experiments. The ...
1998-01-01
Conformal radiation therapy: technical requirements and clinical applications
International Nuclear Information System (INIS)
Conformal radiation therapy represents a considerable and attractive challenge in oncology. Its aim is mainly to improve local control by increasing the dose with an acceptable rate of complications. This work overviews the world literature on this subject. The technical and theoretical requirements are highlighted. These requirements include a precise definition of the target volume by digital imaging (essentially CT scan), but also clear view of the target volume and the organs at risk, a specific collimation of the beam, 3-D dose calculations, optimization procedures, and a rigid immobilization of the patient with verification of his position. Moreover, the clinical applications of conformal radiation therapy are reviewed and discussed. (authors). 80 refs., 1 tab.
1995-01-01
A dose computation algorithm used in MLC conformal treatment
International Nuclear Information System (INIS)
A dose calculation algorithm for MLC based conformal radiotherapy is described in this paper. The algorithm is formulated by the coordinate of MLC leaves. Verification on the algorithm is made by comparing the dose distributions generated by this algorithm with that generated by a Differential Convolution Superposition algorithm for various regular and irregular fields. The results demonstrate that the present algorithm has suitable accuracy and high computational efficiency, thus it could be useful for the treatment planning process in MLC based conformal radiotherapy, where the workload for interactively or automatically designing the shapes of MLC is heavy. (authors)
2007-12-01
The effects of applied magnetic fields on the {alpha}/{gamma} phase boundary in the Fe-Si system
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 ...
2006-07-21
Conjugate variables in quantum field theory: the basic case
Within standard quantum field theory of one scalar field we define operators conjugate to the energy-momentum operators of the theory. They are singled out by calculational simplicity in Fock space. In terms of the underlying scalar field they are non-local. We establish their algebra where it turns out that time and space operators do not commute. Their transformation properties with respect to the conformal group are derived. Solving their eigenvalue problem permits to reconstruct the Fock space in terms of the eigenstates. It is indicated how Paulis theorem may be circumvented. As an application we form the analogue of S-matrices which yields information on the structure of the underlying spacetime. Similarly we define fields and look at their equations of motion.
2010-01-01
Diffractive deep inelastic scattering in an AdS/CFT inspired model: A phenomenological study
International Nuclear Information System (INIS)
The analytical treatment of the nonperturbative QCD dynamics is one of the main open questions of the strong interactions. Currently, it is only possible to get some qualitative information about this regime considering other QCD-like theories, as, for example, the N=4 super Yang-Mills theory, where one can perform calculations in the nonperturbative limit of large 't Hooft coupling using the anti-de Sitter space/conformal field theory (AdS/CFT). Recently, the high energy scattering amplitude was calculated in the AdS/CFT approach, applied to deep-inelastic scattering and confronted with the F_2 HERA data. In this work we extend the nonperturbative AdS/CFT inspired model for diffractive processes and compare its predictions with a perturbative approach based on the Balitsky-Kovchegov equation. We demonstrate that the AdS/CFT inspired model is not able to describe the current F_2"D"("3") HERA data and ...
2010-05-01
Conformal field theories via Hamiltonian reduction
International Nuclear Information System (INIS)
Constraining the SL(3) WZW-model we construct a reduced theory which is invariant with respect to the new chiral algebra W_3"2. This symmetry is generated by the stress-energy tensor, two bosonic currents with spins 3/2 and the U(1) current. We conjecture a Kac formula that describes the highly reducible representation for this algebra. We also discuss the quantum Hamiltonian reduction for the general type of constraints that leads to the new extended conformal algebras. (orig.).
1991-01-01
Nearly Conformal QCD and AdS/CFT
Energy Technology Data Exchange (ETDEWEB)
The AdS/CFT correspondence is a powerful tool to study the properties of conformal QCD at strong coupling in terms of a higher dimensional dual gravity theory. The power-law falloff of scattering amplitudes in the non-perturbative regime and calculable hadron spectra follow from holographic models dual to QCD with conformal behavior at short distances and confinement at large distances. String modes and fluctuations about the AdS background are identified with QCD degrees of freedom and orbital excitations at the AdS boundary limit. A description of form factors in space and time-like regions and the behavior of light-front wave functions can also be understood in terms of a dual gravity description in the interior of AdS.
2005-08-08
Laser-Assisted Single-Molecule Refolding (LASR)
UK PubMed Central (United Kingdom)
To assemble into functional structures, biopolymers search for global minima through their folding potential energy surfaces to find the native conformation. However, this process can be hindered by...Full Text Available
2010-09-22
Architectural design criteria for f-block metal ion sequestering agents. 1998 annual progress report
Energy Technology Data Exchange (ETDEWEB)
'The objective of this project is to provide a means to optimize ligand architecture for f-block metal recognition. The authors strategy builds on an innovative and successful molecular modeling approach in developing polyether ligand design criteria for the alkali and alkaline earth cations. The hypothesis underlying this proposal is that differences in metal ion binding with multidentate ligands bearing the same number and type of donor groups are primarily attributable to intramolecular steric factors. They propose quantifying these steric factors through the application of molecular mechanics models. The research involves close integration of theoretical and experimental chemistry. The experimental work entails synthesizing novel ligands and experimentally determining structures and binding constants for metal ion complexation by series of ligands in which architecture is systematically varied. The theoretical work entails using electronic structure ...
1998-12-31
Energy Technology Data Exchange (ETDEWEB)
The surface coverage of amorphous silica gels used in the synthesis of silica polyamine composites has been investigated by 29Si NMR. By diluting the polyamine anchor silane, chloropropyl trichlorosilane, with methyl trichlorosilane it was found that surface coverage could be markedly improved for a range of amine polymers after grafting to the silica surface. The commensurate decrease in the number of anchor points and increase in the number of free amines results in an increase in metal capacity and/or an improvement in capture kinetics. Solid state CPMAS-13C NMR has been employed to investigate the structure and metal ion binding of a series of these composite materials. It is reported that the highly branched polymer, poly(ethyleneimine) (PEI) exhibits much broader 13C NMR resonances than the linear polymers poly(allylamine) (PAA) and poly(vinylamine) (PVA). These results are understood in terms of the low energy conformations ...
2006-03-01
q-Virasoro algebra, q-conformal dimensions and free q-superstring
International Nuclear Information System (INIS)
The commutators of standard Virasoro generators and fields generate various representations of the centreless Virasoro algebra depending on a conformal dimension J of the field in question (J is related to the Bargmann index of SU(1,1) generated by L_m, m=0,#+-#1). We introduce the notion of q-conformal dimension for various oscillator realizations of q-deformed Virasoro (super)algebras proposed earlier. We use the field theoretical approach introduced recently in which the q-Virasoro currents L"#alpha# (z) are expressed as Schwinger-like point-split normally ordered quadratic expressions in elementary fields. We extend this approach and probe the elementary fields A(z) (the q-superstring coordinate, momentum and fermionic field) and their powers by the q-Virasoro generators L"#alpha#_m (i.e. we calculate the commutators [L"#alpha#_m,A(z)]) and show that to all of them can be assigned just the standard non-deformed ...
1996-12-01
W algebras in conformal quantum field theory
International Nuclear Information System (INIS)
A new algorithm for constructing extensions of the Virasoro algebra by primary fields - so called W-algebras - is presented. With the help of REDUCE all W-algebras with one further primary field up to conformal dimension 9 were calculated. Furthermore I give an interpretation of the obtained results using fusion algebras. The algorithm could also be used for constructing extensions of the super Virasoro algebra which play an important role in superstring theory. I present two examples here. With using representation theory of Kac-Moody algebras I determine the minimal field content of the super W_3 algebra. Finally, the general coset models SU(2)_kxSU(2)_m/SU(2)_k_+_m and SU(3)_kxSU(3)_m/SU(3)_k_+m are investigated. I calculate which W-algebras are likely contained in these cosets. (orig.).
1991-01-01
Density functional calculations of 15N chemical shifts in solvated dipeptides
International Nuclear Information System (INIS)
We performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from protein GB3. The conducting polarizable continuum model was employed to include the effect of solvent in the density functional calculations. Our calculations for NMA show that the augmentation of the polarizable continuum model with the explicit water molecules in the first solvation shell has a significant influence on isotropic 15N chemical shift but not as much on the chemical shift anisotropy. The difference in the isotropic chemical shift between the standard ?-sheet and ?-helical ...
2008-06-01
Positive energy representations of the conformal quantum algebra
International Nuclear Information System (INIS)
The positive-energy unitary irreducible representations of the q-deformed conformal algebra #delta#C_q = U_q(su(2,2)) are obtained by appropriate deformation of the classical ones. When the deformation parameter q is N -th root of unity, all these unitary representations become finite-dimensional. For his case we discuss in some detail the massless representations, which are also irreducible representations of the q-deformed Poincare subalgebra of #delta#C_q. Generically, their dimensions are smaller than the corresponding finite-dimensional non-unitary representation of su(2,2), except when N = 2 modul h + 1, where h is the helicity of the representations. The latter cases include the fundamental representations with h = #+-#1/2. (author). 10 refs.
1985-05-22
Cosmologies with quasiregular singularities. II. Stability considerations
Energy Technology Data Exchange (ETDEWEB)
The stability properties of a class of spacetimes with quasiregular singularities is discussed. Quasiregular singularities are the end points of incomplete, inextendible geodesics at which the Riemann tensor and its derivatives remain at least bounded in all parallel-propagated orthonormal (PPON) frames; observers approaching such a singularity would find that their world lines come to an end in a finite proper time. The Taub-NUT (Newman-Unti-Tamburino)-type cosmologies investigated are R/sup 1/ x T/sup 3/ and R/sup 3/ x S/sup 1/ flat Kasner spacetimes, the two-parameter family of spatially homogeneous but anisotropic Bianchi type-IX Taub-NUT spacetimes, and an infinite-dimensional family of Einstein-Rosen-Gowdy spacetimes studied by Moncrief. The behavior of matter near the quasiregular singularity in each of these spacetimes is explored through an examination of the behavior of the stress-energy tensors and scalars for conformally coupled and ...
1985-03-15
Cosmologies with quasiregular singularities. II. Stability considerations
International Nuclear Information System (INIS)
The stability properties of a class of spacetimes with quasiregular singularities is discussed. Quasiregular singularities are the end points of incomplete, inextendible geodesics at which the Riemann tensor and its derivatives remain at least bounded in all parallel-propagated orthonormal (PPON) frames; observers approaching such a singularity would find that their world lines come to an end in a finite proper time. The Taub-NUT (Newman-Unti-Tamburino)-type cosmologies investigated are R"1 x T"3 and R"3 x S"1 flat Kasner spacetimes, the two-parameter family of spatially homogeneous but anisotropic Bianchi type-IX Taub-NUT spacetimes, and an infinite-dimensional family of Einstein-Rosen-Gowdy spacetimes studied by Moncrief. The behavior of matter near the quasiregular singularity in each of these spacetimes is explored through an examination of the behavior of the stress-energy tensors and scalars for conformally coupled and minimally coupled, ...
Energy Technology Data Exchange (ETDEWEB)
The computer aided coal structure construction system is proposed, and a computational construction example is presented. The coal structure construction engine of this system fabricates molecular structure by connecting fragments sequentially inputted through a user interface. The best structure candidate is determined using construction knowledge and partial energy evaluation every addition of one fragment, and this process is subsequently repeated. The structure evaluation engine analyzes the 3-D conformation candidate by molecular dynamics, and evaluates the conformation by determining the energy value of an optimum structure. As an example, this system was applied to construction of coal molecular structure based on the actual data of partial structure composed of 26 structures from 2l kinds of aromatic cluster structures, 27 bonds from 2 kinds of bridged bonds, and 16 groups from 2 kinds of ...
1996-10-28
International Nuclear Information System (INIS)
Complete text of publication follows. We have published on the spectroscopic study on the formation of a 1:1 molecular complex of fluoranthene (F) with benzene (B) in cyclohexane and estimated the equilibrium constant K(F-B) (0.147 dm3 mol-1 at 298 K), enthalpy change DH(F-B) (-5.9 kJ mol-1) and entropy change DS(F-B) (-36 JK-1mol-1 at 298 K) for this complex formation (S. Enomoto et al., Bull. Chem. Soc. Jpn., 75 (2002) 689-693). In this study, the electronic absorption spectra have been observed for the fluoranthene derivatives in cyclohexane-benzene and/or cyclohexane-ethanol mixed solvents to investigate the weak intermolecular interactions between fluoranthene derivatives and benzene or ethanol. The electronic absorption spectra of 3-aminofluoranthene (AF) in the mixed solvent mentioned above showed isosbestic points with varying B and ethanol (E) concentrations. These observations indicate that AF forms a 1:1 molecular complex with B or E, the K(AF-B) and K(AF-E) values for these ...
2009-09-03
W_3-algebra constructed from the SU(3) parafermion
International Nuclear Information System (INIS)
A construction of a W_3-algebra for the SU(3) parafermion is proposed. The details of the calculation are given, in which the Z-algebra technique is used instead of the popular free field realization. We find that the W_3-algebra is closed at level k=3, and the central charge of the underlying algebra is different from known series of Fateev-Lykyanov W-algebras; as a by-product we get a field T"("4")(z), whose conformal dimension is 4, and is null at k=3. ((orig.)).
8730-01-01
Calculation of some energetic parameters of astatine compounds
International Nuclear Information System (INIS)
... astatine complexes astatine compounds coulomb energy effective charge
Experimental parameterization of an energy function for the simulation of unfolded proteins
DEFF Research Database (Denmark)
The determination of conformational preferences in unfolded and disordered proteins is an important challenge in structural biology. We here describe an algorithm to optimize energy functions for the simulation of unfolded proteins. The procedure is based on the maximum likelihood principle and employs a fast and efficient gradient descent method to find the set of parameters of the energy function that best explain the experimental data. We first validate the method by using synthetic reference data, and subsequently apply the algorithms to data from nuclear magnetic resonance spin-labeling experiments on the Delta 131 Delta fragment of Staphylococcal nuclease. A significant strength of the procedure that we present is that it directly uses experimental data to optimize the energy parameters, without relying on the availability of high resolution structures. The procedure is fully general and can be ...
2008-01-01
International Nuclear Information System (INIS)
Macrophage differentiation antigen associated with complement three receptor function (Mac-1) belongs to #beta#_2 subfamily of integrins that mediate important cell-cell and cell-extracellular matrix interactions. Biochemical studies have indicated that Mac-1 is a constitutive heterodimer in vitro. Here, we detected the heterodimerization of Mac-1 subunits in living cells by means of two fluorescence resonance energy transfer (FRET) techniques (fluorescence microscopy and fluorescence spectroscopy) and our results demonstrated that there is constitutive heterodimerization of the Mac-1 subunits and this constitutive heterodimerization of the Mac-1 subunits is cell-type independent. Through FRET imaging, we found that heterodimers of Mac-1 mainly localized in plasma membrane, perinuclear, and Golgi area in living cells. Furthermore, through analysis of the estimated physical distances between cyan fluorescent protein (CFP) and yellow fluorescent protein (YFP) fused ...
2006-08-04
Waste Sampling and Characterization Facility (WSCF). Maintenance Implementation Plan
Energy Technology Data Exchange (ETDEWEB)
This Maintenance Implementation Plan has been developed for maintenance functions associated with the Waste Sampling and Characterization Facility (WSCF). This plan is developed from the guidelines presented by Department of Energy (DOE) Order 4330.4A, Maintenance Management Program (DOE 1990), Chapter II. The objective of this plan is to provide baseline information for establishing and identifying WHC conformance programs and policies applicable to implementation of DOE order 4330.4A guidelines. In addition, this maintenance plan identifies the actions necessary to develop a cost-effective and efficient maintenance program at WSCF.
1993-07-01
The influence of tertiary structural restraints on conformational transitions in superhelical DNA.
UK PubMed Central (United Kingdom)
This paper examines theoretically the effects that restraints on the tertiary structure of a superhelical DNA domain exert on the energetics of linking and the onset of conformational transitions. The...Full Text Available
1987-12-10
SQUID Eddy Current Technique Applying Conformable Eddy ...
... Accession Number : ADD344580. Title : SQUID Eddy Current Technique Applying Conformable Eddy Current Probes,. Corporate Author : ...
Four small puzzles that Rosetta doesn't solve
A complete macromolecule modeling package must be able to solve the simplest structure prediction problems. Despite recent successes in high resolution structure modeling and design, the Rosetta software suite fares poorly on deceptively small protein and RNA puzzles, some as small as four residues. To illustrate these problems, this manuscript presents extensive Rosetta results for four well-defined test cases: the 20-residue mini-protein Trp cage, an even smaller disulfide-stabilized conotoxin, the reactive loop of a serine protease inhibitor, and a UUCG RNA tetraloop. In contrast to previous Rosetta studies, several lines of evidence indicate that conformational sampling is not the major bottleneck in modeling these small systems. Instead, approximations and omissions in the Rosetta all-atom energy function currently preclude discriminating experimentally observed conformations from de novo models at atomic resolution. ...
2011-01-01
Calculation of the energy band structures in semiconductors by RAPW method
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).
Algebraic description of perturbation theory in quantum electrodynamics
Energy Technology Data Exchange (ETDEWEB)
An algebraic formulation of the electromagnetic field in which various quantization procedures can be described was chosen to discuss perturbation calculations. It is shown that the Feynman rules and the second order calculation of the self-energy of the electron can be developed on the basis of the Fermi method of quantization. The algebraic approach clarifies the problems in defining the vacuum and other states which are associated with calculations in terms of field algebra operators. It is demonstrated that the vacuum state defined on the field algebra by Schwinger leads to incorrect results in the self-energy calculation.
1982-01-01
Saturation effects at LHC energies
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.
2005-01-01
Non-destructive Imaging of Individual Bio-Molecules
Radiation damage is considered to be the major problem that still prevents imaging an individual biological molecule for structural analysis. So far, all known mapping techniques using sufficient short wave-length radiation, be it X-rays or high energy electrons, circumvent this problem by averaging over many molecules. Averaging, however, leaves conformational details uncovered. Even the anticipated use of ultra-short but extremely bright X-ray bursts of a Free Electron Laser shall afford averaging over 10^6 molecules to arrive at atomic resolution. Here we present direct experimental evidence for non-destructive imaging of individual DNA molecules. In fact, we show that DNA withstands coherent low energy electron radiation with deBroglie wavelength in the Angstrom regime despite a vast dose of 10^8 electrons/nm^2 accumulated over more than one hour.
2009-01-01
Development of a fine and ultra-fine group cell calculation code SLAROM-UF for fast reactor analyses
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 ...
2006-08-01
Conformity, political participation, and economic rewards: The case of Chinese private entrepreneurs
British Library Electronic Table of Contents (United Kingdom)
Using institutional and resource dependence theories as the conceptual framework, this study identifies three forms of conformity?political, economic, and social?that can affect the level of private entrepreneurs? formal political participation in a transition economy. Data from a 2004 national-wide survey of 3,012 private firms in China show that political conformity (indicated by membership in the ruling party), economic conformity (amount of taxes paid), and social conformity (amount of charity donated) are each antecedents to private entrepreneurs? formal political participation. Moreover, political conformity negatively moderates the relationship between social conformity and private entrepreneurs? formal political participation?for party members, a lesser amount of charity is associa...
2011-01-01
Variational approach to nuclear matter
International Nuclear Information System (INIS)
We calculated the energies of asymmetric nuclear matter at zero and finite temperatures with the cluster variational method. At zero temperature, the expectation value of the two-body Hamiltonian composed of the kinetic energies and the AV18 two-body forces is calculated with the Jastrow wave function in the two-body cluster approximation. The obtained two-body energy is in good agreement with the result with the Fermi Hypernetted Chain (FHNC) calculation by Akmal et al. The energy caused by the UIX three-body forces is treated somewhat phenomenologically so that the total energy reproduces the empirical saturation point. Furthermore, the parameters included in the three-body energy are readjusted so that the Thomas-Fermi (TF) calculations with use of the obtained ...
2010-12-01
Unified description of bradyons and tachyons based on the dynamical SO(4,2) symmetry
International Nuclear Information System (INIS)
Firstly the so called 'conformal relativity' in the 6-dimensional conformal space is formulated. In particular the concept of dilatational degree of freedom - scale - is introduced. The special conformal transformations are interpreted as the transformations connecting dilatationally moving frames (and objects). The ideas, similar to those by Kaluza and Klein, can be applied to the conformal space to obtain a unification of gravitation and electromagnetism. Lastly the conformal symmetry is extended to imaginary scales and to negative scales. Particles having imaginary scales are shown to be tachyons, whilst particles with negative scales correspond to antiparticles. (Auth.).
Higher spin symmetries and w_#infinity# algebra in the conformal affine Toda model
International Nuclear Information System (INIS)
As recently shown the conformal affine Toda models can be obtained via hamiltonian reduction from a two-loop Kac-Moody algebra. In this paper we propose a systematic procedure to analyze the higher spin symmetries of the conformal affine Toda models. The method is based on an explicit construction of infinite towers of extended conformal symmetry generators. Two fundamental building blocks of this construction are special spin-one and -two primary fields characterizing the conformal structure of these models. The connection to the algebra of area preserving diffeomorphisms on a two-manifold (w_#infinity# algebra) is established. (orig.).
1992-05-01
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.)
2007-07-01
An iterative filtered backprojection inverse treatment planning algorithm for tomotherapy
International Nuclear Information System (INIS)
Purpose: An inverse treatment planning algorithm for tomotherapy is described. Methods and Materials: The algorithm iteratively computes a set of nonnegative beam intensity profiles that minimizes the least-squares residual dose defined in the target and selected normal tissue regions of interest. At each iteration the residual dose distribution is transformed into a set of residual beam profiles using an inversion method derived from filtered backprojection image reconstruction theory. These 'residual' profiles are used to correct the current beam profile estimates resulting in new profile estimates. Adaptive filtering is incorporated into the inversion model so that the gross structure of the dose distribution is optimized during initial iterations of the algorithm, and the fine structure corresponding to edges is obtained at later iterations. A three dimensional, kernel based, convolution/superposition dose model is used to compute dose during each iteration. Results: Two clinically ...
1995-07-15
High-energy reaction cross sections of light nuclei
Energy Technology Data Exchange (ETDEWEB)
The high-energy reaction cross sections of Li and Be isotopes are calculated using a simplified Glauber model and densities constrained by the empirical binding energies. We find excellent agreement with experiment, reproducing the large increase for the most neutron-rich nuclei.
1989-03-01
Estimation of X-rays dose in the crystals of final thickness
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.
A spatial damage energy distribution calculation for ion-implanted materials
International Nuclear Information System (INIS)
A simple method allowing easy calculation of the spatial damage energy distributions for ion-implanted materials is presented. The direct procedure takes account of the variation with depth of the lateral spreading of implanted ions, as well as the effects of energy transport by the recoiling target atoms. The subsequent computer program LUPIN-3D provides three-dimensional damage distributions and allows the construction of damage energy mappings. Various substrates of technological interest are investigated and several fields of application of the calculation are envisaged. The density of cascades can therefore be determined and heterogeneous amorphization models can be implemented. (orig.).
1989-01-01
Energy nomographs as a design tool for daylighting
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.
1984-01-01
The ribosome and the mechanism of protein synthesis
Energy Technology Data Exchange (ETDEWEB)
In virtually all forms of life on earth, proteins in each cell are made according to a genetic blueprint, in the form of DNA. The translation of copies of this genetic blueprint (in the form of messenger RNA) into polypeptides is performed on the ribosome, a highly complex molecular machine composed of RNAs and proteins. To this end, special adaptor molecules called transfer RNAs are lined up by the ribosome in the sequence dictated by the genetic code, such that the amino acids carried by these molecules can be linked into a polypeptide. Several cofactors are involved in these processes, some of which require energy freed up by GTP hydrolysis. Although the ribosome was discovered more than 50 years ago, its structure has only been solved recently by X-ray crystallography. Another technique, cryo-electron microscopy, is starting to contribute toward our understanding of the ribosome's function, by portraying its conformational changes ...
2006-05-01
Matrix models as CFT: Genus expansion
International Nuclear Information System (INIS)
We show how the formulation of the matrix models as conformal field theories on a Riemann surfaces can be used to compute the genus expansion of the observables. Here we consider the simplest example of the Hermitian matrix model, where the classical solution is described by a hyperelliptic Riemann surface. To each branch point of the Riemann surface we associate an operator which represents a twist field dressed by the modes of the twisted boson. The partition function of the matrix model is computed as a correlation function of such dressed twist fields. The perturbative construction of the dressing operators yields a set of Feynman rules for the genus expansion, which involve vertices, propagators and tadpoles. The vertices are universal, the propagators and the tadpoles depend on the Riemann surface. As a demonstration we evaluate the genus-two free energy using the Feynman rules.
2010-10-01
British Library Electronic Table of Contents (United Kingdom)
Wood usage for cooking and heating is still very relevant in most developing countries especially those of sub-Saharan Africa and many parts of Asia. Therefore, sustainable means of generating it for this and other purposes are necessary bearing in mind the influence of indigenous knowledge/users perspective on any production method regarding success and sustenance. In conformity with this view, questionnaires were administered on 240 respondents in 8 rural communities of Akinyele and Ido Local Government Areas (LGAs) of Oyo State, Nigeria, to elicit information on species that can be used as fuelwood, preferred by the respondents for incorporation into and/or retention in agroforestry plots, out of which 179 (i.e. 75% of the total number of questionnaires administered) were successfully r...
2009-01-01
Effect of strongly coupled plasma on the spectra of hydrogenlike carbon, aluminium and argon
A detailed study has been performed for estimating the orbital energies, positions and shifts of the Lyman lines of C5+, Al12+ and Ar17+ under strongly coupled plasma with a view to understand such line positions and shifts obtained in laser produced plasma experiments. The effect of strongly coupled plasma has been treated within the Ion Sphere (IS) model. Both non-relativistic and relativistic methods have been used for estimating the spectral properties. Theoretical estimates with IS model of the plasma are in conformity with the results of laser plasma experiments on these highly stripped ions. The experimental data for the systems have also been compared with the theoretical estimates using Debye screening model of the plasma with spatial confinements which gives additional restrictions to the wave functions at finite boundaries.
2008-01-01
Elephant's foot phenomenon in liquid storage tanks
Energy Technology Data Exchange (ETDEWEB)
This paper presents a method for analyzing the seismic response of a flat bottomed cylindrical liquid storage tank to vertical earthquake excitation. Here, vertical earthquake acceleration is considered to correspond to an increase in the density of a stored liquid. Taking into account the vertical and horizontal earthquake loads, hydrostatic pressure, and considering restrictive moment and shear forces at shell-bottom welded joint, the author has calculated circumferential and longitudinal stresses. These are combined to more accurately approximate the stresses at the base shell course. The calculated result closely conforms to the actual damage, termed ''elephant's foot,'' observed in the fuel storage tanks damaged in the Tangshan earthquake. This result shows that the ''elephant's foot'' phenomenon is not caused by buckling of the ...
1983-01-01
True potential energy curve and dissociation energy of BeO
International Nuclear Information System (INIS)
The true potential energy curve for the x "1#SIGMA#"+ state of BeO has been calculated using the RKRV method. The dissociation energy of the ground state has been estimated to be 5.15 +- 0.05 eV by the curve-fitting method using the three-parameter potential energy function of Lippincott with an RKRV potential energy curve. (author).
Is uniform target dose possible in IMRT plans in the head and neck?
International Nuclear Information System (INIS)
Purpose: Various published reports involving intensity-modulated radiotherapy (IMRT) plans developed using automated optimization (inverse planning) have demonstrated highly conformal plans. These reported conformal IMRT plans involve significant target dose inhomogeneity, including both overdosage and underdosage within the target volume. In this study, we demonstrate the development of optimized beamlet IMRT plans that satisfy rigorous dose homogeneity requirements for all target volumes (e.g., #+-#5%), while also sparing the parotids and other normal structures. Methods and Materials: The treatment plans of 15 patients with oropharyngeal cancer who were previously treated with forward-planned multisegmental IMRT were planned again using an automated optimization system developed in-house. The optimization system allows for variable sized beamlets computed using a three-dimensional convolution/superposition dose ...
2002-04-01
Modelling of MeV alpha particle energy transfer to lower hybrid waves
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 ...
1994-05-01
Modelling of MeV alpha particle energy transfer to lower hybrid waves
International Nuclear Information System (INIS)
The interaction between a lower hybrid wave and a fusion alpha particle displaces the alpha particle simultaneously in space and energy. This results in coupled diffusion. Diffusion of alphas down the density gradient could lead to their transferring energy to the wave. This could, in turn, put energy into current drive. Here we calculate numerical solutions for the alpha energy transfer and study a range of conditions that are favourable for wave amplification from alpha energy. We find that it is possible for fusion alpha particles to transfer a large fraction of their energy to the lower hybrid wave. The numerical calculation shows that the net energy transfer is not sensitive to the value of the diffusion coefficient over a wide range of practical values. An extension of this idea, the use of a ...
Modeling of MeV alpha particle energy transfer to lower hybrid waves
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 ...
1993-10-01
Optical and statistical model calculation of the americium 242m capture cross section
International Nuclear Information System (INIS)
The capture cross sections of Am 242m can be deduced from resonances analysis at low energy and computed with theoretical models at high energy. In this work, a coherent set of cross sections which reproduced the experimental values of the fission cross sections is computed. These calculations were performed for an energy of the incoming neutron between 1 keV and 1 MeV.
A nanoscale understanding of the adhesion of polybutylene terephthalate on aluminum
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.
2007-01-01
Level density parameter and fission probability calculations in heavy-ion-induced fission reactions
International Nuclear Information System (INIS)
Based on the single-particle levels given by Nilsson, the intrinsic and effective (with collective effects) level density parameters as a function of the excitation energy for the "1"8"6Os, "1'8"7Ir, "1"8"9Os and "1"9"3Au deformation nuclei have been calculated in the range of the excitation energy up to 150 MeV. The calculated fission probabilities P_f (U) are consistent satisfactorily with the experimental data when a nonadiabatic estimation of the collective effects was used to calculated the nuclear level density parameters.
International Nuclear Information System (INIS)
CORAL-I was an experimental, zero-power, fast-spectrum, high-enriched metal uranium reactor that operated from 1968 until 1988 at the former Junta de Energia Nuclear (JEN), CIEMAT at present. The critical measurements performed at the startup of the reactor are being evaluated as part of the International Critical Safety Benchmark Evaluation Program (ICSBEP) and proposed to be included in its 2001 edition. Additionally, the measurement of the mass reactivity coefficient is compared with MCNP4B calculations. This measurement allows one to perform the approach to critical without the need of a previous control rod calibration, thus enhancing the safety of such an approach. This technique can also be applied to other reactor types. CORAL-I (Ref. 1) is a 90% enriched metal uranium reactor domestically designed and manufactured in the experimental facilities of JEN, now CIEMAT, in Madrid, Spain. The enriched uranium was supplied by the International Atomic ...
2001-06-17
Conformational stability of alternating d (CG) oligomers in high salt solution.
UK PubMed Central (United Kingdom)
The conformation of d (CG)n oligomers with n = 2,3 has been studied in aqueous solution in the presence of high salt concentration. A minimum n value of three is necessary to obtain a left-handed Z-helix....Full Text Available
1981-05-11
Observability of complex ghosts and tachyons
International Nuclear Information System (INIS)
The complex ghost introduced previously by the present author is studied from a standpoint whether its effects are observable by experiments or not. According to the theory of complex ghost the scattering cross section of two real particles shows some particular properties. It has a kind of resonance peak at a certain energy which does not conform to the Breit-Wigner formula. It has also a peak for a certain energy transfer, if there exist tachyons. The tachyon is a kind of ghost and is allowed to exist in the theory. Using these properties the complex ghosts are expected to be detected by experiments. The recently observed resonance psi(3.1) is supposed to be the complex ghost of photon, since they have the same quantum numbers. If it is assumed, some properties of the resonance known by experiments are explained naturally to a certain extent. Along the same line it is not unnatural to expect that the photon is also ...
Groundwater surveillance plan for the Oak Ridge Reservation
Energy Technology Data Exchange (ETDEWEB)
US Department of Energy (DOE) Order 5400.1 requires the preparation of environmental monitoring plans and implementation of environmental monitoring programs for all DOE facilities. The order identifies two distinct components of environmental monitoring, namely effluent monitoring and environmental surveillance. In general, effluent monitoring has the objectives of characterizing contaminants and demonstrating compliance with applicable standards and permit requirements, whereas environmental surveillance has the broader objective of monitoring the effects of DOE activities on on- and off-site environmental and natural resources. The purpose of this document is to support the Environmental Monitoring Plan for the Oak Ridge Reservation (ORR) by describing the groundwater component of the environmental surveillance program for the DOE facilities on the ORR. The distinctions between groundwater effluent monitoring and groundwater surveillance have been defined in the ...
1994-07-01
International Nuclear Information System (INIS)
Dose calculations for radiation arc therapy are traditionally performed by approximating continuous delivery arcs with multiple static beams. For 3D conformal arc treatments, the shape and weight variation per degree is usually small enough to allow arcs to be approximated by static beams separated by 5"0-10"0. But with intensity-modulated arc therapy (IMAT), the variation in shape and dose per degree can be large enough to require a finer angular spacing. With the increase in the number of beams, a deterministic dose calculation method, such as collapsed-cone convolution/superposition, will require proportionally longer computational times, which may not be practical clinically. We propose to use a homegrown Monte Carlo kernel-superposition technique (MCKS) to compute doses for rotational delivery. The IMAT plans were generated with 36 static beams, which were subsequently interpolated into finer angular intervals for dose ...
2008-09-07
Excited states in electronic structure calculations
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.
1992-07-01
Energy Technology Data Exchange (ETDEWEB)
The LAHET code system calculations and experimental results for proton interactions with an energy <50 MeV are compared. For these energies, the theories behind the LAHET models are not applicable. Three quantities compared are (a) the magnitude of the neutron yield generated through proton interactions, (b) the energy and angular distributions of the resultant neutrons, and (c) the residual nuclei produced by proton interactions (spallation products). The comparisons are for protons incident on iron and copper, except in the case of the energy and angular distributions, which are calculated only for iron. The neutron yields predicted by LAHET agree with published measurements to within 50% for both materials. For iron, the predicted energy and angular distributions agree to within a factor of 3. Finally, the predicted spallation product ...
1997-03-01
A calculation method of running range of electric vehicle with battery hybrid system
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.
1980-05-01
International Nuclear Information System (INIS)
Background and purpose: the recent RTOG guidelines for future clinical developments in gynecologic malignancies included the investigation of dose escalation in the paraaortic (PO) region which is, however, very difficult to target due to the presence of critical organs such as kidneys, liver, spinal cord, and digestive structures. The aim of this study was to investigate intensity-modulated radiotherapy's (IMRT) possibilities of either increasing, in a safe way, the dose to 50-60 Gy in case of macroscopic disease or decreasing the dose to organs at risk (OR) when treatment is given in an adjuvant setting. Material and methods: the dosimetric charts of 14 patients irradiated to the PO region at the department of radiation oncology, university hospital of Liege, Belgium, in 2000 were analyzed in order to compare six-field conformal external-beam radio-therapy (CEBR) and five-beam IMRT approaches. Both CEBR and IMRT investigations were planned to theoretically ...
2005-03-01
Nucleon induced reaction cross-sections for strontium and cesium at energies 1 MeV to 10 GeV
Energy Technology Data Exchange (ETDEWEB)
Nuclear reaction cross-sections for stable strontium and cesium isotopes, which were calculated by different approaches, are compared to available experimental data. Neutron and proton induced reaction cross-sections for the long-lived radionuclides [sup 90]Sr and [sup 137]Cs have been calculated in the energy range from 1 MeV to 10 GeV. Recommendations concerning cross-section calculations for strontium and cesium isotopes at intermediate and high energies are given. (orig.)
1993-06-01
Application of linear augemented plane wave method for technetium electronic structure calculation
International Nuclear Information System (INIS)
By the linear augmented plane wave method (APW) the energy zone of silver and technetium structure is calculated. The potential has been determined by means of superposition of atomic charge densities according to slater exchange method. Total and partial state densities have been calculated by the tetrahedron method. The APW-method convergence on the example of silver is studied, the comparison with the calculation results by the APW method and other data is carried out. The APW method high efficiency is pointed out. In dipole approximation the intensity distribution in L"3, M"5 N"3 technetium emission spectra is calculated.
The article explains the method of selecting the optimum energy for correcting the energy selectivity of tomographic projection and the optimum length of the crystals corresponding to it when the dual energy method in computerized tomography is used. Results of numerical calculations for actual materials and count results are presented.
1986-05-01
The influence of intramolecular H-bond on chromatographic behavior of phenylalkylamines
British Library Electronic Table of Contents (United Kingdom)
The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.
2009-01-01
The influence of intramolecular H-bond on chromatographic behavior of phenylalkylamines
The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.
2009-04-01
Non-uniqueness in conformal formulations of the Einstein constraints
Standard methods in non-linear analysis are used to show that there exists a parabolic branching of solutions of the Lichnerowicz-York equation with an unscaled source. We also apply these methods to the extended conformal thin sandwich formulation and show that if the linearised system develops a kernel solution for sufficiently large initial data then we obtain parabolic solution curves for the conformal factor, lapse and shift identical to those found numerically by Pfeiffer and York. The implications of these results for constrained evolutions are discussed.
2006-01-01
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 ...
1993-03-01
The level schemes of the near "4"8Ca nuclei in the frame of the pure shell model
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.).
1986-01-01
International Nuclear Information System (INIS)
The structural, electronic and optical properties of ZnX and CdX (X = Se, Te and S) are studied using density functional theory by the Wien2k package. The energy band gap, real and imaginary parts of the dielectric function, energy loss function, optical absorption coefficient and reflectivity spectra of these compounds are calculated. The Engel-Vosko approach improves the energy band gaps of ZnX and CdX compounds. The calculated optical parameters are in good agreement with available experimental results, particularly in the Engel-Vosko approach. Furthermore the effect of hydrostatic pressure on the energy band gap, the real and imaginary parts of the dielectric function of these compounds is studied. The first and second order pressure coefficient for the energy band gaps, the static dielectric function and the static reflectivity spectra ...
2010-09-03
Towards an objective evaluation of tolerances for beam modeling in a treatment planning system
International Nuclear Information System (INIS)
The performance of a convolution/superposition based treatment planning system depends on the ability of the dose calculation algorithm to accurately account for physical interactions taking place in the tissue, key components of the linac head and on the accuracy of the photon beam model. Generally the user has little or no control over the performance of the dose calculation algorithm but is responsible for the accuracy of the beam model within the constraints imposed by the system. This study explores the dosimetric impact of limitations in photon beam modeling accuracy on complex 3D clinical treatment plans. A total of 70 photon beam models was created in the Pinnacle(TM) treatment planning system. Two of the models served as references for 6 MV and 15 MV beams, while the rest were created by perturbing the reference models in order to produce specific deviations in specific regions of the calculated dose profiles ...
2007-09-21
The performance of 250 different computational protocols (combinations of density functionals, basis sets and methods) was assessed on a set of 165 well-established experimental (1)H-(1)H nuclear coupling constants (J(H-H)) from 65 molecules spanning a wide range of "chemical space". Thereby we found that, if one uses core-augmented basis sets and allows for linear scaling of the raw results, calculations of only the Fermi contact term yield more accurate predictions than calculations where all four terms that contribute to J(H-H) are evaluated. It turns out that B3LYP/6-31G(d,p)u+1s is the best (and, in addition, one of the most economical) of all tested methods, yielding predictions of J(H-H) with a root-mean-square deviation from experiment of less than 0.5 Hz for our test set. Another method that does similarly well, without the need for additional 1s basis functions, is B3LYP/cc-pVTZ, which is, however, ca. 8 times more "expensive" in ...
2011-05-16
Search for extended conformal algebra
International Nuclear Information System (INIS)
The authors search for the extended conformal algebra with two spin-s (s:integer) and one spin-1 generators. This search is inspired by the existence of chiral algebra in the Gaussian model for rational radius. For odd s, the conformal properties of the three-point functions imply that a general fusion rule can be reduced to those of the Gaussian model. For arbitrary even s, these conditions are weaker. In particular, for s = 2 the authors show that the chiral algebra of the Gaussian model is the unique extended conformal algebra with the value of the central charge fixed to be c = 1. It is also shown that the conformal generator is necessarily a bilinear of the spin-1 generator just as the Gaussian model. The authors conjecture that this remains true for arbitrary value of s.
1990-08-01
Energy Technology Data Exchange (ETDEWEB)
The Department prepared the Fiscal Year 1998 Accountability Report to combine critical financial and program performance information in a single report. The Department`s consolidated financial statements and the related audit reports are included as major components of the Accountability Report. The Office of Inspector General audited the Department`s consolidated financial statements as of and for the years ended September 30, 1998 and 1997. In the opinion of the Office of Inspector General, except for the environmental liabilities lines items in Fiscal year 1998, these financial statements present fairly, in all material respects, the financial position of the Department as of September 30, 1998 and 1997, and its consolidated net cost, changes in net position, budgetary resources, financing activities, and custodial activities for the years then ended in conformity with Federal accounting standards. In accordance with Government Auditing Standards, the Office of ...
1999-02-01
{sup 3}He spectrum at small atmospheric depths for different geomagnetic cutoff values
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.
1995-09-01
Thermodynamic calculations for Otto cycle engines using methanol as a fuel
Energy Technology Data Exchange (ETDEWEB)
Equations are derived to calculate the work required for the isentropic compression of a 2-phase fuel-air mixture. Methanol evaporation during compression substantially reduces compression work and improves cycle efficiency and maximum power. Effects of evaporative cooling in the intake manifold are calculated. Energy d. of methanol and gasoline fuel-air charges are compared. The phase equilibrium and evaporation rate are causes of the poor cold-starting performance of methanol.
1981-01-01
Monte Carlo calculation of "1"2"9I and "2"3"7Np transmutation with relativistic protons
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
1999-09-01
Energy spectra and electromagnetic properties in lithium isotopes
International Nuclear Information System (INIS)
Li shell-model calculation has been made in the isospin formalism in the complete (0 + n)#Planck constant##omega# model space with the assumption of a closed core "4He. The calculation could probably be improved by use of a better effective interaction and increasing shell model space. With the use of faster computer with large memories, the authors are in hope of calculation in spsd shell-model space
Calculated fluence spectra at neutron therapy facilities
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).
1995-11-13
A calculation program for electricity generation costs using LOTUS
Energy Technology Data Exchange (ETDEWEB)
This program is designed in order to calculate electricity generation cost by different energy sources, and menu type is adopted for user convenience. This program also graphically shows the share of capital investment cost, O and M cost, and fuel cost. Sensitivity analysis about discount rate can also be carried out by this program, taking into consideration the important role of the discount rate in the generation costs calculation. (Author) 7 refs., 1 fig., 3 tabs.
1994-12-01
28: Calculation of 3D dose distribution for photons in inhomogeneous media
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.
27: Development of a convolution/superposition method for photon beams
International Nuclear Information System (INIS)
The implementation of the convolution/superposition method in real dose planning situations is considered. The modelling of photon spectra, the use of patient and treatment setup information, and the calculation of the photon energy released in a patient are detailed. A comparison is made between the approaches of calculating the relative dose directly and using a factor derived from measurements to correct the calculated relative dose. 13 refs.; 7 figs.
The propagation of relativistic heavy ions in multielement beam lines.
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 ...
Using the complex Kohn method, we have calculated variational values of phase shifts and the annihilation parameter, Z_{eff}, for the elastic scattering of positrons by molecular hydrogen. Our results are sensitive to small changes in the accuracy of the wave function representing the target hydrogen molecule. We have developed a systematic approach to demonstrate that, at low positron energies, there are particular forms of the Kohn trial wave function for which the results of variational calculations are not reliable, even when the target wave function accounts for as much as 96.8% of the correlation energy of H_{2}. We find that reliable results can be recovered if our calculations are extended to admit more sophisticated target wave functions accounting for 99.7% of the correlation energy. Remaining discrepancies between theory and experiment are briefly ...
2008-01-01
Monte Carlo optimization technique applied to "2"3"8Pu production in FFTF [Fast Flux Test Facility
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.
1989-11-26
/sup 90,91/Zr (n,#alpha#) /sup 87,88/Sr reactions at 14.3 and 18.15 MeV incident neutron energy
International Nuclear Information System (INIS)
Measurements of alpha spectra in the (n, #alpha#) reactions induced on /sup 90,91/Zr at 14.3 and 18.15 MeV incident neutron energy are presented. A microscopic calculation of these spectra has been made using both pick-up and knock-on theories, and in both cases only one overall normalizing factor, which is the same for the two target nuclei and incident energies and all the considered transitions, appears as a free parameter in the calculation. Pick-up calculations provide a very satisfactory reproduction of the data. Knock-on calculations reproduce many qualitative features of the measured spectra, but do not allow a fully satisfactory reproduction of them. While the results obtained do not exclude knock-on contributions to these reactions, their presence is not established.
Polybutylene terephthalate on metals: a density functional theory and cluster models investigation
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.
2006-02-01
Cut diagrams for high energy scatterings
International Nuclear Information System (INIS)
A new approach is introduced to study QCD amplitudes at high energy and comparatively small momentum transfer. Novel cut diagrams, representing the resummation of Feynman diagrams, are used to simplify the calculation and to avoid delicate cancellations encountered in the usual approach. An explicit calculation to the sixth order is carried out to demonstrate the advantage of cut diagrams over Feynman diagrams. copyright 1996 The American Physical Society.
Comparison of EH with SW-Xsub(alpha) calculations
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.
1981-01-01
International Nuclear Information System (INIS)
Energy band diagrams of LaCuOCh (Ch = S, Se and Te) were calculated by a full-potential linearized augmented plane-wave method. The calculations, based on the local density approximation with/without an on-site Coulomb repulsion parameter, were to examine the energy levels of La 4f states. The results of the calculations showed that the on-site correlation parameter is necessary for evaluating the energy levels of La 4f states appropriately. The calculations for LaCuOCh with the on-site correlation parameter revealed that LaCuOS and LaCuOSe have almost the same energy band structure with a direct allowed-type band gap, while LaCuOTe has significantly different conduction band structure that exhibits an indirect-type band gap. This difference in electronic structure between LaCuOCh (Ch = S, Se and Te) is consistent with ...
2004-07-21
Calculated neutron capture cross sections to the americium ground and isomeric states
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)
The COSA II (computer codes for salt) benchmark problem has been pursued with the ADINA (Automatic Dynamic Incremental Nonlinear Analysis) program code. With the use of this, the code should be validated by means of experimental data and the ability to reproduce real-life calculation results of the KfK (Kernforschungszentrum Karlsruhe/Nuclear Research Center in Karlsruhe) should be proven. A successful validation of the code then forms the foundation stone for the ability to use different calculation problems in the final (ultimate) storage. This also accompanies the consequent reaction of replacing the STEALTH (Solids and Thermal Hydraulics Code for EPRI Adapted from LAGRANGE TOODY and HEMP) program which has a number of program-specific weaknesses compared to the ADINA computer code. In order to reproduce the approximate values from the KfK, the same values have been used. Differences were evident in the discretion and the selection of the ...
International Nuclear Information System (INIS)
For the Convolution, Superposition and Monte Carlo methods, energy spectrum data is an essential parameter. Especially, by using Monte Carlo method, if the adequate properties of electrons are set, complex energy spectrum data can be calculated by simple input. However, adjustment of the property of electrons incident on the target of linear accelerator is time-consuming procedure. To cover the difference of many accelerators, it is important how we obtain accurate energy spectrum by simple methods. Especially, the total accuracy of dose calculation depends on the agreement of measured and calculated percentage depth dose (PDD) and off-axis ratio (OAR). Thus, a simple method for the determination of the simulation parameters was considered. To reduce the adjustment procedure, we selected values of important three parameters, which were the mean ...
2005-06-01
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 ...
Unconstrained energy functionals for electronic structure calculations
Energy Technology Data Exchange (ETDEWEB)
The performance of conjugate gradient schemes for minimizing unconstrained energy functionals in the context of electronic structure calculations is studied. The unconstrained functionals allow a straightforward application of conjugate gradients by removing the explicit orthonormality constraints on the quantum-mechanical wave functions. However, the removal of the constraints can lead to slow convergence, in particular when preconditioning is used. The convergence properties of two previously suggested energy functionals are analyzed, and a new functional is proposed, which unifies some of the advantages of the other functionals. A numerical example confirms the analysis.
1998-04-01
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.
1986-07-01
International Nuclear Information System (INIS)
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.
1986-02-01
International Nuclear Information System (INIS)
This article considers the application of simple trial wave functions to calculate the ground state energy of a hydrogen-like center near the interface of two media. Calculations have been performed taking into account the image potential. It has been shown that different kinds of wave functions are optimal at different distances from the interface. A relatively simple wave function has been suggested to represent main features of the dependence of the ground state energy on the distance to the interface. (authors)
2009-01-01
Formation of charge and energy distribution of heavy ions in substance according to diffusion model
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
2003-11-01
Linear augmented-plane-wave calculation of the structural properties of bulk Cr, Mo, and W
International Nuclear Information System (INIS)
A scalar-relativistic procedure for calculating the valence-electron contribution to the total energy of bulk and thin-film solids has been developed and applied to the fcc and bcc phases of the group-VIB transition elements Cr, Mo, and W. This approach, which is based on the linear augmented-plane-wave method and local-density-functional theory, contains no shape approximations for either the charge density or potential. The formulation adopts a rigid-core approximation and incorporates an exact treatment of the core-charge tails that extend beyond the muffin-tin spheres. The application of this procedure to bcc Cr, Mo, and W yields calculated lattice parameters and bulk moduli that are in good (Cr) to excellent (Mo and W) agreement with experiment. The present calculated properties also agree quite well with the results of previous calculations involving a variety of ...
Energy Technology Data Exchange (ETDEWEB)
The retention indices of cycloalkenes and cycloalkadienes with C/sub 6/-C/sub 13/ rings are determined by gas-liquid chromatography (GLC) on glass capillary columns coated with OV-1 and Ucon LB 550X and by gas-solid chromatrography (GSC) on a microcolumn packed with uncoated graphitized thermal carbon black (GTCB). Structure-retention correlations are derived on using index differences such as H/sup OV/, H/sup GTCB/ and ..delta..I values, considering the differences in the stereochemistry of these compounds. It is shown that the combined application of index increments obtained in GLC and GSC provides more detaled structure informations. The value of the retention index units agree with the most stable conformations of the alicyclic compounds. The high value for the energy equivalent to an index unit (..delta..G/sub I.U./ = 4.18 kJ/mol) confirms that graphitized thermal carbon black causes much stronger dispersive interactions than any nonpolar ...
1987-08-01
Photovoltaic industry manufacturing technology. Final report
Energy Technology Data Exchange (ETDEWEB)
This report contains the results of the Photovoltaic (PV) Industry Manufacturing Technology Assessment performed by the Automation and Robotics Research Institute (ARRI) of the University of Texas at Arlington for the National Renewable Energy laboratory. ARRI surveyed eleven companies to determine their state-of-manufacturing in the areas of engineering design, operations management, manufacturing technology, equipment maintenance, quality management, and plant conditions. Interviews with company personnel and plant tours at each of the facilities were conducted and the information compiled. The report is divided into two main segments. The first part of the report presents how the industry as a whole conforms to ``World Class`` manufacturing practices. Conclusions are drawn from the results of a survey as to the areas that the PV industry can improve on to become more competitive in the industry and World Class. Appendix A contains the ...
1998-08-01
Microlocal analysis of asymptotically hyperbolic and Kerr-de Sitter spaces
In this paper we develop a general, systematic, microlocal framework for the Fredholm analysis of non-elliptic problems, including high energy (or semiclassical) estimates, which is stable under perturbations. This framework is relatively simple given modern microlocal analysis, and only takes a bit over a dozen pages after the statement of notation. It resides on a compact manifold without boundary, hence in the standard setting of microlocal analysis, including semiclassical analysis. The rest of the paper is devoted to applications. Many natural applications arise in the setting of non-Riemannian b-metrics in the context of Melrose's b-structures. These include asymptotically Minkowski metrics, asymptotically de Sitter-type metrics on a blow-up of the natural compactification and Kerr-de Sitter-type metrics. The simplest application, however, is to provide a new approach to analysis on Riemannian or Lorentzian (or indeed, possibly of other signature) ...
2010-01-01
As with mammalian enzymes, green crab (Scylla serrata) alkaline phosphatase can be activated by Mg2+ through a time-dependent course. The activation is mainly a Vmax effect. Tsou's method was used to study the kinetic course of activation. The results show that the enzyme was activated by a complexing scheme that had not been previously identified: the enzyme first reversibly and quickly binds Mg2+ and then undergoes a slow reversible course to activation, with a relatively high activation energy (78 +/- 4 kJ/mol) and a slow conformational change. The activation reaction is a single molecule reaction, and the apparent activation rate constant is independent of Mg2+ concentration if the concentration is sufficiently high. The microscopic rate constants of activation and the association constant were determined from the measurements. The proposed scheme may also be applied to the Mg2+ activation mechanism for mammalian enzyme, to explain why the ...
2001-01-01
Accelerated aging tests of liners for uranium mill tailings disposal
Energy Technology Data Exchange (ETDEWEB)
This document describes the results of accelerated aging tests to determine the long-term effectiveness of selected impoundment liner materials in a uranium mill tailings environment. The study was sponsored by the US Department of Energy under the Uranium Mill Tailings Remedial Action Project. The study was designed to evaluate the need for, and the performance of, several candidate liners for isolating mill tailings leachate in conformance with proposed Environmental Protection Agency and Nuclear Regulatory Commission requirements. The liners were subjected to conditions known to accelerate the degradation mechanisms of the various liners. Also, a test environment was maintained that modeled the expected conditions at a mill tailings impoundment, including ground subsidence and the weight loading of tailings on the liners. A comparison of installation costs was also performed for the candidate liners. The laboratory testing and cost ...
1981-11-01
222-S Laboratory maintenance implementation plan
Energy Technology Data Exchange (ETDEWEB)
This Maintenance Improvement Plan has been developed for maintenance functions associated with the 222-S Laboratory. This plan is developed from the guidelines presented by Department of Energy (DOE) Order 4330.4B, Maintenance Management Program (DOE 1994), Chapter 11. The objective of this plan is to provide information for establishing and identifying WMH conformance programs and policies applicable to implementation of DOE Order 4330.4B guidelines. In addition, this maintenance plan identifies the actions necessary to develop a cost effective and efficient maintenance program at 222-S Laboratory. Maintenance activities are mainly going to be performed by existing maintenance organizations within Waste Management Federal Services of Hanford (WMH). Most maintenance performed at 222-S Laboratory is performed by the 222-S Laboratory maintenance organization. This 222-S Laboratory Maintenance Implementation Plan provides the interface ...
1997-08-13
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 ...
1988-09-12
International Nuclear Information System (INIS)
The method of superposition of configurations was applied to the triplet sigma, pi, and delta states of HeH"+ which correlate to the separated atom states of principal quantum number less than or equal to 3. The calculations were done for internuclear separations, 0< or =R< or =65.5 a.u., on a mesh adequate for interpolation. Similar calculations on the singlet states have already been reported. The present calculations complete the accurate evaluation of the potential energy curves for this system which are required for low- and intermediate-energy collision studies. In addition to the energy eigenvalues and eigenfunctions, dipole, gradient, and radial coupling matrix elements were calculated for the sigma and pi states. Primarily, this paper presents information on the eigenvalues. The accuracy of the triplet-state ...
8711-01-01
Energy Technology Data Exchange (ETDEWEB)
Background and purpose: the recent RTOG guidelines for future clinical developments in gynecologic malignancies included the investigation of dose escalation in the paraaortic (PO) region which is, however, very difficult to target due to the presence of critical organs such as kidneys, liver, spinal cord, and digestive structures. The aim of this study was to investigate intensity-modulated radiotherapy's (IMRT) possibilities of either increasing, in a safe way, the dose to 50-60 Gy in case of macroscopic disease or decreasing the dose to organs at risk (OR) when treatment is given in an adjuvant setting. Material and methods: the dosimetric charts of 14 patients irradiated to the PO region at the department of radiation oncology, university hospital of Liege, Belgium, in 2000 were analyzed in order to compare six-field conformal external-beam radio-therapy (CEBR) and five-beam IMRT approaches. Both CEBR and IMRT investigations were planned to ...
2005-03-01
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)
2008-03-01
Energy Technology Data Exchange (ETDEWEB)
Energy conservation and local energy deposition are investigated in the context of coupled-particle (i.e., neutrons, gamma rays, and charged particles) transport analysis. For charged particles, the concept of group splitting the 1 = 0 transfer matrix to ensure both particle and energy conservation is introduced. Although these procedures are more complex than those found in the usual neutron or coupled-neutron gamma-ray problem, they yield a consistent approach for the calculation of local energy deposition.
1983-11-01
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.
1983-01-01
SLAROM-UF: Ultra fine group cell calculation code for fast reactor
International Nuclear Information System (INIS)
A cell calculation code SLAROM-UF was developed to improve calculation accuracy of effective cross sections for various fast reactor types. SLAROM-UF has a capability to calculate effective cross sections in ultra fine groups of about 100,000 below 50keV and in fine groups above the energy (maximum 900 groups). Resonance interaction among the fuel, the coolant, and the structure materials can be treated accurately even in a heterogeneous cell structure. Temperature can be set up freely in a cell by the ultra fine group calculation. Improvement in nuclear characteristics was observed in the analysis of JUPITER critical experiment, as 0.1% for criticality, 4% for sodium void reactivity, several % for radial reaction rate distribution, when SLAROM-UF was used instead of the typical cell calculation code. The effect of the ultra fine group ...
Scaling dimensions in hidden Kerr/CFT
It has been proposed that a hidden conformal field theory (CFT) governs the dynamics of low frequency scattering in a general Kerr black hole background. We further investigate this correspondence by mapping higher order corrections to the massless wave equations in a Kerr background to an expansion within the CFT in terms of higher dimension operators. This implies the presence of infinite towers of CFT primary operators with positive conformal dimensions compatible with unitarity. The exact Kerr background softly breaks the conformal symmetry and the scaling dimensions of these operators run with frequency. The scale-invariant fixed point is dual to a degenerate case of flat spacetime.
2011-01-01
Infinite-parametric extension of the conformal algebra in D>2 space-time dimensions
International Nuclear Information System (INIS)
On the basis of the analytic continuations of semisimple Lie algebras discovered recently by us we construct manifestly quasiconformal infinite-dimensional algebras AC(so(4, 1)) and PAC(so(3, 2)) extending the conformal algebras in three-dimensional euclidean and Minkowski space-time like the Virasoro algebra extends so(2, 1). Their higher spin generalizations are also constructed. A counterpart of the central extension for D > 2 and possible appplications in exactly solvable conformal quantum field models in D > 2 are discussed. (orig.).
1991-01-01
Scattered radiation effect on the defect image in high-energy bremsstrahlung introscopy
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.
Nature of low-energy antiprotons in cosmic rays
Energy Technology Data Exchange (ETDEWEB)
A model of formation of cosmic ray antiproton spectrum in plasma consisting mainly of electron-positron pairs (nsub(+-)/nsub(p) > or approximately 10) is considered. Additional energy losses due to Coulomb collisions in plasma provide significant increase of the antiproton flux in the energy range < or approximately 1 GeV. Calculated anti p/p ratio is in a satisfactory agreement with the observational data.
1983-02-01
Light emission from grazing incidence interaction of light ions with clean Cu(110)
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.).
1983-02-04
International Nuclear Information System (INIS)
The cross sections for proton-proton elastic scattering at Fermilab and ISR energies are investigated in the framework of the multiple constituent scattering formalism, including the contributions of the inelastic intermediate states. We find that the higher-order multiple scattering amplitudes are strongly suppressed due to the presence of the inelastic intermediate states. The calculated cross sections reproduce the high energy experimental data fairly well. (author).
Computer simulation of martensitic transformations
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.
1993-11-01
Analysis of a manipulator in relation to collision between a link and an object
British Library Electronic Table of Contents (United Kingdom)
In this article, equations of motion of a manipulator are derived after consideration of the characteristics of the driving source. By considering a collision between a link and an object, and considering the active motion to absorb the kinetic energy of the object, the trajectories for saving energy are calculated by the iterative dynamic programming (IDP) method. The dynamic characteristics of manipulator control based on the trajectory for saving energy are also analyzed theoretically and investigated experimentally.
2011-01-01
Absorbed dose and dose equivalent depth distributions for protons with energies from 2 to 600 MeV
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).
1989-01-01
Monte Carlo calculations using the codes PENELOPE and GEANT4 have been performed to characterize the dosimetric properties of monoenergetic photon point sources in water. The dose rate in water has been calculated for energies of interest in brachytherapy, ranging between 10 keV and 2 MeV. A comparison of the results obtained using the two codes with the available data calculated with other Monte Carlo codes is carried out. A chi2-like statistical test is proposed for these comparisons. PENELOPE and GEANT4 show a reasonable agreement for all energies analyzed and distances to the source larger than 1 cm. Significant differences are found at distances from the source up to 1 cm. A similar situation occurs between PENELOPE and EGS4.
2006-01-01
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...
2011-01-01
International Nuclear Information System (INIS)
Techniques for reducing computation time in 3D photon dose calculations are addressed with specific emphasis given to the convolution/superposition approach. A single polyenergetic superposition model calculating absorbed dose per incident photon fluence (Gy cm"2) was developed in terms of TERMA and a total energy deposition kernel (a total point spread function). A novel approach was devised for reducing calculation time. The method, named the CF method, was based on the use of a conventional, fast model (here a modified power-law method was used) for the generation of 3D dose distributions on a fine dose matrix. Superposition calculations were carried out on a coarse matrix and calculation speed was increased simply by reducing the number of calculations. A set of correction factors was derived on the coarse grid from the ratio of the dose ...
1997-08-01
Tensors, spinors, and functions on the unit sphere
International Nuclear Information System (INIS)
A representation of tensors and spinors at a point of space-time as spin and conformally weighted functions on the unit sphere is derived. Methods for performing algebraic operations on tensors and spinors in this representation are discussed. (author).
Energy Technology Data Exchange (ETDEWEB)
The effect of counter-ion species on the local conformation of fully-charged poly(L-glutamate) in added-salt aqueous solutions were studied by small-angle X-ray scattering(SAXS). In the case of presence of monovalent counter-ion, the scattering behaviour could be explained by taking into consideration the excluded volume effect and intermolecular-interface interaction on the scattering function of wormlike chain. On the other hand, since SAXS profile of the solution in the presence of divalent counter-ion well fitted to the scattering function of dendrimer, it suggested that the conformation of polymer chain in such solution would be more compact conformation than that of presence of monovalent ion.
2010-10-01
Metallic stent and stereotactic conformal radiotherapy for hilar cholangiocarcinoma
International Nuclear Information System (INIS)
Objective: To evaluate the effect of metallic stent combined with stereotactic conformal radiotherapy (SCRT) for hilar cholangiocarcinoma. Methods: Fifty-four patients with hilar cholangiocarcinoma were analyzed, including 31 treated with stent plus stereotactic conformal radiotherapy (combined group) and 23 with metallic stent alone (control group). Results: The mean survival time of combined group was 11.1 #+-# 4.6 months, compared with 5.1 #+-# 2.8 months of the control group, giving a significant difference between the two groups (P<0.01). Conclusion: The combination of metallic stent and stereotactic conformal radiotherapy is more effective than metallic stent alone for unresectable hilar cholangiocarcinoma. (authors)
2005-01-01
Heat shock proteins as emerging therapeutic targets
UK PubMed Central (United Kingdom)
Chaperones (stress proteins) are essential proteins to help the formation and maintenance of the proper conformation of other proteins and to promote cell survival after a large variety of environmental...Full Text Available
2005-11-01
Pool critical assembly benchmark solutions using MCNP and THREEDANT
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.
1994-12-31
Energy Technology Data Exchange (ETDEWEB)
The ventilation requirements for decontamination are normally determined with a static calculation method. In some cases, the pollutant emission is intermittent, for example in the car park of an office building, where all the cars enter and leave the place nearly at the same time. Generally, in such a case, the volume of the garage is large, consequently the time constant of the system has a high value. So a static approach would no longer stay accurate and a dynamic evaluation is needed. With the help of some assumptions, calculations remain rather simple and results can be plotted on nomographs or computed on a programmable handheld calculator. The amount of energy saved may appear very large in some cases. A sizing optimization will be required but also remains easy to compute. The paper presents the method of calculation for a single ventilation level and the optimization of a ...
1982-01-01
This article introduces a predictive capability for Hg retention in any Ca-based wet flue gas desulfurization (FGD) scrubber, given mercury (Hg) speciation at the FGD inlet, the flue gas composition, and the sulphur dioxide (SO2) capture efficiency. A preliminary statistical analysis of data from 17 full-scale wet FGDs connects flue gas compositions, the extents of Hg oxidation at FGD inlets, and Hg retention efficiencies. These connections clearly signal that solution chemistry within the FGD determines Hg retention. A more thorough analysis based on thermochemical equilibrium yields highly accurate predictions for total Hg retention with no parameter adjustments. For the most reliable data, the predictions were within measurement uncertainties for both limestone and Mg/lime systems operating in both forced and natural oxidation mode. With the U.S. Environmental Protection Agency's (EPA) Information Collection Request (ICR) database, the quantitative performance was almost as good for ...
2005-07-01
Meson self-energies calculated by the relativistic particle-hole-antiparticle representation
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)
With the advent of intensity-modulated radiation therapy (IMRT), the inclusion of heterogeneity corrections is further complicated by the conformal delivery of many small beams forming steep dose gradients. Radiation treatment planning has evolved to take into account even small changes in tissue density so that the dose to tumor can be further optimized. However, different treatment planning systems incorporate different heterogeneity correction algorithms, and it is unclear whether any of these algorithms are superior to others in terms of accurately predicting delivered radiation doses relative to measurement in a clinical setting. The purpose of this study was to determine the accuracy of heterogeneity dose calculations from two widely used IMRT treatment planning systems (Pinnacle and Corvus) against measurement. These two systems handle heterogeneity dose corrections by means of a collapsed-cone convolution superposition algorithm and a ...
2007-05-01
Load calculation and system evaluation for electric vehicle climate control
Energy Technology Data Exchange (ETDEWEB)
This paper presents an analysis of the applicability of alternative systems for electric vehicle (EV) heating and air conditioning (HVAC). The paper consists of two parts. The first part is a cooling and heating load calculation for electric vehicles. The second part is an evaluation of several systems that can provide the desired cooling and heating in EVs. These systems are ranked according to their overall weight The overall weight is calculated by adding the system weight and the weight of the battery necessary to provide energy for system operation. The system with the minimum overall weight is considered to be the best, because minimum vehicle weight decreases the energy required for propulsion, and therefore increases the vehicle range. Three systems are considered as the best choices for EV HVAC. These are, vapor compression, ice storage and adsorption systems. These systems are evaluated, ...
1994-09-12
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 ...
2003-10-01
Energy-resolved electron particle and energy fluxes in positive column plasmas
Energy Technology Data Exchange (ETDEWEB)
This paper deals with electron flux densities and electron energy flux densities in positive column discharges. Recent kinetic calculations by Uhrlandt and Winkler have revealed the interesting physical phenomenon of radially inward directed energy flux densities in positive column plasmas. We have used a self-consistent positive column model, based on an accurate and highly detailed Monte Carlo code, to study this effect in more depth. The results of this study show a rather complex physical picture of electron particle and energy flux densities. Electrons with low energies usually exhibit radially outward directed particle and energy flux densities. At energies above the threshold for electronic excitation particle and energy flux densities are usually inward directed. Only close to the wall, at total ...
1999-11-07
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...
2011-01-01
Neutron leakage benchmarks for water moderators
Energy Technology Data Exchange (ETDEWEB)
Fission reaction rates for four nuclides were measured in the leakage spectrum outside spherical water moderators of various radii surrounding a {sup 252}Cf neutron source. Using the MCNP transport code, matching calculations were made with highly detailed modeling of the measurement apparatus. The calculations predicted significantly higher leakage of neutrons in the epicadmium energy range than was found in the measurements. A discrepancy of the same sign but weaker magnitude was found for thermal neutrons. These discrepancies may be relevant to problems with criticality calculations in special cases.
1994-12-31
H-point phonon in molybdenum: Superlinearized augmented-plane-wave calculations
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.
Coupled-channels calculations of elastic and inelastic scattering
Energy Technology Data Exchange (ETDEWEB)
Cross sections for the elastic and inelastic scattering of /sup 16/O on /sup 58/Ni, /sup 88/Sr, /sup 40/Ca, and /sup 48/Ca have been calculated in a coupled-channels treatment, including the low-lying 2/sup +/ and 3/sup /minus// 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.
1989-07-01
Coupled-channels calculations of elastic and inelastic scattering
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)
The applicability of auxiliary functions Qqns and Gq-ns in combined Hartree-Fock-Roothaan theory suggested by one of the authors is demonstrated by calculation of electronic structure of some molecules. As an example of application, the calculations have been performed for the ground states of BH, Bh2, BH3, CH, CH2 and CH3 using minimal basis sets of Slater type orbitals. The results of computer calculations for the orbital and total energies, linear combination coefficients of symmetrized and un symmetrized molecular orbitals, and virial ratios are presented.
2008-08-25
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 ...
2003-06-01
Vector Boson Scattering in the Standard Model an Overview of Formulae
Tree-level scattering amplitudes of longitudinally polarized electroweak vector bosons in the Standard Model are calculated using Mathematica package Feyncalc. The modifications of low-energy theorems for longitudinally polarized W and Z in the Standard Model are discussed.
1997-01-01
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...
2002-01-01
Structural, electronic and energetic properties of silicon carbon alloys
International Nuclear Information System (INIS)
We studied the influence of alloying on the structural and electronic properties of the unrelaxed and relaxed Si_1_-_yC_y random alloys by means of ab initio theoretical calculations using two methods: (i) a supercell approach in connection with the plane-wave pseudopotential method; (ii) the full-potential augmented plane-wave plus local orbitals (APW+lo) method. The first method is used to obtain the relaxed atomic structure. The relaxed atomic positions obtained by pseudopotential calculations were used to calculate the band structure via the second method. The local density approximation was used for the exchange and correlation energy density functional. We investigated the lattice parameters and band gap energies. We found that a quite smaller gap appears in the neighborhood of y=0.03125 concentration of C atoms. The band gap shows a large anomalous bowing and is strongly ...
2007-01-15
Potential description of cluster channel of lithium nuclei
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)
Using the Klein-Gordon equation with a box potential, a mass formula describing the family of nonflavored meson states with I = 1 is derived. The energy levels calculated agree with those observed within an accuracy of approx. 5%. In the model discussed quarks behave like tachyons.
1987-12-01
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.
1982-09-01
Calculation of cosmic ray antiproton-proton ratio
Energy Technology Data Exchange (ETDEWEB)
Cross section parameterizations for antiproton production in pp collisions are used to predict the antiproton/proton ratio resulting from a flux of cosmic protons with energy spectral index of 2.6 interacting with a 5 gm/cm/sup 2/ column density of H. (GHT)
1980-01-01
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)
2006-07-01
The low-current low-temperature plasma generators
Energy Technology Data Exchange (ETDEWEB)
In this article, the results of low-current gas-discharge plasma generator investigations carried out by a group of scientists from the Kazan' Aviation Institute are presented. When considered necessary, the results are compared with the data obtained by other authors. The basic configurations and theoretical calculation peculiarities of plasma generators are described. The electrical, thermal and energy characteristics of discharges in gas flows, as well as summarised empirical formulae and experimental data necessary for calculations and design of plasma devices are presented. (author)
2000-07-01
Statistical mechanics and thermodynamics for tachyons
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.
Energy Technology Data Exchange (ETDEWEB)
The Monte Carlo simulation method is applied to calculate the nucleon transfer part of the imaginary optical-model potential in colliding heavy ions. In the process of transfer of nucleons from one nucleus to the other, forward and backward neutrons and protons are treated separately by taking into consideration the effect of the Coulomb forces and the potential energy surfaces (driving forces). The Pauli exclusion principle is also incorporated properly in the calculation.
1988-08-08
Governor model for asymmetric deformed nuclei
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.
Disorder and superconductivity in A-15 compounds
International Nuclear Information System (INIS)
The universal depression of the superconducting transition temperature T/sub c/ in disordered A-15 compounds is examined. Existing energy-band calculations are used to calculate the density of electron states, which is possibly enhanced by disorder in some cases such as Nb_3Ge. The dramatic drop in T/sub c/ in Nb_3Ge at a critical value of the resistivity is attributed to overdamping of acoustic plasmons which decreases the electron pairing interaction despite small changes in the density of states.
Calculation of the imaginary part of the heavy ion potential
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.
1983-09-19
Calculation of the imaginary part of the heavy ion potential
International Nuclear Information System (INIS)
The paper contains a numerical evaluation of the expressions for the absorptive potential in heavy ion reactions given earlier. With a standard folding expression for the real part of the ion-ion potential general good agreement is found with experimental data for the angular distributions of elastic and inelastic scattering. Special interest is attached to the case of "1"6O + "2"8Si where the calculated imaginary potential is very small at low bombarding energies. (orig.).
Energy Technology Data Exchange (ETDEWEB)
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.
2003-06-01
Ab initio calculations in a uniform magnetic field using periodic supercells
Energy Technology Data Exchange (ETDEWEB)
We present a formulation of ab initio electronic structure calculations in a finite magnetic field, which retains the simplicity and efficiency of techniques widely used in first principles molecular dynamics simulations, based on plane-wave basis sets and Fourier transforms. In addition we discuss results obtained with this method for the energy spectrum of interacting electrons in quantum wells, and for the electronic properties of dense fluid deuterium in a uniform magnetic field.
2003-10-21
A microscopic description of neutron-rich lithium isotopes
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.
Structures, Vibrational And Electronic Properties Of (F2O)N (N=2-4) Clusters
International Nuclear Information System (INIS)
Recently, molecular clusters are the subject of several experimental and computational studies by means of their bonding structures. We studied, first time, small difluorine monoxide clusters such as dimer (linear, cyclic, bifurcated), trimer and tetramer structures using B3LYP variant of density functional theory with cc-pVDZ basis set. On the basis of the optimized geometry, various energy properties such as binding energy, molecular orbital energies, two and three body interaction energies have been calculated. Additionally dipole moment, polarizability, anisotropic polarizability and hyper polarizability have been calculated and compared with monomer structure.
2008-08-25
ON THE BINDING ENERGY PARAMETER #lambda# OF COMMON ENVELOPE EVOLUTION
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.
2010-06-10
Nuclear data activity at Atomic Energy Research Establishment, Savar, Dhaka
Energy Technology Data Exchange (ETDEWEB)
The nuclear data activity at AERE, Savar is briefly presented in this paper. Major thrust is on the customization of cross section libraries for general purpose reactor and shielding calculations. The processing codes that are available are NJOY91.91, some AMPX-Modules and the modules in SCALE-PC. Recent measurements on cross section data over the energy range 13-15 MeV at the Institute of Nuclear science and Technology have been reviewed. Measurements and calculations are based on the determination of excitation functions of neutron induced reactions on the elements and isotopes of FRT-relevant structural materials. (author).
1995-03-01
Energy control strategy for a hybrid electric vehicle
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.
2002-08-27
Energy Technology Data Exchange (ETDEWEB)
The electronic structure of octahedral metal atom clusters Me/sub 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.
1981-01-01
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)
2007-07-01
Energy Technology Data Exchange (ETDEWEB)
The expected interstellar antiproton spectrum arising from cosmic-ray interactions in the Galaxy is recalculated, and the modulation of both antiprotons and protons is calculated using a two-dimensional modulation model incorporating gradient and curvature drifts and a wavy current sheet as well as the usual diffusion, convection, and energy-loss effects. Significant differences in the antiproton/proton ratio for different solar magnetic field polarities are predicted as well as a 'low-energy' component for antiprotons below about 1 GeV. 28 refs.
1989-09-01
Virtual and resonance levels in screened Coulomb potentials
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.
2003-09-01
Photovoltaic module energy rating procedure. Final subcontract report
Energy Technology Data Exchange (ETDEWEB)
This document describes testing and computation procedures used to generate a photovoltaic Module Energy Rating (MER). The MER consists of 10 estimates of the amount of energy a single module of a particular type (make and model) will produce in one day. Module energy values are calculated for each of five different sets of weather conditions (defined by location and date) and two load types. Because reproduction of these exact testing conditions in the field or laboratory is not feasible, limited testing and modeling procedures and assumptions are specified.
1998-01-01
Fusion of the "8 Li + "2"0"8 Pb system at near-barrier energies studied via x n evaporation
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.
2004-12-01
Comparing Computer Run Time of Building Simulation Programs
Energy Technology Data Exchange (ETDEWEB)
This paper presents an approach to comparing computer run time of building simulation programs. The computing run time of a simulation program depends on several key factors, including the calculation algorithm and modeling capabilities of the program, the run period, the simulation time step, the complexity of the energy models, the run control settings, and the software and hardware configurations of the computer that is used to make the simulation runs. To demonstrate the approach, simulation runs are performed for several representative DOE-2.1E and EnergyPlus energy models. The computer run time of these energy models are then compared and analyzed.
2008-07-23
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.
Energy Technology Data Exchange (ETDEWEB)
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 ...
1983-01-01
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 ...
7871-01-01
UK PubMed Central (United Kingdom)
BackgroundThe pre-fusion form of the herpes simplex virus (HSV) fusion protein gB undergoes pH-triggered conformational change in vitro and during viral entry (Dollery...Full Text Available
Infinite dimensional algebra for all the (super-)field theories in four dimensions
International Nuclear Information System (INIS)
By reformulating the usual free massless field theories in terms of twistors we get systems which are invariant under an infinite dimensional algebra. This algebra contains the two-dimensional conformal algebra and the SU(2, 2) algebra as subalgebras. It turns out that these systems, which possess the four-dimensional complex manifold structure of the twistor space, can lead to a natural generalization of the notion of two-dimensional conformal field theories to four dimensions. (orig.).
1989-12-01
Conformational transitions of alternating purine-pyrimidine DNAs in perchlorate ethanol solutions.
UK PubMed Central (United Kingdom)
Conformational transitions of poly(dA-dC).poly(dG-dT), poly(dA-dT).poly(dA-dT), and other alternating purine-pyrimidine DNAs were studied in aqueous ethanol solutions containing molar concentrations...Full Text Available
1995-11-01
UK PubMed Central (United Kingdom)
BackgroundTo compare two strategies of dynamic intensity modulated radiation therapy (dIMRT) with 3-dimensional conformal radiation therapy (3DCRT) in the setting of hypofractionated...Full Text Available
UK PubMed Central (United Kingdom)
The aim of this study is to compare the dosimetry results that are obtained by using Convolution, Superposition and Fast Superposition algorithms in Conventional Radiotherapy, Three-Dimensional Conformal...Full Text Available
2009-01-01
Bosonization of conformal ghosts in Witten's string theory
International Nuclear Information System (INIS)
It is formulated Witten's proposal of a covariant open-string theory in terms of oscillator modes and shown that some basic axioms for the noncommutative geometry are obeyed as algebraic operations, which were defined previously from a geometrical point of view. Our strategy is based on the proper bosonization of the conformal ghost fields.
A new unified approach to bradyons and tachyons by conformal transformations
International Nuclear Information System (INIS)
By using linearized conformal transformations in six dimensions, a new unified approach to bradyons (v"2< c"2) and tachyons (v"2>c"2) is suggested, the essential tool being (real and imaginary) dilatations. The usual ''Generalized Lorentz transformations'' are got, In six dimensions the quadrate form is always positive, both for bradyons and for tachyons.
Energy analysis of biochemical conversion processes of biomass to bioethanol
Energy Technology Data Exchange (ETDEWEB)
Bioethanol is among the most promising of biofuels that can be produced from different biomass such as agricultural products, waste and byproducts. This paper reported on a study that examined the energy conversion of different groups of biomass to bioethanol, including lignocelluloses, starches and sugar. Biochemical conversion generally involves the breakdown of biomass to simple sugars using different pretreatment methods. The energy needed for the conversion steps was calculated in order to obtain mass and energy efficiencies for the conversions. Mass conversion ratios of corn, molasses and rice straw were calculated as 0.3396, 0.2300 and 0.2296 kg of bioethanol per kg of biomass, respectively. The energy efficiency of biochemical conversion of corn, molasses and rice straw was calculated as 28.57, 28.21 and 31.33 per cent, respectively. ...
2010-07-01
Representation blocks of conformal fields for the N=4 SU(2)$_{k}$ superconformal algebras
The representation theories of the SU(2).sub(k)-extended N=4 superconformal algebras (SCAs) with arbitrary level k are developed being based on their Feigin-Fuchs representations found recently by the present author. A basic unit of the representation blocks consisting of eight \\lq\\lq boson-like\\rq\\rq\\ and eight \\lq\\lq fermion-like\\rq\\rq\\ conformal fields is found to describe arbitrary representations of the $N$=4 SU(2)$_k$ SCAs, including {\\it unitary} and {\\it nonunitary} representations. The transformation properties of the fundamental sets of the conformal fields under the $N$=4 SU(2)$_k$ superconformal symmetries are given. Then, the whole sets of the charge-screening operators of the $N$=4 SU(2)$_k$ SCAs are identified out of the sixteen conformal fields in the basic unit of the representation blocks. The conditions for the {\\it eligible} charge-screening operators are analyzed in terms of the continuous ...
1994-01-01
Shell-model calculations for neutron-rich nuclei in the 0f1p shell
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.)).
1995-04-17
Shell-model calculations for neutron-rich nuclei in the 0f1p shell
International Nuclear Information System (INIS)
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 "4"8Ca. 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 "5"0"-"5"2Ca, "5"1"-"5"2Sc and "5"1"-"5"2Ti 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.)).
Semiclassical calculation of photon-stimulated Schwinger pair creation
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.
2010-04-15
Electronic structure and superconductivity of europium
International Nuclear Information System (INIS)
We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane-wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schroedinger equation to move the occupied 4f valence states below the #GAMMA#_1 energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the bcc and hcp structures are also found to agree with and follow a T_c trend similar to recent measurement by Debessai et al.
2010-09-01
Electronic energy bands and optical properties of LaH"2 and NdH"2
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).
Electron-phonon spectral function and mass enhancement of niobium
International Nuclear Information System (INIS)
The electron-phonon spectral distribution function #alpha#"2(#omega#) F (#omega#) has been calculated for niobium. The electron energy bands and wave functions were obtained from a self-consistent augmented-plane-wave muffin-tin potential, and the electron-phonon matrix elements were evaluated using the so-called rigid-ion approximation. With this approximation it is found that #alpha#"2(#omega#) is constant over the whole energy spectrum. The electron-phonon mass enhancement has also been calculated for local regions of the Fermi surface and found to be anisotropic. The calculated local values of the enhancement do not agree with experimental values available for different orbits from de Haas--van Alphen measurements. The discrepancy seems to arise because the bare-rigid-ion matrix elements are relatively small between states with nearly pure l = 2 character.
Crystal Field Studies on MgGa2O4:Ni2+
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.
2010-08-04
A study of the isomeric ratio for the (n,2n) and (#betta#,n) reactions in Mo92, Zr90, Sr86 and Se74
International Nuclear Information System (INIS)
Measurements are made of the isomeric ratio for the (n,2n) and (#betta#,n) reactions on the neutron-deficient nuclei _9_2Mo, _9_0Zr, _8_6Sr and _7_4Se. A method is developed for calculating the isomeric ratio for a low excitation energy of the residual nucleus. The good agreement found between experimental results and calculations for the (#betta#,n) reaction confirms the choices of residual nucleus characteristics, transmission coefficients of neutrons emitted etc. used in the calculations. The results of a study of the (n,2n) reaction were used to find the spin dependences of nuclear level density in the excitation energy region approx. 14 MeV. (author).
1998-10-01
Including the relativistic kinetic energy in a spline-augmented plane-wave band calculation
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 ...
Energy transfer study of europium-tetracycline complexes
Energy Technology Data Exchange (ETDEWEB)
The aim of this work was to study the energy transfer mechanisms from the ligand to the central lanthanide ion of tetracycline-europium (Tc-Eu) complex. The absorption spectra of a EuCl{sub 3}.H{sub 2}O solution was measured and absorption cross-section of Eu{sup 3+} was estimated. The observed overlap predicts a resonant energy transfer from Tetracycline to Eu{sup 3+}. The microscopic parameter of energy transfer was obtained using the overlap integral calculation considering a dipole-dipole energy transfer mechanism and results were compared considering an energy transfer by exchange. In this work, we report also the optical properties of Tc-Eu complex when urea hydrogen peroxide is added to the aqueous solution.
2007-01-15
What density-functional theory can tell us about the spin-density wave in
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)
2002-04-01
The kinetic rate constants for the cracking, isomerization, and disproportionation of n-heptane over a CrHNaY (32% chromium exchanged) zeolite catalyst at 400, 450, and 470/sup 0/C have been calculated. The interaction of n-heptane with a model Lewis acid such as BF/sub 3/ and progress along the reaction coordinate have been studied by means of molecular orbital calculations. From the kinetic results, i.e., activation energies and frequency factors, and the theoretical calculations, it can be concluded that the controlling step in these reactions is not the formation of the carbonium ion, but the subsequent transformation of this carbonium ion. In addition, the theoretical calculations show that the attack of a Lewis acid is more likely to occur on a carbon atom than on a C-H bond.
1982-09-01
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.
2005-06-01
Economic thickness for industrial insulation
Energy Technology Data Exchange (ETDEWEB)
This manual is presented in 8 chapters plus appendices. Chapters 1 and 2 are included as background information. The economic insulation thickness is found using the following chapters: Chapter 3, cost of energy (heat and refrigeration); Chapter 4, cost of insulation, and Chapter 5, economic thickness determination. Each of these chapters contains a worksheet, which provides a step-by-step procedure for solving the problem. Nomographs are included in each section for simplifying the required calculations. For subambient temperature systems, the economic insulation thickness calculated with Chapters 3 to 5 should be compared to the thickness required to prevent condensation (sweating), as calculated with Chapter 6. Chapter 7 presents the procedure for calculating economic insulation for retrofit situations. Sample problems are included in Chapter 8.
1983-01-01
Dielectronic recombination into excited levels of Ne-like titanium from F-like low-lying states
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 ...
1993-01-01
Comparing dose calculation algorithms for an orthovoltage beam in a bone phantom
International Nuclear Information System (INIS)
The aim of this work was to compare dose calculation algorithm results at orthovoltage energies for a phantom composed of a bone slab in water. The calculation methods investigated were: no correction, ETAR, Batho, convolution/superposition and Monte Carlo. All algorithms calculated depth dose curves in a water phantom within 4% of experiment. However in the bone phantom, differences of over 40% between the No Correction / ETAR / Batho / Convolution and Monte Carlo results in the 1 cm thick bone slab were observed. These differences are predominantly because the algorithms do not account for the differing atomic number of the bone compared to water The increased dose to bone and the tissue adjacent to the bone interface should be considered when treating with orthovoltage photons. Copyright (1998) Australasian Physical and Engineering Sciences in Medicine
1998-09-01
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 ...
1987-07-01
Augmented-plane-wave calculations on small molecules
International Nuclear Information System (INIS)
We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and ...
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 ...
Generalized hybrid derivative coupling model for finite nuclei
Energy Technology Data Exchange (ETDEWEB)
The generalized hybrid derivative coupling model has been applied to explore various ground state properties of different nuclei. In this work we have confined our calculation only to the model characterized by the hybridization parameter {alpha} = 1/4 which gives better results than the other models of the same class, as we have seen earlier, for nuclear matter calculations. The binding energy, single-particle energy spectra, density and charge radii of different doubly closed nuclei like {sup 16}O, {sup 40}Ca, {sup 48}Ca, {sup 90}Zr, {sup 132}Sn, {sup 208}Pb have been studied. The success of this model, in describing the doubly closed nuclei, motivates us to extend this calculation further in the case of open shell nuclei after incorporating the pairing interaction and using a BCS transformation. We have calculated the binding energy for ...
2001-03-01
Range and energy loss rate of 118 MeV "2"8Si in some polymers
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)
1999-01-01
Potential Hazards from Neutrino Radiation at Muon Colliders
High energy muon colliders, such as the TeV-scale conceptual designs now being considered, are found to produce enough high energy neutrinos to constitute a potentially serious off-site radiation hazard in the neighbourhood of the accelerator site. A general characterization of this radiation hazard is given, followed by an order-of-magnitude calculation for the off-site annual radiation dose and a discussion of accelerator design and site selection strategies to minimize the radiation hazard.
1999-01-01
Nuclear level densities in self-consistent field approximation
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).
1976-01-01
Energy Technology Data Exchange (ETDEWEB)
Thermodynamic analysis of dissolution processes of tungsten minerals in citric acid solutions in the absence and in the presence of hydrochloric acid has been carried out by means of calculation of Gibbs energy of the chemical reactions. Kinetic characteristics, such as specific dissolution rates and activation energies, are determined. It is established that the dissolution reactions studied take place in kinetic region. A possibility of scheelite selective dissolution in the presence of other tungsten minerals is shown.
1985-03-01
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.
1987-09-01
International Nuclear Information System (INIS)
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.
Clinical helical tomotherapy commissioning dosimetry
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.
2003-12-01
Convolution/superposition using the Monte Carlo method
International Nuclear Information System (INIS)
The convolution/superposition calculations for radiotherapy dose distributions are traditionally performed by convolving polyenergetic energy deposition kernels with TERMA (total energy released per unit mass) precomputed in each voxel of the irradiated phantom. We propose an alternative method in which the TERMA calculation is replaced by random sampling of photon energy, direction and interaction point. Then, a direction is randomly sampled from the angular distribution of the monoenergetic kernel corresponding to the photon energy. The kernel ray is propagated across the phantom, and energy is deposited in each voxel traversed. An important advantage of the explicit sampling of energy is that spectral changes with depth are automatically accounted for. No spectral or kernel hardening corrections are needed. ...
2003-07-21
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.
2007-01-01
Nonlinear dynamic analysis of high energy line pipe whip
Energy Technology Data Exchange (ETDEWEB)
This paper describes a nonlinear dynamic analysis of TVA high energy line pipe whip tests using the ABAQUS-EPGEN code. The analysis considers the effects of large deformation and strain rate on resisting moment and energy absorption capability. The numerical results of impact forces, impact velocities, pipe strains, and reaction forces at pipe supports are compared to the TVA test data. The calculated pipe whip impact time and forces are also compared with those predicted using current industry practice. The calculated pipe support reaction forces are found to be in good agreement with the TVA test data except for some peak values at the very beginning of the pipe break. These peaks are believed to be due to stress wave propagation which cannot be addressed by the ABAQUS code. Both elbow crushing and strain rate have been approximately simulated. The effects are found to be important for pipe whip ...
1984-02-01
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.
2006-11-01
Ab initio pseudopotential calculations of carbon impurities in Si
Energy Technology Data Exchange (ETDEWEB)
Ab initio planewave pseudopotential method is used to study carbon diffusion and pairing in crystalline silicon. The calculation is performed with a 40 Ry planewave cutoff and 2x2x2 special k-point sampling with a supercell of 64 atoms. It is found that substitutional carbon attracts interstitial Si forming a <001> C interstitial with a large binding energy of 1.45 eV. The interstitial carbon is mobile and can migrate with a migration energy of 0.5 eV. The interstitial carbon can bind further to another substitutional carbon forming a substitutional carbon-interstitutional carbon pair with a binding energy of 1.0 eV. This model is used to understand the effect of high C concentration on the transient enhanced diffusion in Si.
1997-11-01
Visual search behaviour in skeletal radiographs: a cross-speciality study
Energy Technology Data Exchange (ETDEWEB)
Aim: To determine whether experience improves the consistency of visual search behaviour in fracture identification in plain radiographs, and the effect of specialization. Material and methods: Twenty-five observers consisting of consultant radiologists, consultant orthopaedic surgeons, orthopaedic specialist registrars, orthopaedic senior house officers, and accident and emergency senior house officers examined 33 skeletal radiographs (shoulder, hand, and knee). Eye movement data were collected using a Tobii 1750 eye tracker with levels of diagnostic confidence collected simultaneously. Kullback-Leibler (KL) divergence and Gaussian mixture model fitting of fixation distance-to-fracture were used to calculate the consistency and the relationship between discovery and reflective visual search phases among different observer groups. Results: Total time spent studying the radiograph was not significantly different between the groups. However, the expert groups had a ...
2007-11-15
Energy Technology Data Exchange (ETDEWEB)
Incorporation of /sup 32/P from (gamma-32P)ATP into tyrosine residues of the insulin-like growth factor (IGF)-II receptor was observed in a Triton X-100-insoluble fraction of rat adipocyte plasma membranes. IGF-II receptor phosphorylation proceeded to a stoichiometry of approximately 0.5 mol of phosphate/IGF-II binding site after 10 min of incubation at 4 degrees C. A Km for ATP of 6 microM was calculated for this phosphorylation reaction. Addition of IGF-II caused an approximately 2-fold increase in tyrosine phosphorylation of the IGF-II receptor in this preparation. In contrast, phosphorylation of angiotensin II by the Triton X-100 washed membranes was not stimulated by IGF-II. Incubation of purified receptor immobilized on IGF-II agarose or of receptor-enriched low density microsomal membranes with (gamma-32P)ATP did not result in appreciable incorporation of (/sup 32/P)phosphate into the IGF-II receptor nor into exogenous substrates. These data suggest that the ...
1986-06-15
International Nuclear Information System (INIS)
High-resolution "1H and "3"1P nuclear magnetic resonance spectroscopy has been used to investigate the binding of 2,3-diphosphoglycerate to human normal adult hemoglobin and the molecular interactions involved in the allosteric effect of the 2,3-diphosphoglycerate molecule on hemoglobin. Individual hydrogen ion NMR titration curves have been obtained for 22-26 histidyl residues of hemoglobin and for each phosphate group of 2,3-diphosphoglycerate with hemoglobin in both the deoxy and carbonmonoxy forms. The results indicate that 2,3-diphosphoglycerate binds to deoxyhemoglobin at the central cavity between the two #beta# chains and the binding involves the #beta#2-histidyl residues. Moreover, the results suggest that the binding site of 2,3-diphosphoglycerate to carbonmonoxyhemoglobin contains the same (or at least some of the same) amino acid residues responsible for binding in the deoxy form. As a result of the specific interactions with 2,3-diphosphoglycerate, the #beta#2-histidyl ...
Routine environmental audit of the Y-12 Plant, Oak Ridge, Tennessee
Energy Technology Data Exchange (ETDEWEB)
This report documents the results of the routine environmental audit of the Oak Ridge Y-12 Plant (Y-12 Plant), Anderson County, Tennessee. During this audit, the activities conducted by the audit team included reviews of internal documents and reports from previous audits and assessments; interviews with U.S. Department of Energy (DOE), State of Tennessee regulatory, and contractor personnel; and inspections and observations of selected facilities and operations. The onsite portion of the audit was conducted August 22-September 2, 1994, by the DOE Office of Environmental Audit (EH-24), located within the Office of Environment, Safety and Health (EH). DOE 5482.1 B, {open_quotes}Environment, Safety, and Health Appraisal Program,{close_quotes} establishes the mission of EH-24 to provide comprehensive, independent oversight of DOE environmental programs on behalf of the Secretary of Energy. The ultimate goal of EH-24 is enhancement of environmental ...
1994-09-01
AECL IMPELA electron beam industrial irradiators
International Nuclear Information System (INIS)
A family of industrial irradiators is being developed by AECL to cover an electron-beam energy range from 5 to 18 MeV at beam powers between 20 and 250 kW. The IMPELA family of irradiators is designed for push button, reliable operation. The major irradiator components are modular, allowing for later upgrades to meet increased demands in either electron or X-ray mode. Interface between the control system, irradiator availability and dose quality assurance is in conformance with the most demanding specifications. The IMPELA irradiators use a klystron-driven, standing-wave, L-band accelerator structure with direct injection from a rugged, triode electron gun. Direct control of the accelerating field during the beam pulse ensures constant output beam energy, independent of beam power. The first member of the family, the IMPELA 10/50 (10 MeV, 50 kW), is in the final stages of assembly at Chalk River Nuclear Laboratories. The ...
Fully relativistic analysis of the absorption spectra of Ca_3Sc_2Ge_3O_1_2:Ni"2"+
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 ...
2006-10-01
Elastic scattering of 27.2 MeV alpha particle on "4"0Ca nucleus
International Nuclear Information System (INIS)
Elastic scattering of 27.2 MeV #alpha# particles on "4"0Ca has been investigated. Differential cross sections have been measured in the angular range from 10 deg to 175 deg in the lab. system. The theoretical analysis has proceeded from the proposition that the results of a calculation based on the optical model in the range of small angles (less than 20 deg for "4"0Ca) are independent of parameters and shape of the potential employed. Elastic scattering of #alpha# particles at angles up to 50 deg has been calculated using three sets of the optical potential parameters in the energy range 23.37-28.92 MeV. In the range of small angles a rather similar behaviour of the calculated curves can be observed whereas in the range of medium and large angles these curves behave very differently. The success in the reproduction of the angular distributions for the entire energy range is ...
Advanced nuclear data for radiation-damage calculations
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 ...
1983-01-01
International Nuclear Information System (INIS)
State-of-the-art approaches for the calculation of gamma heating in LMFBR core, blanket and reflector regions have been evaluated, with particular emphasis on coupled neutron-gamma methods/cross section sets. The major source of calculational error was found to be the apparent failure to impose a mass-energy balance on total gamma energy yield from neutron capture and other interactions in the preparation of representative neutron-gamma cross section sets. The applicability of many simplifying assumptions was demonstrated, including: volume-weighted homogenization, insensitivity to the shape of the gamma-source-spectrum, gamma energy deposition equal to gamma energy source more than 10 cm inside large zones of uniform composition, and the negligible effect of bremsstrahlung. A simple one-group method was developed to permit rapid, accurate estimation of the ...
1976-01-01
Geothermal energy technology: issues, R and D needs, and cooperative arrangements
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 ...
1987-01-01
Dosimetric characteristics of backscattered electrons in lead
Energy Technology Data Exchange (ETDEWEB)
In electron beam therapy, tissue overdose due to electrons backscattered from lead has been profusely studied. To quantify this dose enhancement effect, an electron backscatter factor (EBF) wasdefined as the ratio of dose at the tissue-inhomogeneity interface with and without the scatterer present. The dependence of the EBF on energy at the scatterer surface is not well known for energies lower than 3 MeV which is the most frequent clinical situation. In this work, we have done Monte Carlo calculations with the GEANT code to study EBF in lead at this energy range. The applicability of this code and the developed procedure for dose estimation has been experimentally verified. The dependence of the EBF on the beam energy incident on the scatterer has been studied for different nominal beam energies incident at the phantom's surface. The results show a ...
2000-07-01
Study of penetration depth for V"+ with low energy implanted in peanut seeds
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
2002-11-01
Energy Technology Data Exchange (ETDEWEB)
A simple theory for predicting the convective energy loss from side-facing cavity receivers in windless environments has been developed. The approach used is to determine the velocity distribution of the incoming air in the aperture plane (and thereby the rate of mass entrainment); and then to estimate the bulk temperature of the heated emerging air. The convective loss is then calculated from an energy balance. To illustrate this theory, numerical results applicable to the 2.15 meter cubic cavity being tested in the laboratory are provided.
1981-01-01
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.
1982-04-01
Proton production in the kinematically forbidden region
Energy Technology Data Exchange (ETDEWEB)
Proton production in pA interactions in the kinematically forbidden region is studied using the intranuclear cascade model for the primary proton energies 7.5 and 8.9 GeV/c. The region of secondary-proton kinetic energies above 100 MeV, where the contribution from the post-cascade stages of the interaction is small, is studied. The calculated energy and angular spectra are in good agreement with the experimental ones. The mechanisms of multiple rescattering of particles on the nucleons of the nucleus and ..pi..-meson absorption on a two-nucleon flucton are analyzed. The kinematical ranges where these mechanisms operate are determined.
1985-08-01
Production of secondary Deuterium in the atmosphere at various latitudes
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.
1995-09-01
Energy Levels of Phosphorus, P I through P XV
Energy level data are given for the atom and all positive ions of phosphorus (Z = 15). These data have been critically compiled, mainly from published and unpublished material on measurements and analyses of the optical spectra. We have derived or recalculated the levels for a number of the ions. In addition to the level values in cm/sup -1/ and the parity, the J value and the configuration and term assignments are listed if known. Leading percentages from the calculated eigenvectors are tabulated or quoted wherever available. Ionization energies are given for all spectra.
1985-07-01
Collective ion acceleration by a reflexing electron beam: model and scaling. Memorandum report
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.
1984-05-11
Sub-barrier fusion reactions for synthesis of "2"9"8114
International Nuclear Information System (INIS)
Favorable reaction channels are searched for in order to obtain the superheavy element "2"9"8114. The interaction energy is supposed to comply with the adiabatic hypothesis. Concerning the deformation energy, a very complete binary macroscopic-microscopic energy method is used to perform calculations. Deformed two-center shell model provides the energy level schemes for shell effects. Yukawa-plus-exponential model gives the macroscopic (liquid drop) part of the total energy. The mass tensor is obtained by the Werner-Wheeler irrotational flow hypothesis. Finally the minimization of the multidimensional action integral produces the highest penetrability values. Kr-projectile reactions provide the best pairs, although generally the presentabilities are very low. (author)
2005-01-01
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...
2011-01-01
Feynman graphs and generalized eikonal approach to high energy knock-out processes
International Nuclear Information System (INIS)
The cross section of hard semiexclusive A(e,e"'N)(A-1) reactions for fixed missing energy and momentum is calculated within the eikonal approximation. Relativistic dynamics and kinematics of high energy processes are unambiguously accounted for by using the analysis of appropriate Feynman diagrams. A significant dependence of the final state interactions on the missing energy is found, which is important for interpretation of forthcoming color transparency experiments. A new, more stringent kinematic restriction on the region where the contribution of short-range nucleon correlations is enhanced in semiexclusive knock-out processes is derived. It is also demonstrated that the use of light-cone variables leads to a considerable simplification of the description of high energy knock-out reactions. copyright 1997 The American Physical Society.
Electron-impact excitation of Si"3"+(3s#->#3p) using a merged-beam electron-energy-loss technique
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.
Architects and engineers guide to energy conservation in existing buildings
Energy Technology Data Exchange (ETDEWEB)
The manual enhances and simplifies the work of those architects and engineers whose practice includes the analysis and modification of existing buildings to reduce both fuel consumption and operating costs. A review of the principles of energy use and conservation is given. The manual also provides a step-by-step methodology for assessing and improving the year-round energy performance of buildings, as well as a series of forms, charts, and nomographs designed to serve as day-to-day tools in the energy professional's toolbox. After a cost-benefit analysis is prepared for each conservation opportunity, the owner will be able to implement decisions based on projected energy savings and calculate investment costs, operational changes, and payback periods. Each of these considerations is accorded a detailed treatment.
1980-02-01
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 ...
1993-03-01
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 ...
1993-03-01
Real-time neutron scattering investigations of biological signal transduction dynamics
Energy Technology Data Exchange (ETDEWEB)
During their catalytic cycle, proteins involved in biological signal transduction undergo unexpectedly large conformational changes, which are at the core of their biological functioning. Until now it has been extremely difficult to obtain experimental insight into the nature of these conformational changes. Mathematical modeling and time-resolved X-ray crystallography have resulted in probable routes along which these conformational changes may take place, but so far this fundamental biological phenomenon has hardly been tackled experimentally. Here, we report on an attempt to observe structural changes in Photoactive Yellow Protein with time-resolved small-angle neutron scattering using diffractometer D22 at the high-flux reactor of the Institut Laue-Langevin, Grenoble, France.
2005-07-01
Real-time neutron scattering investigations of biological signal transduction dynamics
International Nuclear Information System (INIS)
During their catalytic cycle, proteins involved in biological signal transduction undergo unexpectedly large conformational changes, which are at the core of their biological functioning. Until now it has been extremely difficult to obtain experimental insight into the nature of these conformational changes. Mathematical modeling and time-resolved X-ray crystallography have resulted in probable routes along which these conformational changes may take place, but so far this fundamental biological phenomenon has hardly been tackled experimentally. Here, we report on an attempt to observe structural changes in Photoactive Yellow Protein with time-resolved small-angle neutron scattering using diffractometer D22 at the high-flux reactor of the Institut Laue-Langevin, Grenoble, France
2005-04-11
Grating cloaks are a variation of dielectric carpet (or ground- plane) cloaks. The latter were introduced by Li and Pendry. In contrast to the numerical work involved in the quasi-conformal carpet cloak, the refractive-index profile of a conformal grating cloak follows a closed and exact analytical form. We have previously mentioned that finite-size conformal grating cloaks may exhibit better cloaking than usual finite-size carpet cloaks. In this letter, we directly visualize their performance using photorealistic ray-tracing simulations. We employ a Newtonian approach that is advantageous compared to conventional ray tracing based on Snell's law. Furthermore, we quantify the achieved cloaking quality by computing the cross-correlations of rendered images. The cross-correlations for the grating cloak are much closer to 100% (i.e., ideal) than those for the Gaussian carpet cloak.
2010-01-01
British Library Electronic Table of Contents (United Kingdom)
Conformationally constrained analogue synthesis was undertaken to aid in pharmacophore mapping and 3D-QSAR analysis of nitrobenzylmercaptopurine riboside (NBMPR) congeners as equilibriative nucleoside transporter 1 (ENT1) inhibitors. In our previous study [J. Med. Chem. 2003, 46, 831-837], novel regioisomeric nitro-1,2,3,4-tetrahydroisoquinoline conformationally constrained analogues of NBMPR were synthesized and evaluated as ENT1 ligands. 7-NO2-1,2,3,4-Tetrahydroisoquino-2-yl purine riboside was identified as the analogue with the nitro group in the best orientation at the NBMPR binding site of ENT1. In the present study, further conformational constraining was introduced by synthesizing 5prime-O,8-cyclo derivatives. The flow cytometrically determined binding affinities indicated that the...
2008-01-01
A new higher-spin algebra and the lone-star product
International Nuclear Information System (INIS)
In two recent papers, we constructed a new N#->##infinity# limit of the W_N algebras, which we denote W_#infinity# having generators of conformal spins 2, 3, ..., with central terms for all spins. In this paper, we construct another new algebra, which we denote W_1_+_#infinity#, with generators of conformal spins, 1, 2, 3, ..., again with central terms for all spins. The requirement that the algebras be closed requires that one include the spin-1 generators in W_1_+_#infinity#, and prohibits their inclusion in W_#infinity#. Paralleling our analogous construction for W_#infinity#, we show that the new algebra can also be realised as the antisymmetric part of an associative 'lone-star' product, which also closes on the set of generators with conformal spins #>=#1. (orig.).
1990-06-01
International Nuclear Information System (INIS)
Background and purpose: The low density of lung tissue causes a reduced attenuation of photons and an increased range of secondary electrons, which is inaccurately predicted by the algorithms incorporated in some commonly available treatment planning systems (TPSs). This study evaluates the differences in dose in normal lung tissue computed using a simple and a more correct algorithm. We also studied the consequences of these differences on the dose-effect relations for radiation-induced lung injury. Materials and methods: The treatment plans of 68 lung cancer patients initially produced in a TPS using a calculation model that incorporates the equivalent-pathlength (EPL) inhomogeneity-correction algorithm, were recalculated in a TPS with the convolution-superposition (CS) algorithm. The higher accuracy of the CS algorithm is well-established. Dose distributions in lung were compared using isodoses, dose-volume histograms (DVHs), the mean lung dose (MLD) and the ...
2003-10-01
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 ...
2010-06-01
Chemical-equilibrium calculations for aqueous geothermal brines
Energy Technology Data Exchange (ETDEWEB)
Results from four chemical-equilibrium computer programs, REDEQL.EPAK, GEOCHEM, WATEQF, and SENECA2, have been compared with experimental solubility data for some simple systems of interest with geothermal brines. Seven test cases involving solubilities of CaCO/sub 3/, amorphous SiO/sub 2/, CaSO/sub 4/, and BaSO/sub 4/ at various temperatures from 25 to 300/sup 0/C and in NaCl or HCl solutions of 0 to 4 molal have been examined. Significant differences between calculated results and experimental data occurred in some cases. These differences were traced to inaccuracies in free-energy or equilibrium-constant data and in activity coefficients used by the programs. Although currently available chemical-equilibrium programs can give reasonable results for these calculations, considerable care must be taken in the selection of free-energy data and methods of calculating activity ...
1981-05-01
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.
2011-01-01
Energy Technology Data Exchange (ETDEWEB)
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/sup 0/ and 130/sup 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 ...
1982-01-01
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 ...
Short-term energy outlook, Quarterly projections. Third quarter 1993
Energy Technology Data Exchange (ETDEWEB)
The Energy Information Administration (EIA) prepares quarterly, short-term energy supply, demand, and price projections for publication in February, May, August, and November in the Short-Term Energy Outlook (Outlook). An annual supplement analyzes the performance of previous forecasts, compares recent cases with those of other forecasting services, and discusses current topics related to the short-term energy markets. (See Short-Term Energy Outlook Annual Supplement, DOE/EIA-0202.) The forecast period for this issue of the Outlook extends from the third quarter of 1993 through the fourth quarter of 1994. Values for the second quarter of 1993, however, are preliminary EIA estimates (for example, some monthly values for petroleum supply and disposition are derived in part from weekly data reported in the Weekly Petroleum Status Report) or are calculated from ...
1993-08-04
Adsorption-introduced MC simulation technique for segregation studies in Pd-Ag nanoparticles
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 ...
2000-09-01
Fragment angular momenta in low and medium energy fission of /sup 242/Pu
Energy Technology Data Exchange (ETDEWEB)
Independent isomeric yield ratios of /sup 128/Sb were determined radiochemically in the thermal neutron induced fission of /sup 241/Pu and 34 MeV alpha particle induced fission of /sup 238/U, both involving the same compound nucleus (/sup 242/Pu). Fragment angular momenta estimated from the measured isomer ratios using the statistical model analysis showed significantly larger fragment angular momenta in the medium energy fissioning system compared to the low energy fissioning system. This has been attributed to the effect of higher excitation energy and angular momentum in the entrance channel leading to increased fragment temperature, moments of inertia and angular velocity. An attempt was made to calculate the fragment angular momentum in the medium energy fission using the Fermi gas model for the fissioning nucleus, taking into account the multichance fission, saddle shapes of ...
1987-06-01
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 ...
2001-03-01
Reference neutron transport calculation note for Korea nuclear power plants with 3-loop PWR reactors
Energy Technology Data Exchange (ETDEWEB)
Reactor pressure vessel (RPV) steels are subjected to neutron irradiation at a temperature of about 290 deg C. This radiation exposure alters the mechanical properties, leading to a shift of the brittle-to-ductile transition temperature toward higher temperatures and to a diminution of the rupture energy as determined by Charpy V-notch tests. This radiation embrittlement is one of the important aging factors of nuclear power plants. U.S. NRC recommended the basic requirements for the determination of the pressure vessel fluence by regulatory guide DG-1025 in order to reduce the uncertainty in the determination of neutron fluence calculation and measurements. The determination of the pressure vessel fluence is based on both calculations and measurements. The fluence prediction is made with a calculation and the measurements are used to qualify the calculational methodology. Because ...
1997-05-01
Transverse glow discharges in supersonic air and methane flows
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...
2006-01-01
The 2s{sup 1}2p{sup 4} autodetachment resonance in the C{sup -} negative ion
Energy Technology Data Exchange (ETDEWEB)
The calculations of the photodetachment cross section for the C{sup -} negative ion has been performed within the newly-developed many-body theory method, the RPAE interchannel interaction and dynamic relaxation and polarization corrections being included. The 2s{sup 1}2p{sup 4} shape resonance is shifted to a higher photon energy and broadens as compared to the resonance parameters determined earlier within the RPAE, which is consistent with the experimental evidence and the recent R-matrix calculations. (orig.) 18 refs.
1998-08-10
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
2006-10-21
Static and dynamic muonic-atom codes-MUON and RURP
International Nuclear Information System (INIS)
Muonic-atom energy levels and wave functions are calculated. The results are corrected for nearly all important static effects, including finite nuclear size as produced by a user-specified nuclear charge distribution. Fourth-order Runge-Kutta integration of the radial Dirac equations, with the secant method determining the eigenvalues. Corrections are either included as potentials in the Dirac equations or computed as first-order perturbations. The code assumes spherical symmetry, so that effects of nuclear deformation may be treated only as static first-order perturbations. Dynamic muon-electron and muon-nuclear effects are neglected (the latter are calculated by RURP). (Auth.).
1979-02-01
Relativistic mean field study of light nuclei
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.).
Energy Technology Data Exchange (ETDEWEB)
RADSOLVER is a computer program which calculates the radiation energy transport in cavity type receivers having an arbitrary number of apertures through which collimated beams of solar radiation enter. In contrast to the common assumption of gray (or semi-gray) surfaces used in the modeling of radiation transport, RADSOLVER accounts for the wavelength-dependence of emission, absorption and reflection with a band model of the radiative properties. It is intended that this report serve both as an instruction manual for the use of the RADSOLVER code and a vehicle for presenting the underlying theory. Illustrative examples along with input and output are presented.
1981-09-01
New diffractional approach to proton-nucleus scattering
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.
2002-11-01
International Nuclear Information System (INIS)
The self-consistent relativistic linearized-augmented-plane-wave method is applied to local-density calculation of electronic structure of TmS. It is found that thulium monosulphide is a compound with a trivalent state of thulium. The influence of spin-orbital interaction is shown for different symmetry states of electrons. Calculated densities of states are used for the estimation of the electron-phonon coupling constant. And in conclusion it is shown that TmS is a high temperature Kondo-like system. (author).
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).
1991-01-01
Energy-band-structure studies of NbN(100) and VN(100)
Energy Technology Data Exchange (ETDEWEB)
Band-structure studies of NbN and VN are reported. The results of angle-resolved photoemission experiments performed on NbN/sub 0.93/ and VN/sub 0.89/ are presented. The bulk-band structures calculated for stoichiometric NbN and VN using the linearized augmented-plane-wave method are presented and utilized in the interpretation of the experimental spectra. It is shown that most of the features in the spectra can be accounted for by direct bulk-band transitions. A fairly good agreement between experimental and calculated band locations and dispersions is obtained.
1985-07-15
Ab initio study of the elastic anomalies in Pd-Ag alloys
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.
2009-02-15
"4"8Ca(d,n)"4"9Sc reaction at 79 MeV
International Nuclear Information System (INIS)
We measured differential cross sections and vector analyzing powers for the "4"8Ca(d,n)"4"9Sc reaction at 79 MeV. An overall energy resolution of about 325 keV was achieved, and data were extracted for states up to 3.4 MeV of excitation. Both distorted-wave Born approximation and Johnson-Soper adiabatic approximation calculations were performed; in general, the Johnson-Soper adiabatic approximation calculations provide a better description of the data, and yield reasonable spectroscopic factors.
The interaction of fast alpha particles with pellet ablation clouds
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, ...
In a relativistic density-functional theory the importance of the transverse photon contribution to the exchange potential in the high-density regime is pointed out. A neutral atom /sup 92/U is studied and its orbital energies calculated in the present scheme are compared with previous calculations based on relativistic Hartree, Dirac-Slater, and Dirac-Fock schemes and with experimental values from (electron spectroscopy for chemical analysis) ESCA studies. The present scheme is also used to calculate the orbital and total energies of some highly stripped ions of the Li isoelectronic sequence which occur as impurities in controlled thermonuclear plasma. These energies are found to be in close agreement with more involved Dirac-Fock results. Also, the relativistic effects significantly increase in going from C/sup 3 +/ to W/sup 71 +/ because the electronic ...
1980-07-01
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.
British Library Electronic Table of Contents (United Kingdom)
A convolution/superposition method is proposed for use with primary and scatter dose kernels formed for energy bins of X-ray spectra reconstructed as a function of off-axis distance. It should be noted that the number of energy bins is usually about ten, and that the reconstructed X-ray spectra can reasonably be applied to media with a wide range of effective Z numbers, ranging from water to lead. The study was carried out for 10-MV X-ray doses in water and thorax-like phantoms with the use of open-jaw-collimated fields. The dose calculations were made separately for primary, scatter, and electron contamination dose components, for which we used two extended radiation sources: one was on the X-ray target and the other on the flattening filter. To calculate the in-air beam intensities at po...
2011-01-01
UK PubMed Central (United Kingdom)
PurposeWe conducted a comparative study of Clinical Target Volume (CTV) definition of pelvic lymph nodes by multiple GU radiation oncologists looking at the levels...Full Text Available
2009-06-01
Two amyloid states of the prion protein display significantly different folding patterns
UK PubMed Central (United Kingdom)
SummaryIt has been well established that a single amino acid sequence can give rise to several conformationally distinct amyloid states. The extent to which amyloid structures...Full Text Available
2010-07-23
UK PubMed Central (United Kingdom)
The genes which encode glycosomal glyceraldehyde-phosphate dehydrogenase (gGAPDH) of Trypanosoma cruzi are arranged as a tandemly repeated pair on a single chromosome and are identical at the level...Full Text Available
1990-09-01
UK PubMed Central (United Kingdom)
A combined approach based on the use of ATR-FT/IR and steady-state fluorescence spectroscopy allowed to shed light on the effects of the additive methoxypolyethylene glycol (MePEG) on the hydration,...Full Text Available
2008-10-01
Quantum group structure in the unitary minimal model
Energy Technology Data Exchange (ETDEWEB)
We obtain a symmetry algebra for any unitary minimal model by using the representation of conformal field theories. This symmetry algebra can be interpreted as a quantum group. The generalization to non-unitary minimal models is direct. (orig.).
1989-10-05
Quantum group structure in the unitary minimal model
International Nuclear Information System (INIS)
We obtain a symmetry algebra for any unitary minimal model by using the representation of conformal field theories. This symmetry algebra can be interpreted as a quantum group. The generalization to non-unitary minimal models is direct. (orig.).
UK PubMed Central (United Kingdom)
The parathyroid hormone receptor (PTHR) is a class B G protein-coupled receptor that plays critical roles in bone and mineral ion metabolism. Ligand binding to the PTHR involves interactions to both...Full Text Available
2008-10-28
Photophysics and optical switching in green fluorescent protein mutants
UK PubMed Central (United Kingdom)
We demonstrate by using low-temperature high-resolution spectroscopy that red-shifted mutants of green fluorescent protein are photo-interconverted among three conformations and are, therefore, not...Full Text Available
2000-03-28
Non-contiguous regions of Z-DNA in a DNA dodecamer.
UK PubMed Central (United Kingdom)
The conformation of the self-complimentary DNA dodecamer d(br5CGbr5CGAATTbr5CGbr5CG) has been investigated in a variety of salt and solvent conditions by one and two-dimensional 1H NMR. In low salt...Full Text Available
1989-10-11
UK PubMed Central (United Kingdom)
The sequence-dependent structural variability and conformational dynamics of DNA play pivotal roles in many biological milieus, such as in the site-specific binding of transcription factors to target...Full Text Available
2008-09-01
Mitochondrial DNA Damage and Animal Longevity: Insights from Comparative Studies
UK PubMed Central (United Kingdom)
Chemical reactions in living cells are under strict enzyme control and conform to a tightly regulated metabolic program. However, uncontrolled and potentially deleterious endogenous reactions occur,...Full Text Available
Exchange algebra and the Drinfeld-Sokolov theorem
International Nuclear Information System (INIS)
We analyse the relation between the exchange algebra and the separation of the chiralities in classical Toda field theory. We show that there exists a conformally covariant Bloch wave basis such that the two chiralities commute. In terms of this basis we then reconstruct the periodic and local solution of Toda field theory. (orig.).
1991-01-01
Effects of PKA phosphorylation on the conformation of the Na,K-ATPase regulatory protein FXYD1
UK PubMed Central (United Kingdom)
FXYD1 (phospholemman) is a member of an evolutionarily conserved family of membrane proteins that regulate the function of the Na,K-ATPase enzyme complex in specific tissues and specific physiological...Full Text Available
2009-11-01
UK PubMed Central (United Kingdom)
In many radiotherapy clinics, geometric uncertainties in the delivery of 3D conformal radiation therapy and intensity modulated radiation therapy of the prostate are reduced by aligning the...Full Text Available
2007-07-01
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 ...
2006-09-01
Lung dose calculations at kilovoltage x-ray energies using a model-based treatment planning system
International Nuclear Information System (INIS)
The determination of the dose to organs from diagnostic x rays has become important because of reports of radiation injury to patients from fluoroscopically guided interventional procedures. We have modified a convolution/superposition-based treatment planning system to compute the dose distribution for kilovoltage beams. We computed lung doses using this system and compared them to those calculated using the CDI3 organ dose calculation program. We also computed average lung doses from a simulated radiofrequency ablation procedure and compared our results to published doses for a similar procedure. Doses calculated using this system were an average of 20% lower for AP beams and 7% higher for PA beams than those obtained using CDI3. The ratio of the average dose to the lungs to the skin dose from the simulated ablation procedure ranged from 25% higher to 15% lower than that determined by other authors. Our results show that ...
2001-02-01
Electromagnetic interactions in the {Delta}-resonance region
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 ...
1995-03-01
International Nuclear Information System (INIS)
Despite the widely recognized usefulness of the AAPM TG-43 brachytherapy dose calculation formalism, a straightforward application of this approach to describe the dose distribution about intravascular line sources as proposed by TG-60 may be difficult or even impossible, especially when these line sources emit low-energy photons or beta particles. The causes of these limitations are investigated and illustrated by means of some numerical examples. In order to solve the observed limitations an adapted formalism is proposed, intended specifically for the description of the dose rate distribution about line sources but conceptually similar to the TG-43/TG-60 formalism. Several examples are presented to illustrate the usefulness of the proposed line source dose calculation formalism.
2001-04-01
Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations
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.
2009-03-11
Modeling of snow melting and uniform wetting front migration in a layered subfreezing snowpack
Energy Technology Data Exchange (ETDEWEB)
A method of modeling freeze-thaw cycles of naturally deposited snowpacks is presented. The model involves the Stefan condition as an independent governing equation on the exterior moving boundary to calculate snowpack thinning, flow of water through a variably saturated layered porous medium as described by the Richards equation, and heat conduction with a phase change. The heat conduction problem was treated in two ways. Local heat conduction between a snow grain and its surrounding water film was treated by using a simple energy balance. Global heat conduction with a phase change (the Stefan problem) was introduced to calculate the space-time temperature distribution. In order to handle multiple interior moving boundaries, a specific form of the enthalpy formulation was used for heat conduction with a phase change. Changing material properties were considered according to the calculated meltwater ...
1994-08-01
International Nuclear Information System (INIS)
The electronic structures of the set of molecular clusters of dielectric oxide crystals AWO4 (A = Pb, Cd, Zn), the sizes of which increase sequentially are ab-initio calculated by the Restricted Hartree-Fock (RHF) method. The results of calculations of molecular orbitals and energy dependences of partial densities of electronic states of different clusters are compared each to other and to experimental data. It is found that calculated electronic structures of the tungstate groups and cations which are surrounded in cluster by certain number of the nearest neighbor atoms of the crystals quite well represent the experimentally obtained value of the forbidden gap of corresponding AWO4 crystal. (authors)
Designed defects in 2D antidot lattices for quantum information processing
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.
2008-01-01
Description of T/sub greater-than/ giant resonances in spherical nuclei
Energy Technology Data Exchange (ETDEWEB)
Formulas are obtained for calculation of the energies and B(Elambda) values of T/sub greater-than/ giant resonances in the quasiparticle-phonon model of the nucleus. Characteristics of giant dipole resonances are calculated in several spherical nuclei and the correct location is obtained for T/sub less-than/ and T/sub greater-than/ collective 1/sup -/ states. The calculated ratios sigma/sub -/1(T/sub greater-than/)/sigma/sub -/1(T/sub less-than/) agree with the experimental data for /sup 88/Sr, /sup 90/Zr, and /sup 92/Mo and are 3 times larger than the experimental values for /sup 116,120,124/Sn. The decrease of the cross sections sigma/sub -/1(T/sub greater-than/) in /sup 124/Sn in comparison with /sup 116/Sn is correctly reproduced.
1982-03-01
Constraining chameleon field theories using the GammeV afterglow experiments
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 ...
2009-11-01
Energy Technology Data Exchange (ETDEWEB)
The overall aim is to develope programme modules for a Danish integrated computer system for projecting buildings and to ensure that Danish programmes are compatible with international systems. The programmes to be integrated here were AutoCAD and SCRIBE-Models and the simulation programme tsbi3 for the calculation of indoor climate conditions, power demand and energy consumption in buildings. For the calculation of humidity and temperature conditions in constructions a certain amount of integration is carried out with the MATCH programme (Moisture And Temperature calculations for Constructions of Hygroscopic materials). The activities embodied in the pilot projects are described in this working report in addition to individual computer programmes and prototypes, and examples and diagrams are presented. The programmes described deal with handling design elements in relation to AutoCAD designs, and the ...
1993-03-01
Analysis of the omnium-g receiver
Energy Technology Data Exchange (ETDEWEB)
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.
1980-03-01
(#alpha#, t) reactions on "4"5Sc, "5"1V and "5"9Co nuclei at 27.2 MeV #alpha#-particle energy
International Nuclear Information System (INIS)
Differential cross sections of the (#alpha#, t) reactions on "4"5Sc, "5"1V, and "5"9Co nuclei are measured in the 10-71 deg, 10-155 deg, and 10-171 deg angular ranges, respectively, with 27.2 MeV alpha particles. The cross sections have also been calculated on the basis of the distorted wave theory. The possibility of an unambiguous choice of the optical potential for alpha particles is discussed. The angular distribution calculations using several combinations of the optical potentials in the inlet and outlet channels of the reactions show that consistence between the calculations and the measurements is achieved (especially in angular range, less than 90 deg, if one of the potentials is chosen to be a sufficiently deep one.
The lower continental slope of the northwestern Gulf of Mexico is characterized by a hummocky topography with shallow salt masses interspersed by numerous salt-withdrawal basins containing thick Plio-Pleistocene and older sediments. Analysis of over 7500 km of multichannel seismic reflection data from the Keathley Canyon Area and vicinity defined the Wisconsinan-Holocene sequence and its seismic facies. In interbasinal areas and in the southern part of the study area where salt is shallow, the Wisconsinan-Holocene sequence consists mainly of low-amplitude (LA) facies underlain by strong basal-reflection (SBR) facies. The LA facies occasionally show subtle onlaps against SBR facies and grade upward into a draping pattern. Onlapping LA facies are interpreted to be a lowstand systems tract deposited by widespread low-energy turbidity currents. Draping LA facies at the top may consist of hemipelagic or pelagic sediments. The SBR facies are interpreted to consist of ...
1991-03-01
Monte Carlo simulation of electron cones used in electron beam therapy
International Nuclear Information System (INIS)
A Siemens Mevatron KV2 accelerator installed at the Royal Adelaide Hospital employs cylindrical solid-walled electron cones for some electron collimation. The cones being used at present result in treatment fields that do not always conform with the International Electrotechnical Commission (IEC) Standards (particularly at high energies). The aim of this project was to simulate the existing cones using Monte Carlo methods in order to evaluate potential cone modifications required to overcome the field irregularities. Simulations were performed using the EGS4 (Electron Gamma Shower version 4, distribution II) Monte Carlo code installed on a DEC Alpha workstation at the University of South Australia. To rigorously simulate the existing electron cones it was necessary to also simulate various components within the treatment head of the linear accelerator. Results of simulations for existing cones were found to be consistent with experimental data. ...
1998-09-01
International Nuclear Information System (INIS)
Electronic circular dichroism (ECD) of the n-#pi# and #pi# -#pi# transitions of the amide groups in the ultraviolet has become an indispensable tool for qualitative characterization of proteins in solution. Since the existence of such a spectrum (that is, of natural optical activity) comes from the three dimensional interaction of the chromophores in the molecule, CD is exquisitely sensitive to molecular conformation. However, in proteins, the amide transitions available in the near UV are limited in number and are broads and overlapping. Interactions among them yield information about the polymeric backbone, but since such amide electronic excitation are relatively delocalized, the resulting
1996-11-01
Operator algebra from fusion rules. Pt. 2
International Nuclear Information System (INIS)
The classification of rational conformal field theories is essentially equivalent to the classification of all possible four-point functions for the primary fields of the theories. An interesting set of parameters appearing in the latter classification is given by the number and the positions of so-called apparent singularities of the differential equations which are obeyed by the four-point functions. The subject of this paper is a detailed analysis of the role played by these parameters. In particular the restrictions imposed on them by general principles of two-dimensional conformal field theory are worked out, and the implications on the classification programme are discussed. (orig.).
1992-11-01
Open descendants in conformal field theory
International Nuclear Information System (INIS)
Open descendants extend conformal field theory to unoriented surfaces with boundaries. The construction rests on two types of generalizations of the fusion algebra. The first is needed even in the relatively simple case of diagonal models. It leads to a new tensor that satisfies the fusion algebra, but whose entries are signed integers. The second is needed when dealing with non-diagonal models, where Cardy's ansatz does not apply. It leads to a new tensor with positive integer entries, that satisfies a set of polynomial equations and encodes the classification of the allowed boundary operators. (orig.).
1995-12-01
Locked nucleic acid (LNA): High affinity targeting of RNA for diagnostics and therapeutics
DEFF Research Database (Denmark)
Locked nucleic acid (LNA) is a nucleic acid analogue containing one or more LNA nucleotide monomers with a bicyclic furanose unit locked in an RNA mimicking sugar conformation. This conformational restriction results in unprecedented hybridization affinity towards complementary single stranded RNA and thus, makes LNA uniquely suited for mimicking RNA structures and sequence specific targeting of RNA in vitro or in vivo. The focus of this paper is on LNAantisense, LNA-modified siRNA (siLNA), and detection and analysis of microRNAs by LNA-modified oligonucleotide probes.
2005-01-01
Extended conformal algebras with N=1 supersymmetry
Energy Technology Data Exchange (ETDEWEB)
Extended conformal algebras with supersymmetry (super-W/sub n/ algebra) is constructed and the algebras are shown to exist for special values of the central charge c. The super-W/sub n/ algebra containing currents of spin (5/2, 3) has a unitary representation (c=10/7) and a non-unitary one (c=-5/2), and the super-W/sub n/ algebra containing currents of spins (2, 5/2) has a non-unitary representation (c=-6/5).
1988-12-29
Distribution amplitudes of {sigma} and {lambda} and their electromagnetic form factors
Energy Technology Data Exchange (ETDEWEB)
Based on QCD conformal partial wave expansion to leading order conformal spin accuracy, we present the light-cone distribution amplitudes (DAs) of {sigma} and {lambda} baryons up to twist 6. It is concluded that fourteen independent DAs are needed to describe the valence three-quark states of the baryons at small transverse separations. The nonperturbative parameters relevant to the DAs are determined within the framework of QCD sum rule method. With the obtained DAs, a simple investigation on the electromagnetic form factors of these baryons are given. The magnetic moments of the baryons are estimated by fitting the magnetic form factor with the dipole formula.
2009-04-15
Azidothymidine: crystal structure and possible functional role of the azido group
Energy Technology Data Exchange (ETDEWEB)
The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformation and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.
1987-12-01
np{yields}d{gamma} for big-bang nucleosynthesis
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.
1999-12-01
Vibrational Spectroscopic Study of 2 And 3-Methylpiperidine
International Nuclear Information System (INIS)
In this study, the experimental and theoretical study on the structures and vibrations of 2 and 3-methylpiperidine are presented. The FT-IR spectra of molecules have been recorded between 4000-400 cm-1 region. The molecular geometry and vibrational frequencies of 2 and 3-methylpiperidine in the ground state have been calculated by using Density Functional method (B3LYP) with cc-pVQZ, 6-311++G(d,p) and 6-311G(d,p) as basis sets. The total energy distributions TED among the symmetry coordinates of the normal modes have computed for the the low energy structure of the molecule. Complete vibrational assingments have provided on the basis of the calculated TED values.
2008-08-25
The distribution profile of the chemical structural changes in ion-irradiated polyolefins
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).
1996-11-01
Selection of IFE target materials from a safety and environmental perspective
International Nuclear Information System (INIS)
Target materials for inertial fusion energy (IFE) power plant designs might be selected for a wide variety of reasons including wall absorption of driver energy, material opacity, cost and ease of fabrication. While each of these issues are of great importance, target materials should also be selected based upon their safety and environmental (S and E) characteristics. The present work focuses on the recycling, waste management and accident dose characteristics of potential target materials. If target materials are recycled so that the quantity is small, isotopic separation may be economically viable. Therefore, calculations have been completed for all stable isotopes for all elements from lithium to polonium. The results of these calculations are used to identify specific isotopes and elements that are most likely to be offensive as well as those most likely to be acceptable in terms of their S and E ...
2001-05-21
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.
1993-07-01
International Nuclear Information System (INIS)
The MCNPE-BO and MCNP4 Monte Carlo electron-photon codes were used to calculate the dose equivalent per unit fluence at various depths in tissue-equivalent slab phantoms for broad parallel beams of monoenergetic electrons with energies from 50 keV to 10 MeV. The study was carried out in the framework of the activities of a ICRP/ICRU Joint Task Group with the support of EURADOS WG4 (Numerical Dosimetry). Some preliminary results and comparisons as well as a general discussion on the performances of the codes are presented, demonstrating quite a satisfactory agreement among the results obtained using the two codes and those of other authors. (author).
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.
2006-01-01
Metastable one- and two-electron donor states in GaAs and CdF{sub 2}
Energy Technology Data Exchange (ETDEWEB)
The strongly localized one-electron (D{sup 0}) and two-electron (D{sup -}) donor states are considered with the lattice deformation around the donor center taken into account. For GaAs, donor energy levels have been calculated as functions of the hydrostatic pressure. The calculated energy positions and pressure coefficients agree with the experimental data. It is shown that the interaction with phonons reduces the probability of radiative transitions between the states of different localization and leads to the metastability of shallow-level donor states with respect to the D{sup -} state in GaAs and both the states (D{sup 0} and D{sup -}) in CdF{sub 2}. (author) 7 refs, 1 fig
1996-12-31
Investigation by physical methods of the possible role of telomeres in DNA in aging process
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 ...
2003-01-01
International Nuclear Information System (INIS)
In the Introduction the history of the cascade probabilistic method development is described. The calculation model for different charged particles cascade probabilistic functions (CPF) was considered. A new analytical expressions for CPF for electrons, protons, alpha-particles and ions are obtained as well. A new results on mathematical analysis, algorithms, and calculation of CPF with taking into account charged particles energy losses on computer are cited. The peculiarities of these functions are analyzed. The detail analysis of these function behavior in relation from flying particles energy, target atomic number, generation and registration depth, and interactions number is carried out. The program packages in the Windows medium is developed on the visual programming languages: Visual Basic 6.0, Delphi 6.0, C++ Builder 6.0.
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.
Comparison of EH with SW-X/sub alpha/ calculations. Electronic structure of small niobium clusters
Energy Technology Data Exchange (ETDEWEB)
The electronic structure of small niobium clusters Nb/sub n/ (n = 2, 4, 6, 9) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-X/sub alpha/ method). It was found that both the methods led to the same results concerning equilibrium structures, energy level schemes, Fermi energies and band widths as well as the densities of states of the clusters. In solving solid state problems of transition metals with the aid of the cluster model a better adaptation of the EH method should be expected by adjusting the EH parameters to the SW-X/sub alpha/ results.
1982-01-01
Alpha-particle dose distribution effects at the cellular level
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.
1985-02-01
Alpha-induced reactions in iridium
Energy Technology Data Exchange (ETDEWEB)
The excitation function of ({alpha},{ital xn}) reactions on {sup 191}Ir (abundance 37.3%) and on {sup 193}Ir (abundance 62.7%) has been measured for the 17--55 MeV alpha-particle bombarding energy range. The stacked foil activation technique and {gamma}-ray spectroscopy were used to determine the cross sections. The experimental data were compared with calculated values obtained by means of a geometry-dependent hybrid model. The initial exciton number {ital n}{sub 0}=4 with {ital n}=2, {ital p}=2, and {ital h}=0 gives the best agreements with the presently measured results. To calculate the excitation function theoretically a computer code was used. This set of excitation functions provides a data basis for probing the validity of combined equilibrium and preequilibrium reaction models in a considerable energy range.
1992-05-01
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.
2008-08-25
Report of the IPSM working party on low- and medium-energy x-ray dosimetry
Energy Technology Data Exchange (ETDEWEB)
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).
1991-08-01
Report of the IPSM working party on low- and medium-energy x-ray dosimetry
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).
1991-01-01
Neutrino Oscillations: from Standard and Non-standard Viewpoints
In the standard model of neutrino oscillations, the neutrino flavor states are mixtures of mass-eigenstates, and the phenomena are well described by the neutrino mixing matrix, i.e., the PMNS matrix. I review the recent progress on parametrization of the neutrino mixing matrix. Besides that I also discuss on the possibility to describe the neutrino oscillations by a non-standard model in which the neutrino mixing is caused by the Lorentz violation (LV) contribution in the effective field theory for LV. We assume that neutrinos are massless and that neutrino flavor states are mixing states of energy eigenstates. In our calculation the neutrino mixing parts depend on LV parameters and neutrino energy. The oscillation amplitude varies with the neutrino energy, thus neutrino experiments with energy dependence may test and constrain the Lorentz violation scenario for neutrino ...
2011-01-01
Lattice chiral effective field theory with three-body interactions at next-to-next-to-leading order
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.)
2009-07-15
Energy from waste: current progress in Sweden
Energy Technology Data Exchange (ETDEWEB)
Considerable effort worldwide has been put into trying to find the best way to utilise the large amount of energy that we put into our dustbins every day. One of the problems encountered is that the waste collection systems tend to gather together in one place between 400 and 1000 t of the stuff everyday and since it is possible to extract rather more than 2 MW from each tonne, that is a lot of energy for which to find a market. In continental European cities, especially Germany, and Sweden with most of the population living in apartment blocks, and with colder winters than the UK, district heating provides a suitable market. With its milder winters, more diverse housing and cheap gas the UK is not such a fertile ground for district heating. But since the passing of the Energy Act in 1984, there is a steady market in electricity generation with the advantage that the purchase tariffs are published so that income can be ...
1988-11-01
Embodied energy and emergy evaluation of a typical biodiesel production chain in China
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...
2011-01-01
Direct solar thermal-to-electric energy conversion using thermophotovoltaics
Energy Technology Data Exchange (ETDEWEB)
Thermophotovoltaic energy conversion achieves direct conversion of thermal energy to electricity without the need for complex dynamic machinery operating in one of several possible thermodynamic cycles. This paper presents an analysis of a hybrid solar thermophotovoltaic (STPV) energy conversion system in which a receiver/photovoltaic (PV) array subsystem is powered by either a solar concentrator or a fossil fuel combustion source. The overall TPV system efficiency is calculated using an appropriate selective emitter and a spectrally tuned solar cell designed to achieve maximum conversion efficiency in the narrow band emitted by the selective emitter. Two limiting cases are examined to place upper and lower bounds on system performance. The estimates of system performance are based on actual experimental data from PV cells and selective emitters.
1995-10-01
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.
2011-01-01
Current drive and heating systems based on high-energy (1- to 3-MeV) negative ion beams
Energy Technology Data Exchange (ETDEWEB)
This paper describes a concept for a current drive system based on negative ions with beam energy > 1 MeV. Preliminary physics calculations show that the core current necessary for stability enhancement can best be achieved by beams with energy ranging from 1 to 4 MeV. Further study and experiments will better define the optimum energy. Work under way at Oak Ridge National Laboratory (ORNL) and at collaborating institutes in Canada and the Federal Republic of Germany is defining a system, its elements, a configuration and operational scenarios deemed appropriate for such devices as ITER and other future steady-state tokamaks, and the requisite research and development to provide such a system. 7 refs., 2 figs.
1988-01-01
Measurement of electron energy fluence spectra from electron beam therapy machines
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 ...
1984-01-01
K"#pi#=8"- isomers and K"#pi#=2"- octupole vibrations in N=150 shell-stabilized isotones
International Nuclear Information System (INIS)
Isomers have been populated in "2"4"6Cm and "2"5"2No with quantum numbers K"#pi#=8"-, which decay through K"#pi#=2"- rotational bands built on octupole vibrational states. For N=150 isotones with (even) atomic number Z=94-102, the K"#pi#=8"- and 2"- states have remarkably stable energies, indicating neutron excitations. An exception is a singular minimum in the 2"- energy at Z=98, due to the additional role of proton configurations. The nearly constant energies, in isotones spanning an 18% increase in Coulomb energy near the Coulomb limit, provide a test for theory. The two-quasiparticle K"#pi#=8"- energies are described with single-particle energies given by the Woods-Saxon potential and the K"#pi#=2"- vibrational energies by quasiparticle random-phase approximation calculations. Ramifications for self-consistent ...
2008-09-01
Energy engineering and management: Continuing education in Australia
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 ...
1995-12-31
Low energy, low emissions: SO_2, NO_x and CO_2 in Western Europe. Working paper
International Nuclear Information System (INIS)
A link is made in this paper between proposed low energy scenarios for different Western European countries and the amount of pollutants that may result from these scenarios. Air pollutant emissions are calculated for the ten countries for which low energy scenarios are available. These scenarios emphasize stringent energy efficiency, maximizing the use of renewable (other than nuclear) energy, and minimizing the use of fossil fuels. Under these low energy scenarios, the average per capita energy use (year 2030) in the ten countries is estimated as 97 GJ/person, which is a decrease of 38% relative to 1980. Using the energy consumption figures from the low energy scenarios, together with sector- and fuel-specific emission factors from Europe, the resulting emissions of SO_2 , NO_x , and CO_2 were ...
The cluster structure of the inner crust of neutron stars in the Hartree-Fock-Bogoliubov approach
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 ...
2011-01-01
Parity-projected shell model Monte Carlo level densities for fp-shell nuclei
International Nuclear Information System (INIS)
We calculate parity-dependent level densities for the even-even isotopes "5"8","6"2","6"6Fe and "5"8Ni and the odd-A nuclei "5"9Ni and "6"5Fe using the shell model Monte Carlo method. We perform these calculations in the complete fp-gds shell-model space using a pairing+quadrupole residual interaction. We find that, due to pairing of identical nucleons, the low-energy spectrum is dominated by positive parity states. Although these pairs break at around the same excitation energy in all nuclei, the energy dependence of the ratio of negative-to-positive parity level densities depends strongly on the particular nucleus of interest. We find equilibration of both parities at noticeably lower excitation energies for the odd-A nuclei "5"9Ni and "6"5Fe than for the neighboring even-even nuclei "5"8Ni and "6"6Fe.
2007-06-01
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 ...
1984-01-01
Mott-Schwinger Scattering of Polarized Low Energy Neutrons up to Thermal Energies
Energy Technology Data Exchange (ETDEWEB)
The availability of new, high-intensity, cold and thermal neutron sources has opened the possibility of performing high-precision fundamental neutron physics experiments, including measurements that study the hadronic weak interaction and standard model test measurements, using neutron decay. The observables in these experiments are usually correlated with the direction of neutron polarization and are often very small (10 8 10 6). Mott-Schwinger scattering of polarized neutrons can produce spin-dependent shifts in beam centroids, which has the potential to produce significant systematic effects for these types of experiments. An accurate calculation of this process for neutral atoms and basic molecules has not been carried out for low neutron energies. In this work, we derive a general expression for the electromagnetic (Mott-Schwinger) contributions to the analyzing power for low-energy neutron scattering. We obtain ...
2008-10-01
Linearized augmented-plane-wave calculation of the electronic structure and total energy of tungsten
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)
The inelastic energy losses for single collisions of Xe"+ ions with Xe targets have been measured for incident ion energies from 0.3 to 1.2 MeV and for scattering angles from 3"0 to 20"0. The energy losses were found to range from 1 to 11 keV with distinct steps at distances of closest approach of 0.22 and 0.12 A. By comparing these data with earlier ionization data by the same authors these steps are shown to be caused by M-shell excitation. Other excitations observed in the ionization data may be attributed to N-shell excitation. The distances of closest approach at which these excitations occur agree well with calculations by Eichler and Wille and co-workers, giving further evidence of the usefulness of Fano and Lichten's one-electron molecular model and these calculations.
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.
Electronic structure and proton spin-lattice relaxation in PdH
International Nuclear Information System (INIS)
We report a detailed augmented-plane-wave energy-band study and wave-function analysis of stoichiometric PdH which shows that, even though the Fermi surface of PdH is qualitatively similar to that of silver, the simple ''proton model'' is not valid. Instead, the screening of the proton in PdH is found to be larger than in an isolated H atom due, in part, to the formation of a H-Pd bonding band below the bottom of the d-band complex. This result, which is in qualitative agreement with Switendick's earlier calculation, is confirmed by ultraviolet photoemission experiments. A partial density-of-states (DOS) analysis in the energy range spanned by the six valence and conduction bands reveals the quantitative details of the bonding mechanism between the Pd and H constituents. At the Fermi energy, the high Pd d to H s DOS ratio approx. 10.3 is found to be far higher than expected in silver, despite the fact ...
Theoretical magnon dispersion curves for Gd
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.
The identification of the 1/2"+[660] proton orbitals at high spins in rare-earth nuclei
International Nuclear Information System (INIS)
Decay sequences based on the 1/2"+[660] proton orbital have been identified in "1"7"1Ta and "1"7"7Re based on spin, parity, and large alignment. This decay sequence is observed higher in energy than predicted in cranking calculations based on modified oscillator potentials. Similarly known 1/2"-[541] decay sequences in these and other neighbouring isotopes are observed lower in energy than predicted. A reduction in the strength of the spin-orbit potential for protons is suggested as a solution to these problem. (orig.).
Practical antireflection coatings for metal-semiconductor solar cells
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)
1976-09-01
Neutron Resonance Parameters and Covariance Matrix of 239Pu
Energy Technology Data Exchange (ETDEWEB)
In order to obtain the resonance parameters in a single energy range and the corresponding covariance matrix, a reevaluation of 239Pu was performed with the code SAMMY. The most recent experimental data were analyzed or reanalyzed in the energy range thermal to 2.5 keV. The normalization of the fission cross section data was reconsidered by taking into account the most recent measurements of Weston et al. and Wagemans et al. A full resonance parameter covariance matrix was generated. The method used to obtain realistic uncertainties on the average cross section calculated by SAMMY or other processing codes was examined.
2008-08-01
Measurement of low-energy antiproton detection efficiency in BESS below 1 GeV
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.
2002-08-21
Mass of the nucleon in a chiral quark-diquark model
International Nuclear Information System (INIS)
The mass of the nucleon is studied in a chiral quark-diquark model. Both scalar and axial-vector diquarks are taken into account for the construction of the nucleon state. After the hadronization procedure is used to obtain an effective meson-baryon Lagrangian, the quark-diquark self-energy is calculated to generate the baryon kinetic term as well as determine the mass of the nucleon. It turns out that both the scalar and axial-vector parts of the self-energy are attractive for the mass of the nucleon. We investigate the range of parameters that can reproduce the mass of the nucleon.
2005-09-01
Instanton contributions to the $\\tau$ decay widths
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.
1993-01-01
Identification of the 1/2/sup +/(660) proton orbitals at high spins in rare-earth nuclei
Energy Technology Data Exchange (ETDEWEB)
Decay sequences based on the 1/2/sup +/(660) proton orbital have been identified in /sup 171/Ta and /sup 177/Re based on spin, parity, and large alignment. This decay sequence is observed higher in energy than predicted in cranking calculations based on modified oscillator potentials. Similarly known 1/2/sup -/(541) decay sequences in these and other neighbouring isotopes are observed lower in energy than predicted. A reduction in the strength of the spin-orbit potential for protons is suggested as a solution to these problem.
1983-12-08
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
2011-08-16
Fluorescence resonance energy transfer using lanthanide-ion doped oxide nanoparticles as donors
We have demonstrated fluorescence resonance energy transfer (FRET) between lanthanide-ion doped oxide nanoparticles acting as donors and organic acceptor molecules (Cy5). Due to the long nanoparticle lifetime and the large Stokes shift between nanoparticle absorption and emission, unambiguous and precise FRET measurements can be performed despite the presence of large free acceptor oncentrations. We determined FRET efficiencies as a function of Cy5 concentration which are in very good agreement with a multiple acceptor-multiple donor calculation.
2006-03-01
Depolarization in the SLC collider arcs
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%.
1994-06-27
Collectivity at N=40 in neutron-rich "6"4Cr
International Nuclear Information System (INIS)
"9Be-induced inelastic scattering of "6"2","6"4","6"6Fe and "6"0","6"2","6"4Cr was performed at intermediate beam energies. Excited states in "6"4Cr were measured for the first time. Energies and population patterns of excited states in these neutron-rich Fe and Cr nuclei are compared and interpreted in the framework of large-scale shell-model calculations in different model spaces. Evidence for increased collectivity and for distinct structural changes between the neighboring Fe and Cr isotopic chains near N=40 is presented.
2010-05-01
A new empirical potential function and its application to hydrogen bonding
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).
1981-01-01
3. Physical foundations and methodology of radionuclide X-ray fluorescence analysis
International Nuclear Information System (INIS)
The physical foundations are described of radionuclide X-ray fluorescence analysis (RXFA) and the table shows the values of K- and L-absorption thresholds and the K- and L-line energies of elements. The calculation of the intensity of characteristic radiation during RXFA proceeds from relations derived for conventional X-ray fluorescence analysis. The choice of the radionuclide source is ruled by the nature of the analysed substance and the used detection technique. The diagram shows the areas of radionuclide sources and the energy of the fluorescence radiation of elements. The table shows the spectra of radionuclide sources suitable for the purposes of RXFA measured by semiconductor Si(Li) and Ge(Li) detectors. (ES).
1983-12-01
TASK 2.5.4 DEVELOPMENT OF AN ENERGY SAVINGS CALCULATOR
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 ...
2010-03-01
Relativistic corrections to the spectra and radiative transitions in quarkonia
International Nuclear Information System (INIS)
The author calculated the wavefunctions and the energy-spectra of c bar c and b bar b bound systems using the Hamiltonian proposed by Gupta, Radford and Repko (GRR). He writes the GRR Hamiltonian as H = H_o + H', where H_o includes the kinetic energy terms and the most dominant terms in the Hamiltonian. H' includes among other things the spin-spin, spin-orbit and the tensor terms in the Hamiltonian. The eigenvalue problem of H_o is solved by the variational method which makes use of a trial wave-function with eleven parameters. H' is then treated in the first order perturbation theory. The energy-spectra agree very well with experimental data. He also calculated the E1 and the M1 decay rates of these quarkonia. With relativistic corrections, the E1 transitions agree better with experiment. The dominant relativistic correction comes from the relativistic modification of the ...
Energy Technology Data Exchange (ETDEWEB)
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 ...
2009-11-15
Energy Technology Data Exchange (ETDEWEB)
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 ...
2002-07-01
Analysis of coupled neutron-gamma radiations, applied to shieldings in multigroup albedo method
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 ...
2002-01-01
Direct aperture optimization of breast IMRT and the dosimetric impact of respiration motion
International Nuclear Information System (INIS)
We have studied the application of direct aperture optimization (DAO) as an inverse planning tool for breast IMRT. Additionally, we have analysed the impact of respiratory motion on the quality of the delivered dose distribution. From this analysis, we have developed guidelines for balancing the desire for a high-quality optimized plan with the need to create a plan that will not degrade significantly in the presence of respiratory motion. For a DAO optimized breast IMRT plan, the tangential fields incorporate a flash field to cover the range of respiratory motion. The inverse planning algorithm then optimizes the shapes and weights of additional segments that are delivered in combination with the open fields. IMRT plans were generated using DAO with the relative weights of the open segments varied from 0% to 95%. To assess the impact of breathing motion, the dose distribution for the optimized IMRT plan was recalculated with the isocentre sampled from a predefined distribution in a ...
2006-10-21
Nuclear structure of light Ca and heavy Cr isotopes
Energy Technology Data Exchange (ETDEWEB)
In the present thesis, the shell structure in exotic nuclei has been investigated. The focus of the work was on finding new experimental data in neutron-rich Cr and proton-rich Ca isotopes. The investigation of light Ca isotopes concentrated on the nucleus {sup 36}Ca which was produced in a knockout reaction from a radioactive {sup 37}Ca beam. For {sup 36}Ca, the excitation energy of the first 2{sup +} state has been measured for the first time. Furthermore, momentum distributions were analyzed using a Monte-Carlo simulation of the knockout reaction. This analysis yielded the contributions of neutrons from individual orbitals to the total knockout cross section. In principle, these may be used to calculate spectroscopic factors, but such a calculation is hampered by difficulties of present knockout-reaction models in predicting precise single-particle cross sections. The measured branching ratio to the ground and excited ...
2007-07-01
Preliminary safety evaluation of a commercial-scale krypton-85 encapsulation facility
International Nuclear Information System (INIS)
This paper demonstrates that a commercial-scale facility for encapsulating krypton-85 in zeolite-5A or glass at a 2000 MTHM per year nuclear fuel reprocessing plant can be designed to contain fragments and the 340 to 850 kCi krypton-85 inventory from an assumed catastrophic failure of the high pressure vessel. The vessel failure was assumed as a worst case and was not based on a detailed design evaluation or operating experience. The process design is based on existing commercial hot isostatic pressing technology operated at up to 40 times the scale required for krypton encapsulation. From the calculated process gas inventory in the pressure vessel and vessel design, the maximum explosive energy of 8.4 kg TNT and resulting vessel plug and fragment velocities were calculated. The facility Containment Cell housing the high pressure vessel was designed to contain the gases, fragments, and the shock wave ...
1984-08-13
Evaluation of heterogeneity effects for Am reaction rates of the moderated subassemblies
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 ...
1998-10-01
Vacuum energy of eleven-dimensional supergravity
Energy Technology Data Exchange (ETDEWEB)
The authors calculate the effective potential for the bosonic sector of eleven-dimensional supergravity on the background (Minkowski) x (sphere). No tachyons are found, and it is shown that the antisymmetric tensor field does not threaten graviton dominance when the Freund-Rubin parameter (m) vanishes. The general case (m not = O) seems untractable in the present formalism.
1987-11-01
UAl/sub 2/: Fine structure of the f bands
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.
1985-08-15
Turbo expanders for separation of gas mixtures by partial condensation
International Nuclear Information System (INIS)
Thermodynamic consideration and process calculations at equilibrium conditions showed that processes for separating gas mixtures by partial condensation at low temperatures using turboexpanders have got less energy losses than processes with quasi isobar partial condensation. Compared to the low-pressure parts of condensing steam turbines in turboexpanders less erosion problems are to expected for such separating processes. Separation of liquid in the machine, however, is more difficult withouf additional measures. (orig.).
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.
1990-09-01
The form factors of the nucleon at small momentum transfer
Energy Technology Data Exchange (ETDEWEB)
We study the low energy expansion of the nucleon`s electroweak form factors in the framework of an effective chiral Lagrangian including pions, nucleons and the {Delta}(1232). We work to third order in the so-called small scale expansion and compare the results with the ones previously obtained in the chiral expansion. In addition, these calculations serve as a first exploratory study of renormalization and decoupling within the small scale expansion. (orig.) 35 refs.
1998-05-25
The electron-phonon coupling constant in vanadium
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.
The Percus-Yevick theory is alive and well
The pressure of a 6:12 fluid is obtained from the Percus-Yevick theory at the temperature kT/? = 1.35. The energy equation results are in excellent agreement with machine calculation results in contrast to the pressure and compressibility equation results. Present address: Diffusion Research Unit, The Australian National University, Canberra, ACT, Australia.
1970-01-01
The (2+1) Dirac Equations with $\\delta$ Potential
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.
2001-01-01
Supersymmetric para boson-fermion oscillator systems and their spectra
Energy Technology Data Exchange (ETDEWEB)
In this paper para boson-fermion supersymmetry is exemplified in simple oscillator systems. The parasupercharge satisfies the ordinary supersymmetry algebra. The parabosonic and parafermionic oscillators do not commute and the energy spectra are non-trivial for even the one level system. The authors calculate the partition functions and compare with those for the non-supersymmetric systems.
1991-07-20
Sum rules for the inclusive. mu. -e conversion exotic reaction
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.
1989-01-19
Studying the triple-Higgs vertex in the process. gamma. gamma. yields HH at TeV energies
Energy Technology Data Exchange (ETDEWEB)
In the framework of the equivalence theorem the one-loop helicity amplitudes and cross section for the double Higgs production process {gamma}{gamma}{yields}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.).
1992-06-04
Studying the triple-Higgs vertex in the process #gamma##gamma##->#HH at TeV energies
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.).
Energy Technology Data Exchange (ETDEWEB)
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/sub 4/xNQD 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.
1981-11-01
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.
Single-crystalline cadmium telluride anodic oxidation kinetics
The authors have determined quantitative characteristics for oxide films forming on (111) surfaces of cadmium telluride single crystals on anodic oxidation in 0.1 M KOH: the constants in the Guenterschulze-Betz equation and the film growth constant, which is 2.4 nm/V, from which the activation energy for cadmium telluride electrooxidation has been calculated.
1988-10-10
Silicon L/sub 2/ /sub 3/VV Auger Lineshape and oxygen chemisorption study of Pd/sub 4/Si
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.
1981-01-01
Shell-model calculations for the energy levels of the N=50 isotones with A=80--87
International Nuclear Information System (INIS)
The detailed features of the calculated energy-level schemes and of the single-particle, orbit-occupancy properties of the low-lying levels of the N=50 isotones "8"0Zn, "8"1Ga, "8"2Ge, "8"3As, "8"4Se, "8"5Br, "8"6Kr, and "8"7Rb are presented and discussed. These results are obtained with a new effective Hamiltonian operator obtained empirically from an iterative fit to experimental energies taken from all experimentally studied (A=82--96) N=50 nuclei. The model space for the calculations consists of active 0f/sub 5/2/, 1p/sub 3/2/, 1p/sub 1/2/, and 0g/sub 9/2/ proton orbits relative to a nominal "7"8Ni core. This space is truncated internally by restricting the number of particles excited from the negative-parity orbits into the g/sub 9/2/ orbit to be no greater than four. The typical structures predicted for these lighter N=50 isotones are found to be dominated by well-mixed combinations of fp-orbit ...
9110-01-01
Quasiparticle band structure of thirteen semiconductors and insulators
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 ...
1991-06-15
Quasiparticle band structure of thirteen semiconductors and insulators
International Nuclear Information System (INIS)
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_0_._5Ga_0_._5As and In_0_._5_3Ga_0_._4_7As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, E(#GAMMA#_1_c) of AlP, E(L_1_c) of AlAs, and E(L_1_c) of AlSb are discussed and attributed to various experimental uncertainties. Several other quasiparticle-excitation-related properties are also examined ...
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.
2002-09-30
Energy Technology Data Exchange (ETDEWEB)
An optimization criterion accounting for the energy and material consumption is defined. The allowed limits of the variations in the technological factors are discussed and the optimization criterion values within these limits are calculated. The analysis presented, demonstrating the significance of the chosen factors for the production cost-price, is of great practical importance. (orig.).
1991-08-15
Muon induced fission in high threshold nuclei
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.).
Energy Technology Data Exchange (ETDEWEB)
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)
1999-05-01
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)
Loss of light charged particles by nuclear interactions in BaF[sub 2] crystals
Energy Technology Data Exchange (ETDEWEB)
The nuclear interaction probability of light charged particles in BaF[sub 2] crystals has been studied as a function of the incident particle energy. Light charged particles were identified in charge and mass by measuring their magnetic rigidity and their time-of-flight. The percentage of particles undergoing nuclear interactions has been measured for particles of charge from Z=1 to Z=6 and the experimental data are compared with the results of a model calculation. (orig.)
1993-07-15
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.
1987-07-01
Energy Technology Data Exchange (ETDEWEB)
Energy spectra of the Bragg reflection of the Moessbauer ..gamma..-radiation from the /sup 57/Fe/sub 3/BO/sub 6/ weakly ferromagnetic monocrystal are studied. A strong effect of the interference transitions in iron nuclei, being in non-equivalent positions, on the spectra form is revealed. The measurement results are compared with theoretical calculations.
1984-05-25
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.
1982-06-01
Electronic structure of the Ru(0001) surface
Energy Technology Data Exchange (ETDEWEB)
This paper deals with the electronic structure of ruthenium. Synchrotron radiation in the range from 15 to 45 eV and angle-resolved ultraviolet photoemission are used to map the energies of the electronic states. The Fermi surface of Ru is determined using angle-resolved ultraviolet photoemission spectroscopy. The experimental results are compared with calculated photoemission spectra obtained within the framework of the one-step model of photoemission. (author)
2000-03-13
Defect influence on the T/sub c/ of A-15 compounds
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.
1979-10-01
Defect influence on the T/sub c/ of A-15 compounds
International Nuclear Information System (INIS)
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.
Cooperative spontaneous emission from two different atoms
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).
1986-01-01
Contribution of pulsars to the cosmic rays in the Galaxy
Energy Technology Data Exchange (ETDEWEB)
The contribution of pulsar accelerated nuclei to the cosmic rays inside the Galaxy is calculated assuming that a significant part of the pulsar rotational energy is lost on acceleration of iron nuclei extracted from the surface of the neutron star. Different models of the galactic pulsar population are discussed. It is shown that the best description of the observed cosmic ray spectrum and the mass composition between a few 10{sup 15} eV and a few 10{sup 18} eV is obtained for the model B of Lorimer et al. (1993)
2004-11-15
Energy Technology Data Exchange (ETDEWEB)
A comment on the letter by T. Kajino and A. Arima Phys. Rev. Lett. 52, 739 (1984).
1984-07-23
Atmospheric correction factor for cosmic-ray antiproton measurements
Energy Technology Data Exchange (ETDEWEB)
The atmospheric correction factor for cosmic-ray antiproton measurements has been re-calculated using an approximation of the slab model. It is found that the effect of the antiproton non-annihilation inelastic interaction is quite significant. Neglecting this effect has led to an overestimation of the expected antiproton flux at low energies at the atmosphere.
1983-03-01
Analysis of TL glow curves in differently doped LiF:Mg,Ti
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).
Prompt fission neutron energy spectra induced by fast neutrons
International Nuclear Information System (INIS)
Prompt fission neutron energy spectra for "2"3"5U and "2"3"9Pu have been measured for fission neutron energies greater than the energy of the incident neutrons inducing fission. The measurements were undertaken to investigate the shape dependence of the fission neutron spectra upon both the incident neutron energy and the mass of the nucleus undergoing fission. Measurements were made for both nuclides at incident neutron energies of 0.50, 1.50, 2.50 and 3.50 MeV. The data are presented either as relative yields or as ratios of measured spectra to that of "2"3"5U at 0.50 MeV. Incident neutrons were produced by the "7Li(p,n)"7Be reaction using a pulsed, bunched proton beam from the 5.5 MV Van de Graaff accelerator at the University of Massachusetts Lowell Radiation Laboratory. Fission neutrons were detected by a thin liquid scintillator with good time resolution capabilities. Neutron ...
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 ...
1996-03-01
Outlook for using wind energy for electrification of agriculture in Estonian SSR
Energy Technology Data Exchange (ETDEWEB)
The developed electrical networks in the agricultural regions of the Estonian SSR make it possible to construct relatively powerful wind power plants at the sites of the most favorable wind conditions with small outlays for the power transmission lines. The wind power plant electricity can be used to electrify the production processes in agriculture, while the surplus can be supplied to the energy system. The inclusion of the wind power plants in the energy system makes it possible to improve the total generation of energy or reduce the consumption of fuel. With the efficient arrangement of the wind power plants, one can also reduce the energy losses during its transfer. Calculations indicated that in the coastal zones of the Estonian SSR, one can obtain specific power of 420-480 kW/km/sup 2/. For comparison it is indicated that the Estonian SSR in the agricultural regions now uses ...
1982-01-01
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 ...
1983-10-01
Alternative methods to determine headwater benefits
Energy Technology Data Exchange (ETDEWEB)
In 1992, the Federal Energy Regulatory Commission (FERC) began using a Flow Duration Analysis (FDA) methodology to assess headwater benefits in river basins where use of the Headwater Benefits Energy Gains (HWBEG) model may not result in significant improvements in modeling accuracy. The purpose of this study is to validate the accuracy and appropriateness of the FDA method for determining energy gains in less complex basins. This report presents the results of Oak Ridge National Laboratory`s (ORNL`s) validation of the FDA method. The validation is based on a comparison of energy gains using the FDA method with energy gains calculated using the MWBEG model. Comparisons of energy gains are made on a daily and monthly basis for a complex river basin (the Alabama River Basin) and a basin that is considered relatively simple hydrologically (the ...
1997-11-10
User's manual of SECOM2: a computer code for seismic system reliability analysis
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 ...
Some numerical problems in atomic physics
International Nuclear Information System (INIS)
The numerical calculation of oscillatory wavefunctions occurring in the theory of electron scattering from positive ions is considered, the aim being to develop methods for evaluating the oscillatory solutions using a logarithmic grid. Thus, the permitted step-size for the solution depends only upon the potential, enabling calculations at different energies to be performed using the same discretisation. Two similar generalisations of the W.K.B. transformation for second order ordinary differential equations are made and applied to the radial Dirac equations. Iterative schemes for the solution of the resulting non-linear amplitude equations are discussed, one for use in the asymptotic region and the other a Newton scheme for continuing the solution closer to the origin. Using these techniques a reliable and efficient program for calculating relativistic scattering phase shifts from ionic potentials has ...
1981-01-01
Positron annihilation in high-T/sub c/ superconductors
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.
High-spin structure of odd $^{71-81}$Ga isotopes with shell model
The recently measured experimental data of Argonne National Laboratory for high-spin states in neutron-rich $^{71,73,75,77}$Ga isotopes have been interpreted in the framework of large-scale shell model. Calculations have been performed in $f_{5/2}pg_{9/2}$ model space with two recent effective shell model interactions, JUN45 and jj44b. We also predict high-spin states for $^{79,81}$Ga, where very little is known experimentally. The calculated results show that existence of band structure built on top of the 3/2$^-$, 5/2$^-$ and 9/2$^+$ levels in $^{71-77}$Ga. The collective structure reflected in experimental data is not well reproduced in calculated values. The calculated positive parity states in $^{71,73,75}$Ga are higher in energy in comparison to experimental finding, while for $^{77,79}$Ga, the positive parity states are in better agreement. Both the interactions predict, ...
2011-01-01
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 ...
2007-01-01
FT-IR spectroscopic studies of polycyclic aromatic hydrocarbons
International Nuclear Information System (INIS)
Proper assessment of the hypothesis which correlates polycyclic aromatic hydrocarbons (PAHs) with the unidentified infrared emission bands requires additional experimental laboratory data. In order to address this need, thermal infrared emission studies were performed on a subset of PAHs suggested to be of astrophysical importance. It was proposed that infrared emission from interstellar PAHs occurs following absorption of an ultraviolet photon. Since energy transfer to the ground electronic state can be rapid for a species in which intersystem crossing is negligible, the emission spectrum may be viewed as resulting from an equilibrium vibrational temperature (Leger and d'Hendecourt, 1987). This has been the basis for using infrared absorption spectra to calculate the corresponding emission spectra at various temperatures. These calculations were made using room temperature infrared absorption coefficients instead of those ...
1990-04-01
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 ...
1996-12-31
The energy dependence of L_#alpha#/L_l X-ray intensity ratio produced by heavy-ion bombardment
International Nuclear Information System (INIS)
The energy dependence of the Yb and Au L_#alpha#/L_l X-ray intensity ratio, produced by 0.5 - 3.0 MeV/u Li, Be, C, N, F, and Si ion bombardment (Malhi and Gray, Phys. Rev. A 44, 7199, (1991)), measured at 90"0 relative to the beam axis, has been explained. While for light ion impact the behaviour of the alignment parameter as a function of impact velocity is dominant, for the impact of heavier ions the multiple ionization effects become important. Using Larkins' prescription in the last case, calculations have been performed, which agree well with the data over the whole energy range investigated. (Author).
1993-01-01
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).
Surface energy of semiconductors covered with thin layers of various materials
International Nuclear Information System (INIS)
Surface energy of III-V semiconductors ended by (110) clean surface and surface covered by atomic monolayer of aluminium, copper and sulfur has been calculated. We have used the Greens-function technique based on the scheme of linear muffin-tin orbitals in the atomic sphere approximation (LMTO-ASA) for the crystal potential and width the local density approximation (LDA) for electrons. Two types of coverage are considered: full monolayer with two additional atoms per two-dimensional unit cell and half monolayer with one additional atom per unit cell. Full monolayer of metallic atoms increases the surface energy. Cu atoms lead to greater destabilization than Al atoms. Sulfur atoms stabilize (110) surface for all considered compounds. (author)
1997-09-23
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
2002-02-01
Energy Technology Data Exchange (ETDEWEB)
In the frame of the comprehensive assessment of Swiss energy systems, air quality simulations were performed by using a 3-dimensional photo-chemical dispersion model. The objective is to investigate the impacts of pollutants in Switzerland for future options of Swiss energy systems. Four scenarios were investigated: Base Case: simulations with the projected emissions for the year 2030, Scenario 1) all nuclear power plants were replaced by oil-driven combined cycle plants (CCP), Scenarios 2 to 4) traffic emissions were reduced in whole Switzerland as well as in the cities and on the highways separately. Changes in the pollutant concentrations and depositions, and the possible short-term impacts are discussed on the basis of exceedences of critical levels for plants and limits given to protect the public health. (author) 2 figs., 7 refs.
1999-08-01
Quantitative measurement of elements in a composite, using multienergy gamma-rays
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. ...
Proton emission in reaction of 14.6 MeV neutrons with natural iron
Energy Technology Data Exchange (ETDEWEB)
The energy spectra and angular distributions of proton emission in a reaction of {sup nat}Fe(n,xp) at a neutron energy of 14.6 MeV are measured by the University of Science and Technology of China multitelescope system. The double-differential cross sections of 16 reaction angles from 25 to 164.5 deg are obtained in this measurement. The statistical errors are reduced largely because of the thick target used. The angular distributions show a slightly energy-dependent forward-backward asymmetry. The angle-integrated proton spectrum is compared with theoretical calculations and other results. The total proton-emission cross section is in fair agreement with the prediction and evaluation.
1996-01-01
Partial wave expansion of ion-atom elastic scattering in solids
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)
The purpose of this research was to develop a methodology for sizing integrated renewable energy systems, useful for rural areas, using simulation and optimization tools developed in MATLAB 6.0. The sizing model produces a system with minimum cost and high reliability level, based on the concept of loss of power supply probability (LPSP) for consecutive hours. An optimization model is presented and three different sizing scenarios are calculated and compared, showing flexibility in the elaboration of different project conceptions. The obtained results show a complete sizing of the energy conversion devices and a long-term cost evaluation. (author)
2005-05-15
Nuclear structure studies via neutron interactions
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.
1991-03-01
International Nuclear Information System (INIS)
The highest equilibrium free-carrier doping concentration possible in a given material is limited by the ''pinning energy'' which shows a remarkable universal alignment in each class of semiconductors. Our first-principles total energy calculations reveal that equilibrium n -type doping is ultimately limited by the spontaneous formation of close-shell acceptor defects: the 3- -charged cation vacancy in AlN, GaN, InP, and GaAs and the 1- -charged DX center in AlAs, AlP, and GaP. This explains the alignment of the pinning energies and predicts the maximum equilibrium doping levels in different materials. (c) 2000 The American Physical Society
2000-02-07
Indoor climate seminar; Sisaeilmastoseminaari
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.
1989-12-31
Greenhouse gas emission inventory based on full energy chain analysis
International Nuclear Information System (INIS)
Methodology, characteristics, features and results obtained for greenhouse gases within the recent Swiss LCA study 'Environmental Life-Cycle Inventories of Energy Systems' are presented. The focus of the study is on existing average Full Energy Chains (FENCHs) in the electricity generation mixes in Europe and in Switzerland. The systems, including coal (hard coal and lignite), oil, natural gas, nuclear and hydro, are discussed one by one as well as part of the electricity mixes. Photovoltaic systems are covered separately since they are not included in the electricity mixes. A sensitivity analysis on methane leakage during long-range transport via pipeline is shown. Whilst within the current study emissions are not attributed to specific countries, the main sectors contributing to the total GHGs emissions calculated for the various FENCHs are specified. (author). 10 refs, 10 figs, 9 tabs.
1996-07-01
Financial evaluation of renewable energy technologies for irrigation water pumping in India
International Nuclear Information System (INIS)
An attempt to develop a simple framework for financial evaluation of renewable energy technologies (RETs) such as photovoltaic (PV) pump, windmill pump, biogas and producer gas-driven dual fuel engine pumps for irrigation water pumping has been made. The unit cost of water and unit cost of useful energy delivered by the RETs have been estimated. The monetary benefits that accrued to the end-user have been quantified in terms of the amount of diesel or electricity saved. Financial figures of merit for the investments made in the RETs have been estimated. The effect of fuel price escalation on these measures of financial performance has also been evaluated along with the estimation of the break-even prices of fuels likely to be substituted by RETs. Results of some exemplifying calculations are presented and briefly discussed.
2007-06-01
International Nuclear Information System (INIS)
The excitation functions of the reactions "9"8Mo(d,p)"9"9Mo and "1"0"0Mo(d,p)"1"0"1Mo have been determined by irradiation of stacked foils with deuterons of energies less than 13 MeV and non-destructive determination of the absolute activity of the Mo radioisotopes by semiconductor #gamma#-ray spectrometry. From the excitation functions, the thick-target yields and the saturation production rates of "9"9Mo and "1"0"1Mo for deuteron energies of 13.0 MeV and 11.7 MeV have been calculated. Implications for the production of "9"9Mo for generators of sup(99m)Tc are discussed. (author).
Energy Technology Data Exchange (ETDEWEB)
The intrinsic energy levels in the doubly odd isotopes of Np with mass number 238 and of Am with mass numbers 240, 242 and 244 are calculated using the zero-range neutron-proton residual interaction whose parameters are evaluated using the atomic masses and the ground state Gallagher-Moszkowski splitting energy in each case. A configuration dependence of the residual interaction is in evidence in several cases. The results are compared with the experimental data and the comparison is used to check on the two-particle configuration assignments to the intrinsic states in the respective spectra. Encouraged by the nature and the degree of the agreement of the theory with the available experimental data, predictions are made about the expected location of the as yet unobserved two-quasiparticle states in these nuclei.
1982-01-18
Electricity generation from rice husk in Indian rice mills: potential and financial viability
Energy Technology Data Exchange (ETDEWEB)
Rice husk generated as a by-product of rice processing is an important energy resource. The availability of this resource in India has been assessed and the technologies for exploitation of its energy potential in rice processing industry discussed. Nomographs have been developed for estimation of the husk required to meet the energy demand of parboiling, drying and milling operations. The unit cost of electricity using rice husk gasifier-based power generation systems has been calculated and its financial feasibility assessed in comparison with utility-supplied and diesel-generated electricity. With the cost and efficiency data assumed here, the unit cost of electricity produced by rice husk gasifier-dual fuel engine-generator system varies between Rs 2/kWh and Rs 7/kWh. (author)
1996-10-01
Electricity generation from rice husk in Indian rice mills: potential and financial viability
Energy Technology Data Exchange (ETDEWEB)
Rice husk generated as a by-product of rice processing is an important energy resource. The availability of this resource in India has been assessed and the technologies for exploitation of its energy potential in the rice processing industry discussed. Nomographs have been developed for estimation of the husk required to meet the energy of parboiling, drying and milling operations. The unit cost of electricity using rice husk gasifier-based power generation systems has been calculated and its financial feasibility assessed in comparison with utility-supplied and diesel-generated electricity. With the cost and efficiency data assumed here, the unit cost of electricity produced by rice husk gasifier-dual fuel engine-generator system varies between Rs 2/kWh and Rs 7/kWh. (35 Rs approximates to SUS 1.). (author)
1998-12-31
Effects of the alfven wave spectrum in heating experiments in TCA
International Nuclear Information System (INIS)
Reduction of the metallic impurity concentration in the TCA plasma has enabled us to correlate the observed heating with the calculated position where the rf energy is deposited. In modelling the measured antenna loading due to the presence of Alfven resonance surfaces, and hence inferring the energy deposition profile, both ion cyclotron effects and the toroidal geometry must be considered. In particular, toroidicity couples energy to resonance surfaces that would not be excited in cylindrical geometry. The increase in electron density during a rf pulse changes the positions of these surfaces so that spectrum-related effects may be observed. The appearance of a new surface at the centre of the plasma is seen as a sharp discontinuity on many of the macroscopic parameters, accompanied by evidence of changes in the current density profile. These results, and the predictions of numerical codes, have ...
Energy Technology Data Exchange (ETDEWEB)
The spectrum of antiprotons from dark matter annihilation are calculated using the Lund Monte Carlo program, and simple analytic expressions for the spectrum and low-energy antiproton/proton ratio are derived. Comparing the results with recent upper limits on low energy antiprotons, it is concluded that the reported 4-13 GeV antiproton flux cannot be accounted for by dark matter annihilation. The new upper limits do not provide useful constraints on dark matter particles. They restrict the annihilation rate and imply that annihilation gamma ray and e(+) fluxes would be far below the fluxes produced by cosmic-ray collisions. It may be possible to look for a dark matter halo annihilation signal at antiprotons energies below 0.5 GeV, where the flux from cosmic-ray collisions is expected to be negligible. 32 references.
1989-01-01
Atmospheric proton and deuterium energy spectra determination with the MASS2 experiment
Energy Technology Data Exchange (ETDEWEB)
The energy spectra of atmospheric-secondary protons and deuterium nuclei have been measured during the September 23, 1991, balloon flight of the NMSU/Wizard - MASS2 instrument. The apparatus was launched from Fort Sumner, New Mexico. The geomagnetic cutoff at the launch site is about 4.5 GV/c. The instrument was flown for 9.8 hours at an altitude of over 100,000 feet. Particles detected below the geomagnetic cutoff have been produced mainly by the interactions of the primary cosmic rays with the atmosphere. The measurement of cosmic ray energy spectra below the geomagnetic cutoff provide direct insights into the particle production mechanism and allows comparison to atmospheric cascade calculations.
1995-09-01
Energy Technology Data Exchange (ETDEWEB)
We present two applications of CR-39 to estimate biological effects of heavy ion irradiation. The accurate measurement of fluence of ions using CR-39 is indispensable to calculate the action cross sections for biological effects. Ions with 6 MeV/n at the Medium Energy Beam Course, HIMAC (NIRS) were extracted to the air, and degraded with the air. DNA and living cells were irradiated by ions with various specific energies at several air columns along with the Bragg curve. DNA strand breaks and cell killing were measured and the results were converted to the action cross sections using the fluence measured with CR-39 at the irradiation positions. Another example of the application of CR-39 is to identify whether the ions with a specific energy pass through the cell or stop within the cell. (author)
2001-10-01
International Nuclear Information System (INIS)
Using the electron energy-loss method in a merged electron-ion beams geometry absolute, cascade-free excitation cross sections have been measured for the resonance "2S#->#"2P transition in Zn"+. Measurements were carried out at electron energies of below threshold (threshold at 6.011 eV) to 40 eV. Results are in very good agreement with close-coupling calculations and, away from threshold, lie below absolute line-emission cross sections which include effects of cascade into the "2P state from higher levels.
1991-02-20
Crystal field analysis of the energy level structure of Cs{sub 2}NaAlF{sub 6}:Cr{sup 3+}
Energy Technology Data Exchange (ETDEWEB)
An analysis of the energy level structure of Cr{sup 3+} ions in Cs{sub 2}NaAlF{sub 6} crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr{sup 3+} ions at the two crystallographically inequivalent sites in Cs{sub 2}NaAlF{sub 6}. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr{sup 3+} ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the latter axis system matches the symmetry-adapted axis system ...
2006-06-07
Crystal field analysis of the energy level structure of Cs2NaAlF6:Cr3+
International Nuclear Information System (INIS)
An analysis of the energy level structure of Cr3+ ions in Cs2NaAlF6 crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr3+ ions at the two crystallographically inequivalent sites in Cs2NaAlF6. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr3+ ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the latter axis system matches the symmetry-adapted axis system related directly to the six Cr-F bonds well. ...
2006-06-07
Energy Technology Data Exchange (ETDEWEB)
(12/11)CASSCF and (12/11)CASPT2 ab initio electronic structure calculations with both the cc-pVDZ and cc-pVTZ basis sets find that there is a barrier to the very exothermic hydrogen shift that converts singlet methylnitrene, CH{sub 3}N, to methyleneimine, H{sub 2}C{double{underscore}bond}NH. These two energy minima are connected by a transition structure of C{sub s} symmetry, which is computed to lie 3.8 kcal/mol above the reactant at the (12/11)CASPT2/cc-pVTZ//(12/11)CASSCF/cc-pVTZ level of theory. The (12/11)CASSCF/cc-pVTZ value for the lowest frequency vibration in the transition structure is 854 cm{sup {minus}1}, and CASPT2 calculations concur that this a{double{underscore}prime} vibration does indeed have a positive force constant. Thus, there is no evidence that this geometry is actually a mountain top, rather than a transition structure, on the global potential energy surface or that a C{sub 1} ...
2000-02-16
Energy Technology Data Exchange (ETDEWEB)
In the investigations reported here, a helium-jet/tape-transport system was used for the rapid transfer of fission products to a low-background environment where their aggregate beta and gamma-ray spectra were measured as a function of delay time after neutron induced fission of {sup 235}U, {sup 238}U and {sup 239}Pu. Beta and gamma-ray energy distributions have been deduced for delay times as short as 0.2 s and extending out to 100,000s. Instrumentation development during the initial phase of the project included: (1) assembly and characterization of a NaI(Tl) spectrometer for determining aggregate gamma-ray energy distributions, (2) development and characterization of a beta spectrometer (having excellent gamma-ray rejection) for measuring aggregate beta-particle energy distributions, (3) assembly and characterization of a Compton-suppressed HPGe spectrometer for determining gamma-ray intensities of individual fission ...
1997-05-01
Semirelativistic technique for k#centre dot#p calculations: Optical properties of Pd and Pt
International Nuclear Information System (INIS)
A semirelativistic two-component extended linear augmented plane-wave k#centre dot#p method is described. In order to ensure a high accuracy of the k#centre dot#p method, it is necessary to include into the radial-basis set, which is used for the augmentation of the plane waves, functions that are neither solutions of the Schrodinger equation nor their energy derivatives. The usual scalar relativistic procedure, which is nonlinear in energy, is not applicable to such basis sets. As an alternative, we suggest an approximation to the Foldy-Wouthuysen Hamiltonian that produces an explicitly Hermitean matrix in the augmented plane wave representation. The technique is applied to the calculation of the full dielectric matrix and optical properties of palladium and platinum metals over the photon energy region up to 100 eV. Special attention is paid to the far ultraviolet absorption by the excitations of ...
2001-06-15
Nonlinear dynamic analysis of high energy line pipe whip
International Nuclear Information System (INIS)
To facilitate potential cost savings in pipe whip protection design, TVA conducted a 1'' high pressure line break test to investigate the pipe whip behavior. The test results are available to EPRI as a data base for a generic study on nonlinear dynamic behavior of piping systems and pipe whip phenomena. This paper describes a nonlinear dynamic analysis of the TVA high energy line tests using ABAQUS-EPGEN code. The analysis considers the effects of large deformation and high strain rate on resisting moment and energy absorption capability of the analyzed piping system. The numerical results of impact forces, impact velocities, and reaction forces at pipe supports are compared to the TVA test data. The pipe whip impact time and forces have also been calculated per the current NRC guidelines and compared. The calculated pipe support reaction forces prior to impact have been found to be in good agreement ...
DOE personnel neutron dosimetry evaluation and upgrade program
Energy Technology Data Exchange (ETDEWEB)
The US Department of Energy (DOE) sponsors an extensive research program to improve the methods, dosimeters, and instruments available to DOE facilities for measuring neutron dose and assessing its effects on the work force. The Total Dose Meter was recently developed for measuring in real time the adsorbed dose of mixed neutron and gamma radiation and for calculating the dose equivalent. The Field Neutron Spectrometer was developed to provide a portable instrument for determining neutron spectra in the workplace for flux-to-dose equivalent conversion and quality factor calculation. The Combination Thermoluminescence/Track Etch Dosimeter (TLD/TED) was developed to extend the effective neutron energy range of the conventional TLDs to improve detection of fast-energy neutrons. An Optically Stimulated Luminescence Dosimeter is presently being developed for application to gamma, ...
1988-10-01
Energy Technology Data Exchange (ETDEWEB)
A study has been made of the reaction [sup 86]Kr + [sup 63]Cu at incident energies of 486, 550, 640, and 730 MeV. Measurements include cross sections, angular distributions, and energy spectra for light charged particles ([sup 1,2,3]H and [sup 4]He), intermediate mass fragments (IMF) (4 [le] Z [le] 17), and heavy fragments (Z [ge] 18). Coincidences between light charged particles and between particles and fragments have been measured to obtain cross sections, energy spectra, and angular distributions. Statistical model analysis of the energy spectra for [sup 1]H and [sup 4]He detected in coincidence with the fragments has allowed estimation of [sup 1]H and [sup 4]He multiplicities associated with the evaporation residues, fragments, and composite nuclei prior to scission. A comparison of cross sections, energy spectra, angular distributions, and particle multiplicities for these ...
1992-01-01
Energy Technology Data Exchange (ETDEWEB)
Section 127 of the Energy Policy Act requires that the Department of Energy (DOE) prepare a report to Congress on the potential for the development and commercialization of appliances that substantially exceed the present federal or state efficiency standards. Candidate high-efficiency appliances must meet several criteria including: the potential exists for substantial improvement (beyond the minimum established in law) of the appliance`s energy efficiency; electric, water, or gas utilities are prepared to support and promote the commercialization of such appliances; manufacturers are unlikely to undertake development and commercialization of such appliances on their own, or development and production would be substantially accelerated by support to manufacturers. This report describes options to improve the efficiency of residential appliances, including water heaters, clothes washers and dryers, refrigerator/freezers, ...
1995-01-01
Concepts of radiotherapy treatment planning
International Nuclear Information System (INIS)
Full text: Radiotherapy treatment planning (RTP) relies heavily on medical imaging. Until recently, the most important planning tool was the treatment simulator. The kilovoltage radiographic capabilities in a treatment simulator enabled the boundaries of treatment fields to be visualized with respect to bony anatomic landmarks. Perhaps the most important advance in treatment planning in recent years is the ability to visualize the passage of the beams with respect to a more accurate geometrical representation of the tumor and other soft tissue structures. This 'virtual simulation' uses a computer-based representation of a patient to determine the extent of the disease and the location of radiation sensitive normal tissue. Computer tomographic (CT) imaging produces a high-resolution three-dimensional representation of anatomy that can be correlated with other image sets such as magnetic resonance images (MRI) of function. Positron emission tomographic (PET) imaging is beginning to be ...
2000-12-01
International Nuclear Information System (INIS)
Convolution/superposition (C/S) is regarded as the standard dose calculation method in most modern radiotherapy treatment planning systems. Different implementations of C/S could result in significantly different dose distributions. This paper addresses two major implementation issues associated with collapsed cone C/S: one is how to utilize the tabulated kernels instead of analytical parametrizations and the other is how to deal with voxel size effects. Three methods that utilize the tabulated kernels are presented in this paper. These methods differ in the effective kernels used: the differential kernel (DK), the cumulative kernel (CK) or the cumulative-cumulative kernel (CCK). They result in slightly different computation times but significantly different voxel size effects. Both simulated and real multi-resolution dose calculations are presented. For simulation tests, we use arbitrary kernels and various voxel sizes with a homogeneous ...
2005-02-21
Hybrid functionals and their application to small molecules and solids
International Nuclear Information System (INIS)
Full text: Hybrid functionals, containing a fraction of the exact exchange, allow for a rather accurate treatment of e.g. small molecules and band gaps in bulk materials. A plane-wave based algorithm was implemented in VASP (Vienna Ab-initio Simulation Package) to accomplish the calculation of the exact exchange. Two functionals including exact exchange are presently available, i.e. the PBE0 (Perdew-BurKEX-Ernzerhof) and the HSE (Heyd-Scuseria-Ernzerhof). A rigorous assessment of the implementation was performed by geometry optimization and calculation of the atomization energies of the G2-1 quantum chemical test set, containing 55 molecules. Excellent agreement compared to corresponding Gaussian 03 data and good agreement with experiment was achieved. The mean absolute error (theory related to experiment) for the atomization energies calculated with the PBE and the PBE0 is 8.6 and ...
2005-09-27
Shell-model calculations for the energy levels of the /ital N/=50 isotones with /ital A/=80--87
Energy Technology Data Exchange (ETDEWEB)
The detailed features of the calculated energy-level schemes and of thesingle-particle, orbit-occupancy properties of the low-lying levels of the/ital N/=50 isotones /sup 80/Zn, /sup 81/Ga,/sup 82/Ge, /sup 83/As, /sup 84/Se,/sup 85/Br, /sup 86/Kr, and /sup 87/Rb arepresented and discussed. These results are obtained with a new effectiveHamiltonian operator obtained empirically from an iterative fit to experimentalenergies taken from all experimentally studied (/ital A/=82--96)/ital N/=50 nuclei. The model space for the calculations consists ofactive 0/ital f//sub 5/2/, 1/ital p//sub 3/2/,1/ital p//sub 1/2/, and 0/ital g//sub 9/2/ proton orbits relativeto a nominal /sup 78/Ni core. This space is truncated internally byrestricting the number of particles excited from the negative-parity orbitsinto the /ital g//sub 9/2/ orbit to be no greater than four. The typicalstructures predicted for these lighter /ital N/=50 isotones are ...
1989-07-01
Electronic and structural properties of #beta#-Be_3N_2
International Nuclear Information System (INIS)
We report the results of a theoretical study of the electronic and structural properties of the hexagonal beryllium nitride, using first principle pseudopotential plane wave (PP-PW) as well as full potential linearized augmented plane wave (FP-LAPW) methods within density functional theory. In the case of PP-PW we generated the pseudopotential by the highly optimized Q_c-tuning method and used the local density approximation and generalized gradient approximation (GGA) for the exchange-correlation potential. We applied pressure on the unit cell by the Wentzcovitch and traditional methods. In the FP-LAPW approach only the GGA was used for the exchange-correlation potential. Our calculated values for structural properties, based on both approaches are in reasonable agreement with experimental and other theoretical (Hartree Fock) results. By applying the above two approaches and also the Tight Binding Linear Muffin Thin Orbital method, the ground state Kohn-Sham ...
Development of wood fuel delivery logistics; Puupolttoaineiden hankintalogistiikan kehittaeminen
Energy Technology Data Exchange (ETDEWEB)
The main aim of the project is to model the energy wood business and total logistics in a certain large region. First, wood utilisation locations inside this area are examined; the most important ones are the wood processing factories, and the heating- and power plants. After that, wood potentials in the forests of the area are evaluated in sub-areas suitable in size and sufficiently detailed for further evaluations. For that purpose, the most valuable source data are forest management plans, up to ten years forward, on which basis the wood fuel potentials can be evaluated following sustainable development. In Finland there are extensive and detailed data bases storing forest information and it is possible to collect necessary data for a data base applicable to our calculations. In logistical sense it is important to know, by which delivery chains the economically best and desired results are achieved. The software prototype based on data base ...
1996-12-31
Energy Technology Data Exchange (ETDEWEB)
The importance of cellular dosimetry in both diagnostic and therapeutic nuclear medicine is becoming increasingly recognized. Experimental range-energy relations for electrons and alpha particles, along with derived geometric reduction factors, are used to calculate cellular absorbed fractions for these radiations. The resulting absorbed fractions are employed to calculate cellular S-values for several radionuclides. Cellular absorbed fractions for monoenergetic electron sources with energies ranging from 0.1 keV to 1 MeV, distributed uniformly in the source region, are calculated for several target {l_arrow} source combinations including cell{l_arrow}cell, cell{l_arrow}cell surface, nucleus{l_arrow}nucleus, nucleus {l_arrow}cytoplasm and nucleus {l_arrow}cell surface. Similar data are also provided for monoenergetic alpha particle sources with energies ranging ...
1994-02-01
Calibration of cylindrical detectors using a simplified theoretical approach
Energy Technology Data Exchange (ETDEWEB)
The calibration of cylindrical detectors using different types of radioactive sources is a matter of routine. The most accurate method, that of experiment, is limited by several factors when the energy interval is broad, requiring a relatively large number of primary standards, implying considerable investment of money and time. Several other techniques can be used instead, including Monte Carlo simulations and semi-empirical methods. Calculations based on the first technique require good definition of the geometry and materials, including the dead layer and window thickness together with an accurate set of cross-sections. The second technique requires two different types of experimental input, the first being from use of sources emitting cascade {gamma} rays and the second from use of sources emitting isolated {gamma} rays in order to cover the wide energy range and provide coincidence-summing corrections, respectively. ...
2006-09-15
Two-phase flow regime management for in-space power rejection management -- Feasibility study
Energy Technology Data Exchange (ETDEWEB)
A novel two-phase flow management process useful for active thermal power rejection in space is introduced. The process serves as a condenser in a Rankine cycle and is applicable for thermal energy management needs in low gravity environments. Benefit is derived from the ability to utilize the high specific energy transport capability of two-phase flow, while not requiring mass-intensive solutions nor complex control strategies to maintain design energy balance integrity. Initial design calculations for a hypothetical space vapor cycle demonstration experiment were done and a steady-state computer model of the novel condensing process was created and used to evaluate its potential to maintain the design energy balance of the experiment. The experiment (approximately 28 kg) was a supercritical organic thermal loop operating between 500 and 400 Kelvin at a mass flow of 1 grain per ...
1995-12-31
Solar-powered unmanned aerial vehicles
Energy Technology Data Exchange (ETDEWEB)
An analysis was performed to determine the impact of various power system components and mission requirements on the size of solar-powered high altitude long endurance (HALE)-type aircraft. The HALE unmanned aerial vehicle (UAV) has good potential for use in many military and civil applications. The primary power system components considered in this study were photovoltaic (PV) modules for power generation and regenerative fuel cells for energy storage. The impact of relevant component performance on UAV size and capability were considered; including PV module efficiency and mass, power electronics efficiency, and fuel cell specific energy. Mission parameters such as time of year, flight altitude, flight latitude, and payload mass and power were also varied to determine impact on UAV size. The aircraft analysis method used determines the required aircraft wing aspect ratio, wing area, and total mass based on maximum endurance or minimum ...
1996-12-31
Simulation of a Standing-Wave Free-Electron Laser
Energy Technology Data Exchange (ETDEWEB)
The standing-wave free-electron laser (FEL) differs from a conventional linear-wiggler microwave FEL in using irises along the wiggler to form a series of standing-wave cavities and in reaccelerating the beam between cavities to maintain the average energy. The device has been proposed for use in a two-beam accelerator (TBA) because microwave power can be extracted more effectively than from a traveling-wave FEL. The standing-wave FEL is modeled in the continuum limit by a set of equations describing the coupling of a one-dimensional beam to a TE{sub 01} rectangular-waveguide mode. Analytic calculations and numerical simulations are used to determine the time variation of the reacceleration field and the prebunching required so that the final microwave energy is the same in all cavities. The microwave energy and phase are found to be insensitive to modest spreads in the beam energy ...
1990-09-01
Hybrid solution and pump-storage optimization in water supply system efficiency: A case study
International Nuclear Information System (INIS)
Environmental targets and saving energy have become ones of the world main concerns over the last years and it will increase and become more important in a near future. The world population growth rate is the major factor contributing for the increase in global pollution and energy and water consumption. In 2005, the world population was approximately 6.5 billion and this number is expected to reach 9 billion by 2050 [United Nations, 2008. (www.un.org), accessed on July]. Water supply systems use energy for pumping water, so new strategies must be developed and implemented in order to reduce this consumption. In addition, if there is excess of hydraulic energy in a water system, some type of water power generation can be implemented. This paper presents an optimization model that determines the best hourly operation for 1 day, according to the electricity tariff, for a pumped storage system with water ...
2008-11-01
Controlling Schottky energy barriers in organic electronic devices using self-assembled monolayers
Energy Technology Data Exchange (ETDEWEB)
We demonstrate tuning of Schottky energy barriers in organic electronic devices by utilizing chemically tailored electrodes. The Schottky energy barrier of Ag on poly[2-methoxy], 5-(2{prime}-ethyl-hexyloxy)- 1,4-phenylene was tuned over a range of more than 1 eV by using self-assembled monolayers (SAM{close_quote}s) to attach oriented dipole layers to the Ag prior to device fabrication. Kelvin probe measurements were used to determine the effect of the SAM{close_quote}s on the Ag surface potential. {ital Ab} {ital initio} Hartree-Fock calculations of the molecular dipole moments successfully describe the surface potential changes. The chemically tailored electrodes were then incorporated in organic diode structures and changes in the metal/organic Schottky energy barriers were measured using an electroabsorption technique. These results demonstrate the use of self-assembled monolayers to control ...
1996-11-01
Energy Technology Data Exchange (ETDEWEB)
Wood usage for cooking and heating is still very relevant in most developing countries especially those of sub-Saharan Africa and many parts of Asia. Therefore, sustainable means of generating it for this and other purposes are necessary bearing in mind the influence of indigenous knowledge/users' perspective on any production method regarding success and sustenance. In conformity with this view, questionnaires were administered on 240 respondents in 8 rural communities of Akinyele and Ido Local Government Areas (LGAs) of Oyo State, Nigeria, to elicit information on species that can be used as fuelwood, preferred by the respondents for incorporation into and/or retention in agroforestry plots, out of which 179 (i.e. 75% of the total number of questionnaires administered) were successfully retrieved for statistical analyses. Twelve woody species namely: Annona senegalensis, Anogeissus leiocarpus, Bridelia ferruginea, Daniellia oliveri, Detarium microcarpum, ...
2009-10-15
International Nuclear Information System (INIS)
The interaction of the herbicide paraquat dichloride (P Q, substrate) with p-tert-butylcalix arenas (L, receptor) was investigated in both the solution and solid states. The isolated paraquat calixarene complexes were characterised by UV-visible, 1H NMR, ESI-Ms, Luminescence and IR spectroscopies and elemental analysis. The stoichiometry of complexes 1 and 2 was 1:1 (1 herbicide: 1 calixarene) and both revealed a biexponential luminescence decay with lifetimes depending on the size and the conformational particularity of the calixarenes. Molecular modelling suggested that both calixarenes interact with the herbicide through cation-? interaction. P Q in included in the p-tert butylcalix a rene cavity, a situation favoured by its pinched conformation in polar solvent while it is partially included in the p-tert butylcalix a rene cavity because of its in-out cone conformation. The theoretical results, in particular using Mopac ...
Studies of the involvement of metal ions with several medicinal agents
Energy Technology Data Exchange (ETDEWEB)
NMR and CD studies indicate that Mg/sup 2 +/ and Ca/sup 2 +/ are able to change the conformation of tetracycline in DMSO solution. This may affect the in vivo effect of tetracycline. Using /sup 23/Na NMR, the formation constant of NaLAS (LAS represents the anion of lasalocid A) was found to be 80 M/sup -1/ which is much smaller than that in less polar solvents. Spin-lattice relaxation measurements were made to study the binding sites of Gd/sup 3 +/ on Las in ChCl/sub 3/-DMF mixed solvent system. No intermediate conformation (between cyclic and open-chain) was found. LAS was found to be a good second-sphere ligand to inert transition-metal amines. NMR studies suggest that LAS is in cyclic conformation when bound to these metal amines. A new method for the synthesis of spin-labeled anticancer Pt(II) complexes was developed. It is very simple and gives high yield of pure spin-labeled Pt(II) complexes.
1985-01-01
de Haas--van Alphen effect and Fermi surface of lutetium
International Nuclear Information System (INIS)
We report de Haas--van Alphen measurements of the Fermi surface of lutetium at temperatures down to 0.3 K and in fields up to 150 kG in the (1010) and (1120) planes. Lutetium, having a filled 4f shell, serves as a nonmagnetic prototype of the structurally similar (hcp), trivalent, heavy rare-earth elements from Gd to Tm. The fact that no complete frequency branches were observed indicates that there are no closed pieces of the Fermi surface. We observed all but one orbit predicted by relativistic augmented-plane-wave calculations of Keeton and Loucks and by recent spin-orbit--linearized-augmented-plane-wave calculations of Tibbetts and Harmon. The data support a geometry similar to that of yttrium, and in good qualitative agreement with energy-band theory.
Energy Technology Data Exchange (ETDEWEB)
Using a noneikonal expression for the two-body scattering amplitude, consistent with the proton-nucleon scattering data, the cross-section of the 1.04 GeV-proton elastic scattering on {sup 40}Ca is calculated by the Glauber-Sitenko theoretical scheme in the framework of the coherent density fluctuation model (CDFM) as well as of the independent-particle model (IPM). It is shown that the use of the noneikonal amplitude in the CDFM calculations improves the agreement with the experimental data especially at larger scattering angles in contrast to the case of the independent-particle model. To that end a decisive role play the zero-motion flucton correlations taken into account in the CDFM. (orig.).
1990-07-01
International Nuclear Information System (INIS)
Using a noneikonal expression for the two-body scattering amplitude, consistent with the proton-nucleon scattering data, the cross-section of the 1.04 GeV-proton elastic scattering on "4"0Ca is calculated by the Glauber-Sitenko theoretical scheme in the framework of the coherent density fluctuation model (CDFM) as well as of the independent-particle model (IPM). It is shown that the use of the noneikonal amplitude in the CDFM calculations improves the agreement with the experimental data especially at larger scattering angles in contrast to the case of the independent-particle model. To that end a decisive role play the zero-motion flucton correlations taken into account in the CDFM. (orig.).
Studies of the low-lying levels in /sup 192/Pt and /sup 192/Os
Energy Technology Data Exchange (ETDEWEB)
The energy level schemes of /sup 192/Os and /sup 192/Pt have been established on the basis of ..gamma..-..gamma.. coincidence studies using a dual parameter data collection system. Ge(Li) detectors were employed to study the gamma spectra produced in the E.C. and ..beta../sup -/ decays of /sup 192/Ir to /sup 192/Os and /sup 192/Pt, respectively. Thirteen new transitions and three new levels at 1146.95, 1237.35 and 1913.76 keV are suggested. Relative intensities from singles measurements, branching ratios, ..cap alpha..(K) and log ft values were calculated and multipolarities, spins and parities deduced. Comparisons are made with predictions of the Interacting Boson Model calculated on the basis of an O(6) to SU(3) transition.
1985-02-01
Studies of the low-lying levels in "1"9"2Pt and "1"9"2Os
International Nuclear Information System (INIS)
The energy level schemes of "1"9"2Os and "1"9"2Pt have been established on the basis of #gamma#-#gamma# coincidence studies using a dual parameter data collection system. Ge(Li) detectors were employed to study the gamma spectra produced in the E.C. and #beta#"- decays of "1"9"2Ir to "1"9"2Os and "1"9"2Pt, respectively. Thirteen new transitions and three new levels at 1,146.95, 1,237.35 and 1,913.76 keV are suggested. Relative intensities from singles measurements, branching ratios, #alpha#(K) and log ft values were calculated and multipolarities, spins and parities deduced. Comparisons are made with predictions of the Interacting Boson Model calculated on the basis of an O(6) to SU(3) transition. (orig.).
1985-01-01
Spectroscopy and photophysics of mono methyl-substituted alloxazines
Energy Technology Data Exchange (ETDEWEB)
Singlet-singlet and triplet-triplet absorption spectra of a series of methyl-alloxazines were calculated using the time-dependent density-functional theory approach and compared to experimental results. The B3LYP functional provides good correlation between experimental and theoretical results, given that solvent effects are disregarded in the present calculations. Substituent and solvent dependences of the lowest, closely spaced, n,{pi}* and {pi},{pi}* excited state energies are discussed, their order being of consequence in determining the non-radiative decay rates and thus emission quantum yields and lifetimes. The high quantum yields of singlet oxygen formation indicate that the triplet state is formed by efficient intersystem crossing from the first singlet excited state.
2004-05-31
Spectroscopic properties of the f-elements in compounds and solutions. [79 references
Energy Technology Data Exchange (ETDEWEB)
In this systematic examination of some of the spectroscopic properties of the f-elements we deal with both the trivalent lanthanides and actinides. We summarize the present status of our energy level calculations in single crystal matrices and in aqueous solution, and compare the predicted crystal-field structure in certain low-symmetry sites with that observed. Some interesting new structural insights are thereby gained. The state eigenvectors from these calculations are then used in part in reassessing and interpreting the intensities of transitions in aqueous solution via the Judd-Ofelt theory. The parameters of this theory derived from fitting experimental data are compared with those computed from model considerations. Finally, we discuss some recent contributions to the interpretation of excited state relaxation processes in aqueous solution. 79 references, 23 figures, 17 tables.
1982-01-01
Procedure for radiation dose control in irradiated tissues during electron-beam therapy
International Nuclear Information System (INIS)
The invention refers a procedure of radiation dose control in irradiated tissues during electron-beam therapy. It aims at meeting the planned radiation dose for diseased tissues and taking care of the healthy ones. Therefore, the dose distribution required is determined before irradiation in consideration of such factors as energy-dependence of detector sensitivity, self-absorption within the tissue, and relative biological effectiveness. Furthermore, the expected intensity distribution of secondary quantum radiation excited in the irradiated tissue is calculated. A radiation detector for local resolution is used for registration. During irradiation the calculated intensity distribution is compared with the measured one. The invention is applicable in radiation therapy with monoenergetic electron beams.
1984-11-08
Plane-wave-basis pseudopotential calculations of the surface relaxations of Ti(0001) and Zr(0001)
International Nuclear Information System (INIS)
The relaxations of the Ti(0001) and Zr(0001) surfaces are studied using the plane-wave-basis pseudopotential method within the local-density approximation. We find that the first interlayer spacings of Ti(0001) and Zr(0001) are contracted with respect to the bulk spacings by 6.8% and 6.1%, respectively. Such large relaxations for the close-packed surfaces of Ti and Zr are in good agreement with recent linear-augmented-plane-wave calculations. In addition, we predict a weak vibrational effect on the surface relaxation of Zr(0001) by considering the free energy in the quasiharmonic approximation. This result can be attributed to a very strong bonding between the first- and second-layer Zr atoms as a consequence of the bond-order endash bond-length correlation. copyright 1997 The American Physical Society.
Photon beam modelling with Pinnacle3 Treatment Planning System for a Rokus M Co-60 Machine
International Nuclear Information System (INIS)
The basic relationships of the convolution/superposition dose calculation technique are reviewed, and a modelling technique that can be used for obtaining a satisfactory beam model for a commercially available convolution/superposition-based treatment planning system is described. A fluence energy spectrum for a Co-60 treatment machine obtained from a Monte Carlo simulation was used for modelling the fluence spectrum for a Rokus M machine. In order to achieve this model we measured the depth dose distribution and the dose profiles with a Wellhofer dosimetry system. The primary fluence was iteratively modelled by comparing the computed depth dose curves and beam profiles with the depth dose curves and crossbeam profiles measured in a water phantom. The objective of beam modelling is to build a model of the primary fluence that the patient is exposed to, which can then be used for the calculation of the dose deposited in the ...
Energy Technology Data Exchange (ETDEWEB)
Theoretical investigations of fatty acids as a phase change material (PCM) for energy storage system have been conducted in this study. The selected fatty acids were capric acid, lauric acid, myristic acid, palmitic acid and stearic acid. For the two-dimensional simulation model based on the enthalpy approach, calculations have been made for the melt fraction with conduction only. Glass, stainless steel, tin, aluminium mixed, aluminium and copper were used as heat exchanger materials in the numerical calculations. Theoretical results show that capric acid was found good compatibility with latent heat storage system. The large value of thermal conductivity of heat exchanger materials did not make significant contribution on the melt fraction. (author)
2005-11-01
Isomeric states and spin polarization in A approx. 90 nuclei
Energy Technology Data Exchange (ETDEWEB)
The observed inhibition of M4 transitions in A approx. 90 nuclei has represented a long standing theoretical problem. In particular by calculating first- and second-order configuration mixing contributions to the inhibited M4 lifetimes of /sup 89/Y and /sup 87/Sr, it is found that the first-order perturbative treatment of the residual interaction usually used in shell-model calculations is unjustified in this case. Using random-phase approximation techniques, the renormalization effects of collective (''giant'') M4 resonances in /sup 88/Sr on the low energy M4 transitions in /sup 89/Y and /sup 87/Sr are investigated. It is concluded that the observed retardation of M4 lifetimes in these nuclei is consistent with the manifestation of nuclear spin polarization.
1980-04-01
Improvements on burnup chain model and group cross section library in the SRAC system
Energy Technology Data Exchange (ETDEWEB)
Data and functions of the cell burnup calculation of the SRAC system were revised to improve mainly the accuracy of the burnup calculation of high conversion light water reactors (HCLWRs). New burnup chain models were developed in order to treat fission products (FPs) and actinide nuclides in detail. Group cross section library, SRACLIB-JENDL2, was generated based on JENDL-2 nuclear data file. In generating this library, emphasis was placed on FPs and actinides. Also revised were the data such as the average energy release per fission for various actinides. These improved data were verified by performing the burnup analysis of PWR spent fuels. Some new functions were added to the SRAC system for the convenience to yield macroscopic cross sections used in the core burnup process. (author).
1992-01-01
Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks
British Library Electronic Table of Contents (United Kingdom)
In this Letter, we present Quantum Mechanics/Molecular Mechanics (QM/MM) calculations on molecules containing a 2-deoxycytidine-3prime-monophosphate moiety (3prime-dCMPH). In particular, we examine the effect that including neighbouring nucleotides at the Molecular Mechanic (MM) level has on the calculated electron affinities and on the energetic barriers of the C3prime-O3prime bond cleavage. Our results demonstrate that the surrounding nucleotides relocate the excess electron from the p* orbital of the base to a diffuse phosphate-centred orbital, leading to the formation of a dipole-bound anion state. Both the electron affinities and the activation energy of C3prime-O3prime bond cleavage are strongly increased.
2009-01-01
Gamma-rays and neutrinos from the pulsar wind nebulae
Energy Technology Data Exchange (ETDEWEB)
We construct the time-dependent radiation model for the pulsar wind nebulae (PWNe), assuming that leptons are accelerated in resonant scattering with heavy nuclei, which are injected into the nebula by the pulsar. The equilibrium spectra of these particles inside the nebula are calculated taking into account their radiation and adiabatic energy losses. The spectra of {gamma}-rays produced by these particles are compared with the observations of the PWNe emitting TeV {gamma}-rays and predictions are made for the expected {gamma}-ray fluxes from other PWNe. Expected neutrino fluxes and neutrino event rates in a 1 km{sup 2} neutrino detector from these nebulae are also calculated. It is concluded that only the Crab Nebula can produce a detectable neutrino event rate in the 1 km{sup 2} neutrino detector. Other PWNe can emit TeV {gamma}-rays on the level of a few percent of that observed from the Crab Nebula.
2005-08-01
International Nuclear Information System (INIS)
From the first principles total energy calculations based on full-potential linear augmented plane wave method (FPLAPW), the elastic properties of XPt_3 (X=V, Cr, Mn, Fe, Co, Ni) are reported here. Theoretical values of Young's modulus, shear modulus, Poisson's ratio and Debye temperature are estimated from the computed elastic constants. From the analysis of the ratio of shear to bulk modulus, it is found that these intermetallic compounds are ductile in nature except CrPt_3, which is brittle. The calculated results are compared with other reported values.
2010-06-01
Electronic structure, Compton profiles and optical properties of TaC and TaN
International Nuclear Information System (INIS)
Isotropic Compton profiles of TaC and TaN have been measured for the first time, at an intermediate resolution, using 662 keV #gamma#-radiation. Energy bands, density of states and Fermi surface topology of TaC and TaN have been computed using linear combination of atomic orbitals with density functional theory and full potential linearised augmented plane wave method. Both band structure calculations predict the metallic character of TaC and TaN. The electron momentum densities calculated using various approaches of density functional theory are compared with the present measurements. On the basis of Mulliken's population, it is also seen that TaC has more covalent bonding than TaN. The optical properties computed using full potential linearised augmented plane wave method are explained in terms of intraband transitions.
2010-11-01
Bulk and surface electronic structure of hexagonal boron nitride
International Nuclear Information System (INIS)
Accurate full-potential self-consistent linearized augmented-plane-wave (FLAPW) calculations have been carried out for hexagonal boron nitride. The resulting energy-band structure indicates that this material is an indirect-gap insulator and shows the existence of two unoccupied interlayer bands, similar to those found in graphite and graphite intercalation compounds. Chemical bonding is mainly covalent, with a small charge transfer towards the nitrogen atoms. Moreover, model-potential calculations, based on first-principles FLAPW wave functions and potentials, have been used to study slabs of thickness up to 35 layers. Contrary to the case of graphite, our results do not provide evidence of surface states associated with the interlayer bands.
International Nuclear Information System (INIS)
A 20-MeV proton accelerator is developed by Proton Engineering Frontier Project (PEFP) at Korea Atomic Energy Research Institute (KAERI). The 20MeV accelerator consists of 50keV proton injector, 3MeV RFQ (Radio frequency Quadrupole), 20MeV DTL (Drift Tube Linac) and 20MeV beam line. The beam profile was measured at the end of the 20MeV beam line with wire scanner. Moreover the beam emittance was calculated from the quad scan method using beam line quadrupole magnets. In this paper, the beam profile measurement results are presented and the emittance measurement from the quad scan method is discussed
2010-10-01
Adsorption Kinetics of Surfactants at Fluid-Fluid Interfaces
We review a new theoretical approach to the kinetics of surfactant adsorption at fluid-fluid interfaces. It yields a more complete description of the kinetics both in the aqueous solution and at the interface, deriving all equations from a free-energy functional. It also provides a general method to calculate dynamic surface tensions. For non-ionic surfactants the results coincide with previous models. Common non-ionic surfactants are shown to undergo diffusion-limited adsorption, in agreement with experiments. Strong electrostatic interactions in salt-free ionic surfactant solutions are found to lead to kinetically limited adsorption. In this case the theory accounts for unusual experimental results which could not be understood using previous approaches. Added salt screens the electrostatic interactions and makes the ionic surfactant adsorption similar to the non-ionic case. The departure from the non-ionic behavior as the salt concentration ...
1997-01-01
A more detailed calculation of particle evaporation and fission of compound nuclei
Energy Technology Data Exchange (ETDEWEB)
We consider particle evaporation and fission of an ensemble of hot, rotating compound nuclei as a stochastic process. We derive a set of coupled differential equations formed by a Fokker-Planck equation describing fission, and master equations for calculating particle evaporation. From these equations, we are able to determine multiplicities of prefission neutrons, protons and {alpha}-particles, their energy spectra and their angular momentum distributions. A comparison of our results with experimental data provides us with information regarding the reduced friction coefficient {beta}, the fission barrier height and the level density parameter. For different iridium isotopes, ({sup 181,185,187}Ir), {sup 185}Os and {sup 158}Er, we obtain as an upper limit {beta}{<=}8.0x10{sup 21} s{sup -1}. (orig.).
1991-07-15
A more detailed calculation of particle evaporation and fission of compound nuclei
International Nuclear Information System (INIS)
We consider particle evaporation and fission of an ensemble of hot, rotating compound nuclei as a stochastic process. We derive a set of coupled differential equations formed by a Fokker-Planck equation describing fission, and master equations for calculating particle evaporation. From these equations, we are able to determine multiplicities of prefission neutrons, protons and #alpha#-particles, their energy spectra and their angular momentum distributions. A comparison of our results with experimental data provides us with information regarding the reduced friction coefficient #beta#, the fission barrier height and the level density parameter. For different iridium isotopes, ("1"8"1","1"8"5","1"8"7Ir), "1"8"5Os and "1"5"8Er, we obtain as an upper limit #beta##<=#8.0x10"2"1 s"-"1. (orig.).
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