WorldWideScience
1

Nuclear fuel behavior at an atomic scale: the contributions of the ab initio calculations and the synchrotron radiation; Comportement du combustible nucleaire a l'echelle atomique: les apports des calculs ab initio et du rayonnement synchrotron  

Energy Technology Data Exchange (ETDEWEB)

This paper presents fundamental researches based on the electronic structure calculations and X absorption spectroscopy, allowing the knowledge on nuclear fuels at an atomic scale. They bring a better understanding of these material behavior to accurate the macroscopic simulation. The calculation methods, the experimental techniques of validation and the ab initio calculations results are detailed. (A.L.B.)

2000-07-01

2

Ab initio molecular dynamics with born-oppenheimer and extended lagrangian methods using atom centered basis functions  

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

3

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

4

Prediction method abstracts  

Energy Technology Data Exchange (ETDEWEB)

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

1994-12-31

5

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

6

Structural transition metal chemistry  

CERN Document Server

This thesis is divided up into five chapters as outlined below. Chapter 1 gives the background to the techniques used in this thesis including X-ray structure determination and ab initio methods. An overview of some recent studies using ab initio methods to study transition metal complexes is also given. Chapter 2 investigates structural trans influence in a number of transition metal and p-block complexes. The database and ab initio studies showed that the classical trans influence model based on Pt(II) chemistry does not always hold. For some systems (eg. d sup 1 sup 0 s sup 0 for Sb sup V and Sn sup I sup V) the cis influence is of similar magnitude to the trans influence. For other systems (d sup 0), the trans influence is not as powerful as usually assumed. Chapter 3 is an investigation into the bridging chloride ...

2002-01-01

7

Magnetic properties of Ab initio model of iron-based superconductors LaFeAsO  

International Nuclear Information System (INIS)

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

2011-02-01

8

Ab initio study on pressure-induced change of effective Coulomb interaction in superconducting yttrium  

Science.gov (United States)

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

2010-01-01

9

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

10

A study of the reactions CH[sub 4] + OH [yields] CH[sub 3] + H[sub 2]O and C[sub 2]H[sub 6] + OH [yields] C[sub 2]H[sub 5] + H[sub 2]O by ab initio  

Energy Technology Data Exchange (ETDEWEB)

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

1999-04-01

11

Double proton migrations in dimeric methaboric, formic, cis-nitrous and nitric acids  

International Nuclear Information System (INIS)

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

12

The projector augmented wave method: A fast all-electron procedure for the ab-initio molecular dynamics  

International Nuclear Information System (INIS)

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

13

{ital Ab Initio} Pseudopotential calculations of dopant diffusion in Si  

Energy Technology Data Exchange (ETDEWEB)

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

1997-04-28

14

Theoretical study of the phonon properties of SrS  

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

2009-05-25

15

Ab initio Stellar Astrophysics: Reliable Modeling of Cool White Dwarf Atmospheres  

CERN Document Server

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

2010-01-01

16

Theoretical Calculation of Jet Fuel Thermochemistry  

Science.gov (United States)

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

2010-01-01

17

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 ...

18

Exploring the potential energy surface for proton transfer in acetylacetone  

Energy Technology Data Exchange (ETDEWEB)

The portion of the potential energy surface (PES) of acetylacetone relevant for the intramolecular proton transfer reaction is studied using ab initio and DFT methods. The best estimate of the barrier governing proton transfer was found to be 3.4 kcal mol{sup -1} at the MP4(FC)/6-311 + G(2d,2p)//MP2(FC)/6-311 + G(2d,2p) level of theory. Six stationary points on the PES were characterized as well as the reaction paths connecting these points. Special attention paid to the pathway of intramolecular proton transfer reveals that the internal rotation of the methyl group adjacent to the carbonyl group and the proton transfer reaction are consecutive processes.

2004-11-15

19

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

20

Electronic structures of luminescence centers in pure and defective scintillation crystals AWO4 (A = Pb, Cd, Zn)  

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)

21

Electronic structure of p-type (Ga,Fe)N diluted magnetic semiconductors  

Energy Technology Data Exchange (ETDEWEB)

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

2009-08-15

22

Electronic and spectral properties of adatoms on metals in electrostatic fields  

Energy Technology Data Exchange (ETDEWEB)

Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.

2002-11-15

25

Materials design for semiconductor spintronics by ab initio electronic-structure calculation  

International Nuclear Information System (INIS)

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

2003-04-01

26

Linking ab initio energetics to experiment: kinetic Monte Carlo simulation of transient enhanced diffusion of B in Si  

Energy Technology Data Exchange (ETDEWEB)

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

1998-12-16

27

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 3.7 kcal/mol, respectively. To investigate the properties of bulk materials, the ...

2005-09-27

28

Ab initio calculations of the electronic structure of the silver palladium oxide Ag_2PdO_2  

International Nuclear Information System (INIS)

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

2003-09-01

29

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 ...

2007-01-15

30

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.

31

Metallic and non-metallic properties of one-dimensional peanut-shaped fullerene polymers  

British Library Electronic Table of Contents (United Kingdom)

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

2011-01-01

32

Lattice relaxation around impurity atoms in semiconductors - arsenic in silicon - a comparison between experiment and theory  

International Nuclear Information System (INIS)

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

2003-01-01

33

Experimental and theoretical isotope shifts of strontium levels subject to very strong configuration mixing  

Energy Technology Data Exchange (ETDEWEB)

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

1984-05-14

34

Anisotropic magnetism in hybridizing uranium systems  

International Nuclear Information System (INIS)

The isostructural uranium monopnictides and monochalcogenides have become prototype systems in actinide research with respect to their unusual magnetic properties. We have investigated the origins in the electronic structure of the variation in magnetic behavior as the degree of 5f-electron localization changes from localized to itinerant on going up the pnictogen or chalcogen column, thus decreasing the U-U separation. We have applied a synthesis of: (1) A phenomenological theory of orbitally driven magnetic ordering which includes both the hybridization-induced and the RKKY exchange interactions on an equal footing, and (2) Ab initio electronic structure calculations, based on the linear-muffin-tin-orbital method, allowing a first-principles evaluation of the parameters entering the model Hamiltonian. We have investigated systematically characteristic trends and changes of the 5f-state resonance width, the hybridization ...

35

Ab initio and AIM studies on typical -type and pseudo--type halogen bonds: Comparison with hydrogen bonds  

British Library Electronic Table of Contents (United Kingdom)

Abstract Series of typical -type and pseudo--type halogen-bonded complexes BClY and BBrY and hydrogen-bonded complex BHY (B = C2H4, C2H2, and C3H6; Y = F, Cl, and Br) have been investigated using the MP2/aug-cc-pVDZ method. A striking parallelism was found in the geometries, vibrational frequencies, binding energies, and topological properties between BXY and BHY (X = Cl and Br). It has been found that the lengths of the weak bond d(X)/d(H), the frequencies of the weak bond (X)/(H), the frequency shifts (XY)/(HY), the electron densities at the bond critical point of the weak bonds c(X)/c(H), and the electron density changes c(XY)/c(HY) could be used as measures of the strengths of typical -type and pseudo--type halogen/hydrogen bonds. The typical -type and pseudo--type halogen bond and hyd...

2011-01-01

36

QSAR Studies of Copper Azamacrocycles and Thiosemicarbazones  

UK PubMed Central (United Kingdom)

Genetic algorithms (GA) were used to develop specific copper metal-ligand force field parameters for the MM3 force field, from a combination of crystallographic structures and ab initio...Full Text Available

2005-08-25

37

Mechanical Properties of Cellular Materials  

Energy Technology Data Exchange (ETDEWEB)

The authors calculated the stress-strain relation for elastomeric foam from an ab initio theory, which shows that the plateau and densification regions should be described by a hyperbola. The theory seems to agree reasonably well with experiment.

1999-07-09

38

Formation Energies of Antiphase Boundaries in GaAs and GaP: An ab Initio Study  

UK PubMed Central (United Kingdom)

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

39

An automated procedure for detecting protein folds from sub-nanometer resolution electron density  

UK PubMed Central (United Kingdom)

The use of sub-nanometer resolution electron density as spatial constraints for denovo and ab-initio structure prediction requires knowledge of protein boundaries...Full Text Available

2010-06-01

40

Noncollinear magnetism in surfaces and interfaces of transition metals  

Energy Technology Data Exchange (ETDEWEB)

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

2009-09-15

41

High-Resolution Infrared Spectra of Bicyclo[1.1.1]pentane  

Energy Technology Data Exchange (ETDEWEB)

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

2010-07-01

42

Electron-ion recombination of neutral iron  

Energy Technology Data Exchange (ETDEWEB)

The total and state-specific electron-ion recombination rate coefficients are obtained for FeI. The calculations are carried out using a new ab initio method that incorporates both the radiative and the dielectronic recombination processes in an unified and self-consistent manner. The computations employ the close coupling approximation and the R-matrix method from atomic collision theory. A 52 state close coupling eigenfunction expansion dominated by the states of the ground 3d{sup 6}4s and excited 3d{sup 7}, 3d{sup 6}4p, 3d{sup 5}4s{sup 2}, and 3d{sup 5}4s4p configurations of FeII are used in the present calculations. The important electron correlation and radiation damping effects are included via explicit coupling of autoionization and radiative channels. This is the first detailed atomic calculation for the recombination rates for FeI. The present rates are considerably higher than the radiative ...

1997-04-01

43

Ammonium azide: a commented example of an Ab initio structure (Re-) determination from X-ray powder diffraction  

Energy Technology Data Exchange (ETDEWEB)

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

2002-07-01

44

Ammonium azide: a commented example of an Ab initio structure (Re-) determination from X-ray powder diffraction  

International Nuclear Information System (INIS)

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

45

Ab initio-based approach on initial growth kinetics of GaN on GaN (001)  

British Library Electronic Table of Contents (United Kingdom)

We carried out theoretical analyses based on ab initio calculations that incorporate free energy of the vapor phase in order to determine the initial growth process of cubic GaN on GaN (001)-(4x1). The results suggest that a N-adsorbed structure appears at the initial growth stage and then Ga adsorbs on the N-adsorbed GaN (001)-(4x1) surface. Considering this process, we performed Monte Carlo simulations. The results suggest that the maximum point of Ga coverage after supplying a Formula Not Shown monolayer of atoms shifted toward a Ga-rich condition from V/III=1.0.

2007-01-01

46

Ab initio relativistic many-body calculation of hyperfine splitting of ^{113}Cd^+  

CERN Document Server

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

2007-01-01

47

Semiconductor-metal transition of pyrite FeS_2 under high pressure by full-potential linearized-augmented plane wave calculations  

International Nuclear Information System (INIS)

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

2006-10-11

48

Kinetic and mechanistic studies of the reactions of CF{sub 3}O radicals with NO and NO{sub 2}  

Energy Technology Data Exchange (ETDEWEB)

The reactions of CF{sub 3}O radicals with (1) NO and (2) NO{sub 2} were studied using two different experimental techniques. A laser photolysis/LIF detection method was applied for measuring the rate constants as a function of temperature (T=222-302 K) and total pressure (p{sub tot}=7-107 mbar). Whereas the reaction with (1) NO was found to be independent of temperature and pressure with k{sub 1}=(4.5{+-}1.2) x 10{sup -11} cm{sup 3}s{sup -1}, the reaction with (2) NO{sub 2} was found to be dependent on both of these variables. The temperature dependence of k{sub 2} in the high pressure limit can be given by the expression k{sub 2{infinity}}{sup -}(T)=(8{+-}5) x 10{sup -13} exp ((863{+-}194) K/T) cm{sup 3}s{sup -1}. The product distributions of the two reactions were determined in separate experiments using steady-state photolysis combined with FTIR spectroscopy. For reaction (1) only CF{sub 2}O was found as a reaction product with a yield of 0.93{+-}0.10, ...

1997-10-01

49

Adsorption and dissociation of water on the (0001) surface of double hexagonal close packed americium  

International Nuclear Information System (INIS)

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

2009-06-01

50

Ab initio study of lithium transition metal fluorophosphate cathodes for rechargeable batteries  

Energy Technology Data Exchange (ETDEWEB)

Density functional theory (DFT) calculations using plane-wave methods were performed for Li2TMPO4F, LiTMPO4F, and TMPO4F (TM=V, Mn, Fe, Co, Ni) to address their feasibility as high-voltage cathode materials for Li ion batteries. We computed their structures, average open circuit voltages, and thermal stabilities for step-wise lithiation/delithation (discharge/charge) reactions. The calculations suggest that associated unit cell volume changes are sufficiently small on average that they should not be a significant detriment to the mechanical stability of the cathode. In the nickel case, the calculated volume change deviates from the series by increasing during the first delithiation step. Furthermore, the volume increases for all these materials during the second delithiation step. It appears that the relative volume expansion in the series during delithiation is directly correlated to the degree of d-p rehybridization. Predicted average open circuit voltages ...

2011-08-18

51

A density functional study of atomic hydrogen and oxygen chemisorption on the relaxed (0001) surface of double hexagonal close packed americium  

International Nuclear Information System (INIS)

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

2008-02-01

52

Theory of chemical reaction dynamics. Volume 1  

Energy Technology Data Exchange (ETDEWEB)

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

1985-01-01

53

Theoretical studies of metal-phosphate interactions: interaction of Li+, Na+, K+, Be++, Mg++, and Ca++ with H2PO4- and (CH3O)2PO2-: implications for nucleic acid solvation.  

UK PubMed Central (United Kingdom)

Model phosphate-metal solvation complexes have been studied by ab-initio self-consistent-field techniques. The complexes studied include (RO)2PO2-(R = H or CH3) with Li+, Na+, K+, Be++, Mg++, Ca++,...Full Text Available

1975-10-01

54

Quantifying octahedral rotations in strained perovskite oxide films.  

Energy Technology Data Exchange (ETDEWEB)

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

2010-07-20

55

Large-Scale Computations Leading to a First-Principles Approach to Nuclear Structure  

Energy Technology Data Exchange (ETDEWEB)

We report on large-scale applications of the ab initio, no-core shell model with the primary goal of achieving an accurate description of nuclear structure from the fundamental inter-nucleon interactions. In particular, we show that realistic two-nucleon interactions are inadequate to describe the low-lying structure of {sup 10}B, and that realistic three-nucleon interactions are essential.

2003-08-18

56

Atomic interactions between plutonium and helium.  

Energy Technology Data Exchange (ETDEWEB)

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

2002-01-01

57

X-ray absorption spectroscopy, EELS, and full-potential augmented plane wave study of the electronic structure of Ti_2AlC, Ti_2AlN, Nb_2AlC, and (Ti_0_._5Nb_0_._5)_2AlC  

International Nuclear Information System (INIS)

The structural parameters of various Haegg phases (H or M_n_+_1AX_n phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti_0_._5Nb_0_._5)_2AlC, the most salient result is that the basal planes are corrugated, which could explain the solid ...

2005-01-01

58

Steady-state Ab Initio Laser Theory: Generalizations and Analytic Results  

CERN Document Server

We improve the steady-state ab initio laser theory (SALT) of Tureci et al. by expressing its fundamental self-consistent equation in a basis set of threshold constant flux states that contains the exact threshold lasing mode. For cavities with non-uniform index and/or non-uniform gain, the new basis set allows the steady-state lasing properties to be computed with much greater efficiency. This formulation of the SALT can be solved in the single-pole approximation, which gives the intensities and thresholds, including the effects of nonlinear hole-burning interactions to all orders, with negligible computational effort. The approximation yields a number of analytic predictions, including a "gain-clamping" transition at which strong modal interactions suppress all higher modes. We show that the single-pole approximation agrees well with exact SALT calculations, particularly for high-Q cavities. Within this range of validity, it provides an ...

2010-01-01

59

Protostar Formation in the Early Universe  

CERN Document Server

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

2008-01-01

60

Metallic behavior of Pd atomic clusters  

Energy Technology Data Exchange (ETDEWEB)

We report a study of the nonmetal-metal transition of free-standing Pd{sub N} clusters (2{<=}N{<=}21) carried out through two different theoretical approaches that are extensively employed in electronic structure calculations: a semi-empirical tight-binding (TB) model and an ab initio DFT pseudopotential model. The calculated critical size for the metallic transition decreases rapidly with the temperature and an oscillatory dependence with the cluster size is obtained, particularly in the DFT approach. The TB model describes the metallic behavior for cluster sizes beyond N{approx}12 well. Our obtained critical size at room temperature is of the order of the experimental estimation.

2007-09-12

61

Fe clusters on Ni and Cu: size and shape dependence of the spin moment  

Energy Technology Data Exchange (ETDEWEB)

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

2006-01-01

62

Elastic constants and volume changes associated with two high-pressure rhombohedral phase transformations in vanadium  

Energy Technology Data Exchange (ETDEWEB)

We present results from ab-initio electronic-structure calculations of mechanical properties of the rhombohedral phase of vanadium reported in recent experiments (R Ia), and other predicted high-pressure phases (R Ib and bcc), focusing on properties relevant to dynamic experiments. We find that of the three transitions the largest volume collapse (1.3%) is for the R Ia to R Ib transition. Calculations of the single crystal and polycrystal elastic constants reveal a remarkably small discontinuity across the phase transitions even at zero temperature where the transitions are first order.

2007-10-16

63

Thermoelectric properties of ZnO nanowires: A first principle research  

British Library Electronic Table of Contents (United Kingdom)

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

2011-01-01

64

The fraction of substitutional boron in silicon during ion implantation and thermal annealing  

Energy Technology Data Exchange (ETDEWEB)

We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from {ital ab initio} calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800{degree}C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. {copyright} {ital 1998 American Institute of Physics.}

1998-05-01

65

The fraction of substitutional boron in silicon during ion implantation and thermal annealing  

International Nuclear Information System (INIS)

We present results from a kinetic Monte Carlo simulation of boron transient enhanced diffusion (TED) in silicon. Our approach avoids the use of phenomenological fits to experimental data by using a complete and self-consistent set of values for defect and dopant energetics derived mostly from ab initio calculations. The results predict that, during annealing of 40 keV B-implanted Si at 800 degree C, there exists a time window during which all the implanted boron atoms are substitutional. At earlier or later times, the interactions between free silicon self-interstitials and boron atoms drive the growth of boron clusters and result in an inactive boron fraction. The results show that the majority of boron TED takes place during the growth period of interstitial clusters and not during their dissolution. copyright 1998 American Institute of Physics.

1998-05-01

66

Disordered bcc γ-phase to δ-phase transformation in Zr-rich U-Zr alloy  

British Library Electronic Table of Contents (United Kingdom)

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

2011-01-01

67

A Computer Simulation of the Electronic Structure of Leucine in Aqueous Solution  

British Library Electronic Table of Contents (United Kingdom)

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

2011-01-01

68

CASSCF and CASPT2 ab initio electronic structure calculations find singlet methylnitrene is an energy minimum  

Energy Technology Data Exchange (ETDEWEB)

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

2000-02-16

69

Theoretical study of asymmetric molecular-frame photoelectron angular distributions for C 1s photoejection from CO2  

Energy Technology Data Exchange (ETDEWEB)

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

2009-02-18

70

Theoretical approach to initial growth kinetics of GaN on GaN(001)  

British Library Electronic Table of Contents (United Kingdom)

We carried out theoretical analyses based on ab initio calculations incorporates in which free energy of the vapor phase is incorporated in order to determine the initial growth kinetics of c-GaN on GaN(001)-(4x1). The feasibility of the theoretical approach had been confirmed by calculations of Ga adsorption-desorption transition temperature and transition beam equivalent pressures on the GaAs(001)-(4x2)b2 surface in our previous work [Y. Kangawa, T. Ito, A. Taguchi, K. Shiraishi, T. Ohachi, Surf. Sci. 493 (2001) 178]. The results of calculations suggest that no Ga adsorption occurs on the initial surface under typical growth conditions but that a Ga adsorption site appears after N adsorption on GaN(001)-(4x1). That is, in the initial growth stage of c-GaN on GaN(001)-(4x1), a N-adsorbed ...

2007-01-01

71

Modelling fragmentations of amino-acids after resonant electron attachment: quantum evidence of possible direct -OH detachment  

International Nuclear Information System (INIS)

We investigate some aspects of the radiation damage mechanisms in biomolecules, focusing on the modelling of resonant fragmentation caused by the attachment of low-energy electrons (LEEs) initially ejected by biological tissues when exposed to ionizing radiation. Scattering equations are formulated within a symmetry-adapted, single-center expansion of both continuum and bound electrons, and the interaction forces are obtained from a combination of ab initio calculations and a nonempirical model of exchange and correlation effects developed in our group. We present total elastic scattering cross-sections and resonance features obtained for the equilibrium geometries of glycine, alanine, proline and valine. Our results at those geometries of the target molecules are briefly shown to qualitatively explain some of the fragmentation patterns obtained in experiments. We further carry out a one-dimensional (1D) modeling for the dynamics of ...

2010-10-01

72

Mechanisms of radical removal by SO2  

DEFF Research Database (Denmark)

It is well established from experiments in premixed, laminar flames, jet-stirred reactors, flow reactors, and batch reactors that SO2 acts to catalyze hydrogen atom removal at stoichiometric and reducing conditions. However, the commonly accepted mechanism for radical removal, SO2 + H(+M) reversible arrow HOSO(+M), HOSO + H/OH reversible arrow SO2 + H-2/H2O, has been challenged by recent theoretical and experimental results. Based on ab initio calculations for key reactions, we update the kinetic model for this chemistry and re-examine the mechanism of fuel/SO2 interactions. We find that the interaction of SO, with the radical pool is more complex than previously assumed, involving HOSO and SO, as well as, at high temperatures also HSO, SH, and S. The revised mechanism with a high rate constant for H + SO2 recombination and with SO + H2O, rather than SO2 + H-2, as major products of the HOSO + H reaction is in agreement with a range of ...

2007-01-01

73

In vitro and QSAR studies of cucurbitacins on HepG2 and HSC-T6 liver cell lines  

British Library Electronic Table of Contents (United Kingdom)

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

2011-01-01

74

IR double-resonance spectroscopy applied to the 4-aminophenol(H{sub 2}O){sub 1} cluster  

Energy Technology Data Exchange (ETDEWEB)

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

2001-03-01

75

Hydrogen isotope effects in hydride transfer reactions of formaldehyde and glyoxal  

International Nuclear Information System (INIS)

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

1987-04-01

76

First-principles calculations of the stability and local structure of #alpha#-sialon ceramics on the line Si_3N_4- 1/2 Ca_3N_2:3AlN  

International Nuclear Information System (INIS)

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

2004-04-28

77

Ab initio simulations of accretion disks instability  

CERN Document Server

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

2003-01-01

78

AP Theory IV: Intrinsic Topological Quantum Langlands Theory  

CERN Document Server

Without using any moduli, sheaves, stacks, nor any analytic, nor category-type arguments, we exhibit an analogue to Geometric Langlands Theory in an entirely model-independent, non-perturbative,purely smooth topological context in Artin Presentation Theory. A basic initial feature is that AP Theory, as a whole, is already, ab initio, a universal canonical 2D sigma-model, targeting smooth, compact, simply-connected 4-manifolds with a connected boundary, and its topological Planckian quantum starting point, as well as its cone-like, infinitely-generated at each stage, graded group of homology-preserving, but topology-changing transitions/interactions, exhibit the most general qualitative S-duality. We first point out the numerous mathematically rigorous, model-free, (i.e., intrinsic), topological AP analogues with the heuristic Kapustin-Witten version of Geometric Langlands theory, as well as the crucial differences between the two theories. The ...

2010-01-01

79

Water structure as a function of temperature from X-ray scatteringexperiments and ab initio molecular dynamics  

Energy Technology Data Exchange (ETDEWEB)

We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. ...

2003-03-01

80

THE EFFECT OF INTERSTITIAL N ON GRAIN BOUNDARY COHESIVE STRENGTH IN Fe  

Energy Technology Data Exchange (ETDEWEB)

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

2003-09-22

81

Products of the Benzene + O(3P) Reaction  

Science.gov (United States)

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

2009-12-21

82

Paramagnetic susceptibility simulations from crystal field effects on Nd{sup 3+} in magnesium borate MgNd(BO{sub 2}){sub 5}  

Energy Technology Data Exchange (ETDEWEB)

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

1999-01-01

83

Energy gap and bond lengths of Al_xGa_yIn_1_-_x_-_yN, Al_xGa_yIn_1_-_x_-_yP and Al_xGa_yIn_1_-_x_-_yAs quaternary alloys  

International Nuclear Information System (INIS)

We use the Generalized Quasi-Chemical Approach (GQCA) combined with ab initio ultrasoft pseudopotential calculations within density functional theory in order to obtain the structural and electronic properties of Al_xGa_yIn_1_-_x_-_yX (X=As, P or N) quaternary alloys in the zincblende structure. Results for the bond lengths show that their variations with composition are approximately linear and that they do not deviate much from the values of the corresponding binary compounds. For the variation of the band gaps, we obtain a bowing parameter b=0.26 eV for the (Ga_0_._4_7In_0_._5_3As)_z(Al_0_._4_8In_0_._5_2As)_1_-_z quaternary alloy lattice matched to InP, in very good agreement with experimental data. In the case of AlGaInN, a bowing parameter of 0.22 eV is obtained for zincblende AlGaInN lattice matched to GaN. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

84

Electronic and geometric structure of transition-metal nanoclusters  

Energy Technology Data Exchange (ETDEWEB)

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

1996-08-01

85

Uranium and thorium based phosphate matrix: synthesis, characterizations and lixiviation; Matrices a base de phosphate d'uranium et de thorium: syntheses, caracterisations et lixiviation  

Energy Technology Data Exchange (ETDEWEB)

In the framework of the search for a ceramic material usable in the radioactive waste storage, uranium and thorium phosphates have been investigated. Their experimental synthesis conditions have been entirely reviewed, they lead to the preparation of four new compounds: U(UO{sub 2})(PO{sub 4}){sub 2}, U{sub 2}O(PO{sub 4}){sub 2}, UCIPO{sub 4}, 4H{sub 2}O, and Th{sub 4}(PO{sub 4}){sub 4}P{sub 2}O{sub 7}. Experimental evidenced are advanced for non existent compounds such as: U{sub 3}(PO{sub 4}){sub 4}, U{sub 2}O{sub 3}P{sub 2}O{sub 7} and Th{sub 3} (PO{sub 4}){sub 4}. Characterization by several techniques (X-rays and neutron powder diffractions, UV-Visible and Infra-red spectroscopies, XPS,...) were performed. The ab initio structure determination of U(UO{sub 2})(PO{sub 4}){sub 2} has been achieved by X-rays and refined by neutron diffractions. Through its physico-chemical analysis, we found that this compound was a new mixed valence uranium ...

1995-03-01

86

Some remarks on the coherent-state variational approach to nonlinear boson models  

CERN Document Server

The mean-field pictures based on the standard time-dependent variational approach have widely been used in the study of nonlinear many-boson systems such as the Bose-Hubbard model. The mean-field schemes relevant to Gutzwiller-like trial states $|F>$, number-preserving states $|\\xi >$ and Glauber-like trial states $|Z>$ are compared to evidence the specific properties of such schemes. After deriving the Hamiltonian picture relevant to $|Z>$ from that based on $|F>$, the latter is shown to exhibit a Poisson algebra equipped with a Weyl-Heisenberg subalgebra which preludes to the $|Z>$-based picture. Then states $|Z>$ are shown to be a superposition of $\\cal N$-boson states $|\\xi>$ and the similarities/differences of the $|Z>$-based and $|\\xi>$-based pictures are discussed. Finally, after proving that the simple, symmetric state $|\\xi>$ indeed corresponds to a SU(M) coherent state, a dual version of states $|Z>$ and ...

2008-01-01

87

Spectroscopic studies on weak intermolecular interactions of fluoranthene derivatives with benzene or ethanol in cyclohexane  

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

88

Neutrosphic methods in general relativity  

CERN Document Server

Neutrosphic methods in general relativity

2005-01-01

89

Modern Formal Methods and Applications  

CERN Document Server

Modern Formal Methods and Applications

2006-01-01

93

METHOD FOR HYDROLYSIS WITH LIPASE  

J-STORE (Japan)

Full Text Available

2005-09-21

95
97

Methods and Procedures for the Verification and Validation of Artificial Neural Networks  

CERN Document Server

Methods and Procedures for the Verification and Validation of Artificial Neural Networks

2006-01-01

102

Exposure estimation of personnel around patients after radionuclide therapy by Monte Carlo method and integration method  

International Nuclear Information System (INIS)

Objective: To estimate exposure dose of personnel around patients by Monte Carlo method and integration method. Methods: Exposures were estimated by a Monte Carlo practical program with Visual Basic 6.0 and integration method using 'pen-and-paper'. Results: Exposures for rectangle and ellipse sources were calculated. The difference between different methods for various sources were 0.88% and 0.61%, respectively. Conclusion: The results estimated by Monte Carlo method are close to those of integration method. It is illustrated that doses of other people estimated by Monte Carlo method are significant

2001-08-01

103

Determination methods of alpha activity ratio  

International Nuclear Information System (INIS)

The three determination methods of alpha activity ration are described, namely geometric progression method, extrapolation method and curve fitting method. The validity of the geometric progression method is demonstrated in the present work. The "2"3"8Pu/("2"3"9Pu + "2"4"0Pu) evaluated by extrapolation method is compared with that by geometric progression method. Also, the "2"3"8Pu/("2"3"9Pu + "2"4"0Pu)evaluated by curve fitting method is compared with that by geometric progression.

104

Measurement methods for human exposure analysis.  

UK PubMed Central (United Kingdom)

The general methods used to complete measurements of human exposures are identified and illustrations are provided for the cases of indirect and direct methods used for exposure analysis. The application...Full Text Available

1995-04-01

105

Extraction methods of phase information for X-ray diffraction enhanced imaging  

Energy Technology Data Exchange (ETDEWEB)

X-ray diffraction enhanced imaging (DEI) is one of X-ray phase-contrast imaging methods, which is applied to inspect internal structures of weakly absorbing low-Z samples. The key problem of the DEI is how to extract phase information which is expressed by refraction-angle images from a series of DEI images measured in different positions of the rocking curve of the analyzer. Three effective extraction methods are presented in this paper: the statistical geometric-optics-approximation method, the maximum refraction-angle method and the Gaussian curve fitting method. They are compared with the existing methods, such as the D. Chapman's geometric optics approximation method and the multiple-images statistical method. A 2D computer simulation experiment is performed to draw comparisons of these ...

2007-08-21

106

Extraction methods of phase information for X-ray diffraction enhanced imaging  

International Nuclear Information System (INIS)

X-ray diffraction enhanced imaging (DEI) is one of X-ray phase-contrast imaging methods, which is applied to inspect internal structures of weakly absorbing low-Z samples. The key problem of the DEI is how to extract phase information which is expressed by refraction-angle images from a series of DEI images measured in different positions of the rocking curve of the analyzer. Three effective extraction methods are presented in this paper: the statistical geometric-optics-approximation method, the maximum refraction-angle method and the Gaussian curve fitting method. They are compared with the existing methods, such as the D. Chapman's geometric optics approximation method and the multiple-images statistical method. A 2D computer simulation experiment is performed to draw comparisons of these methods. ...

2007-08-21

107

Database Creation for Information Processing Methods ...  

Science.gov (United States)

Page 1. Database Creation for Information Processing Methods, ... ARL-TN-0348 May 2009 Database Creation for Information Processing Methods, ...

2009-05-01

108

Advances in Statistical Methods for Substance Abuse Prevention Research  

UK PubMed Central (United Kingdom)

The paper describes advances in statistical methods for prevention research with a particular focus on substance abuse prevention. Standard analysis methods are extended to the typical research...Full Text Available

2003-09-01

110
116

METHOD OF FORMING THIN MAGNETIC FILM  

J-STORE (Japan)

Full Text Available

2007-10-04

117
131

Utilization of nonlinear programming techniques in problems of complex systems  

Energy Technology Data Exchange (ETDEWEB)

Optimization methods are applied to complex problems power systems, economics, and geodesy. Transformation methods and conjugated gradient methods are used to solve the constrained problems in power systems and economics. Conjugated gradient methods are used to solve the unconstrained geodesy problem. Broad applications of the transformation methods are emphasized. In the geodesy problem, the computational efficiency of the Fletcher-Reeves method for optimization of quadratic functions is emphasized. In this problem special storage schemes were used. The method of solution of the economics problem is compared with Beale's method.

1981-01-01

132

Method of Making Combustible Cartridge Cases.  

Science.gov (United States)

... Accession Number : ADD001026. Title : Method of Making Combustible Cartridge Cases. Descriptive Note : Patent,. Corporate ...

1966-11-01

136

Combustible Cartridge Case and Method of Making Same.  

Science.gov (United States)

... Pagination or Media Count : 4. Abstract : The invention relates to combustible cartridge cases and to a method of making same. ...

1961-05-02

138

Advanced phosphors  

Energy Technology Data Exchange (ETDEWEB)

This invention relates to new phosphor materials and to combinatorial methods of synthesizing and detecting the same. In addition, methods of using phosphors to generate luminescence are also disclosed.

2000-01-01

139

Adaptive System and Method for Responding to Computer ...  

Science.gov (United States)

Page 1. Adaptive system and method for responding to computer network security attacks Abstract A dynamic network security ...

2002-07-11

140

A Study on the Power System Stabilizer Design using Object-Oriented Method  

Energy Technology Data Exchange (ETDEWEB)

In this paper, we have designed power system stabilizer (PSS) using object-oriented method. There are several types of power system stabilizer, A proportional-integral (PI) controller is very simple for practical implementation. Therefore it has been widely employed by the industry. The methods of obtaining the gains (Ki,Kp) of PI controller are root-locus method and sub-optimal regulator approach. But these methods are cannot be applicable to nonlinear system and faulted power system. So we proposed a new method which can be applied to nonlinear system by numerical analysis method. The method of dynamic system simulation by numerical method is very difficult and complex. We proposed flexible simulation method for complex power system analysis using object-oriented programming (OOP) and applied to PI ...

1999-06-01

141

Power cables: methods of defects localization; Cables d'energie: methodes de localisation des defauts  

Energy Technology Data Exchange (ETDEWEB)

The defects localization in power cables follows several steps: identification, pre-localization and precise localization. Pre-localization methods, other than echo-metry, are presented first: bridge methods, particular case of low voltage networks, future perspectives. Then, the precise localization methods are described: magneto-acoustic method, audible frequencies method. The particular case of underwater and high-voltage cables is considered too (oil and gas leaks detection). (J.S.)

2006-08-15

142

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.

143

The kernel polynomial method for non-orthogonal electronic structure calculations  

Energy Technology Data Exchange (ETDEWEB)

The Kernel Polynomial Method (KPM) has been successfully applied to tight-binding electronic structure calculations as an O(N) method. Here the authors extend this method to nonorthogonal basis sets with a sparse overlap matrix S and a sparse Hamiltonian H. Since the KPM method utilizes matrix vector multiplications it is necessary to apply S{sup {minus}1}H onto a vector. The multiplication of S{sup {minus}1} is performed using a preconditioned conjugate gradient method and does not involve the explicit inversion of S. Hence the method scales the same way as the original KPM method, i.e. O(N), although there is an overhead due to the additional conjugate gradient part. The authors show an application of this method to defects in a titanate/platinum interface and to a large scale electronic structure calculation of ...

1996-11-01

144

The method of medians in the problem of ranking interval objects specified by three points  

British Library Electronic Table of Contents (United Kingdom)

A method for ranking interval objects is proposed and analyzed; the characteristics of those objects are represented by pessimistic, optimistic, and most probable estimates. The method is based on the approximation of the binary probability preference relation by the binary median preference relation. The method is verified using statistical modeling (the Monte Carlo method). The proposed approach can be used for ranking nonreusable and reusable objects.

2011-01-01

145

Leak location in fluid filled cables using the PFT method  

Energy Technology Data Exchange (ETDEWEB)

A new method of pinpointing dielectric fluid leaks on pipe-type and self-contained cables using perfluorocarbon tracer (PFT) is presented. The method has successfully been used on the Con Edison transmission system to locate leaks of dielectric fluid on both types of cables. Application of the PFT technique does not require feeder deenergization and provides major advantages over the conventional method of freeze and pressure testing. Description of the method and results of field application are presented in the paper.

1999-01-01

146

Usual Energy Intake from Saturated Fat  

Science.gov (United States)

Skip to Content Cancer Control and Population Sciences Home Applied Research Home Risk Factor Monitoring and Methods Home Diet Usual Dietary Intakes: Background The NCI Method Details of the NCI Method Food Intakes, US Population, 2001-04 Selected Intakes

147

Usual Energy Intake from Monounsaturated Fat  

Science.gov (United States)

Skip to Content Cancer Control and Population Sciences Home Applied Research Home Risk Factor Monitoring and Methods Home Diet Usual Dietary Intakes: Background The NCI Method Details of the NCI Method Food Intakes, US Population, 2001-04 Selected Intakes

148

Negative dimensional integration method and massive Feynman diagrams  

Energy Technology Data Exchange (ETDEWEB)

A constructive method is proposed to solve a class of massive Feynman integrals within the Negative Dimensional Integration Method. The results are compared with the ones given by known positive D models and expressed in terms of dimensionally and analytically regularized integrals 3 refs.

1997-12-31

149

Improved Susceptibility Disk Assay Method Employing an Agar Overlay Technique  

UK PubMed Central (United Kingdom)

Susceptibility disks impregnated with 35 different antibiotics were assayed by the current Code of Federal Regulations method and by a new method employing an agar overlay. The new...Full Text Available

1978-11-01

150

Determination of heptacaine hydrochloride in solution using nuclear analytical methods  

Energy Technology Data Exchange (ETDEWEB)

The applicability of two nuclear analytical methods: radionuclide X-ray fluorescence analysis and radiometric titrations based on precipitate formations was studied in order to determine the heptacaine hydrochloride in solutions. The applied methods were evaluated based on the obtained sensitivity values.

1984-01-20

151

Determination of heptacaine hydrochloride in solution using nuclear analytical methods  

International Nuclear Information System (INIS)

The applicability of two nuclear analytical methods: radionuclide X-ray fluorescence analysis and radiometric titrations based on precipitate formations was studied in order to determine the heptacaine hydrochloride in solutions. The applied methods were evaluated based on the obtained sensitivity values. (author).

1984-01-01

152

Determination of Adenosine Triphosphate on Marine Particulates:Synthesis of Methods for Use on OTEC Samples  

Energy Technology Data Exchange (ETDEWEB)

Adenosine triphosphate (ATP) is an indicator of living biomass in marine particulates. This report details the method used by Lawrence Berkeley Laboratory to analyze particulate ATP in samples taken from oligotrophic, tropical ocean waters. It represents a synthesis of previously published methods.

1982-08-01

153

Artificial neural network alarm method based on signal time-frequency characteristics  

International Nuclear Information System (INIS)

On the problem of alarm when parts are falling in nuclear power plant, the artificial neural network (ANN) alarm method based on the signal time-frequency characteristics was developed. The method was realized by the improved BP algorithm, and demonstrated with the data from simulation experiments

1998-06-01

154

Acidizing subterranean well formations containing deposits of metal compounds  

Science.gov (United States)

Methods of acidizing a subterranean well formation, acidizing compositions, and sequestering additives for preventing the precipitation of metal compounds in the formation are described. Use of the methods and chemicals described should lead to improved formation permeability as compared to use of previous methods and chemicals. 12 claims.

1979-04-24

155

[SIAM conference on optimization  

Energy Technology Data Exchange (ETDEWEB)

Abstracts are presented of 63 papers on the following topics: large-scale optimization, interior-point methods, algorithms for optimization, problems in control, network optimization methods, and parallel algorithms for optimization problems.

1992-05-10

156

Simultaneous Spectrophotometric Estimation of Imipramine Hydrochloride and Chlordiazepoxide in Tablets  

UK PubMed Central (United Kingdom)

A binary mixture of imipramine HCl and chlordiazepoxide was determined by three different spectrophotometric methods. The first method involved determination of imipramine HCl and chlordiazepoxide using...Full Text Available

2009-07-01

157

Reproducibility of the Radiant Panel Test Method (ASTM E ...  

Science.gov (United States)

... Abstract : Interlaboratory evaluation of the Radiant Panel Method (ASTM E 162-67) for flame spread testing of two flexible foam and one hardboard ...

1977-03-01

158

REVIEW OF EXPLOSIVE (CHEMICAL) FORMING  

Science.gov (United States)

... explosive (shotgun shells, etc.) method of forming is being replaced--for the most part--by the electri- cal discharge and magnetic forming methods. ...

1965-04-01

159

Polynomial curve fitting method for refraction-angle extraction in diffraction enhanced imaging  

International Nuclear Information System (INIS)

X-ray diffraction enhanced imaging (DEI) is applied to inspect internal structures of weakly absorbing low-Z sample. How to extract phase information from raw images measured in different positions of rocking curve is the key problem of DEI. In this paper, we present an effective extraction method called polynomial curve fitting method, in order to extract accurate information angular in a fast speed. It is com- pared with the existing methods such as multiple-images statistical method and Gaussian curve fitting method. The experiments results on a plastic cylinder and a black ant at the Beijing Synchrotron Radiation Facility prove that the polynomial curve fitting method can obtain most approximate refraction-angle values and its computation speed is 10 times faster than the Gaussian curve fitting method. (authors)

2009-11-01

160

Methods in DNA methylation profiling  

UK PubMed Central (United Kingdom)

Metastable and somatically heritable patterns of DNA methylation provide an important level of genomic regulation. In this article, we review methods for analyzing these genome-wide epigenetic...Full Text Available

2009-12-01

161

Method of purifying a gas mixture containing undesirable gas compounds  

Energy Technology Data Exchange (ETDEWEB)

The invention relates to a method for purifying a gas mixture containing at least one undesirable gas compound utilizing certain sulfonamide or sulfamide solvents.

1985-03-12

162

Method for preparing thermally cleavable surfactants without deprotonation  

Energy Technology Data Exchange (ETDEWEB)

The present invention describes surfactants of formula (I), ##STR00001## wherein R, R.sub.N, and m are defined herein, processes for their preparation, and methods for their decomposition.

2008-05-27

163

Gamma-absorption identification of substance  

International Nuclear Information System (INIS)

The possibility of gamma-absorption identification of the analyzed substance is considered. the basic provisions of the proposed method are concentrated on the example of carbohydrates and hydrocarbons. The above method is tested experimentally on polyethylenes and polystyrene

164

Fuel conversion apparatus and method  

Energy Technology Data Exchange (ETDEWEB)

Apparatus and method are described for the vaporization of liquid fuel oils to produce a gaseous mixture suitable for burning in a burner normally designed for operation utilizing natural gas.

1981-11-24

165

Dynamic clamp with StdpC software  

UK PubMed Central (United Kingdom)

Dynamic clamp is a powerful method that allows the introduction of artificial electrical components into target cells to simulate ionic conductances and synaptic inputs. This method is based...Full Text Available

2011-03-01

166

CONSTRAINTS TO CRASSOSTREA ARIAKENSIS AQUACULTURE: SEASON AND METHOD OF CULTURE STRONGLY INFLUENCE SUCCESS OF GROW-OUT  

Science.gov (United States)

... of culture season and method on benefits of oyster aquaculture may be obtained without appreciable risk of unplanned ... ...

167

Slope stability and stabilization methods  

Energy Technology Data Exchange (ETDEWEB)

Slope stability can be a major problem during the construction of surface facilities. Cutting into existing ground disturbs the mechanics of the surrounding area, which can result in landslides and rock falls. This practical reference gives you the comprehensive information you need for slope stability analysis, suitable methods of analysis with and without the use of computers, and examples of common stability problems and stabilization methods for cuts and fills. It includes detailed discussions of methods used in slope stability analysis, including the Ordinary Method of Slices, Simplified Janbu Method, Simplified Bishop Method, Spencer`s Method, other limit equilibrium methods, numerical methods, total stress analysis, effective stress analysis, and the use of computer programs to solve problems. ...

1995-12-01

168

XRF and PIXE method as trols for the element analysis of metallic glasses  

International Nuclear Information System (INIS)

The radionuclide X-ray fluorescence and particle induced X-ray emission methods were used for rapid and nondestructive analysis of metallic glasses. The methods were compared for accuracy and precision with the atomic absorption method. Some results of the analyses of Fe_xNi_8_0_-_xB_2_0 materials are briefly reviewed. The distribution of elements along the width as well as the length and a qualitative analysis of the composition of material surfaces are considered. (author).

1986-01-01

170

The sizing and passage arrangement of multistream plate-fin heat exchangers  

Energy Technology Data Exchange (ETDEWEB)

A simple and effective method is presented for the sizing and passage apportionment of multistream plate-fin heat exchangers. Methods for passage arrangement are discussed, and it is shown that a symmetric or mixed passage arrangement is more efficient than a segregated arrangement. A method for assessing the relative merits of various passage arrangements is presented. The use of the methods is illustrated through a worked example.

1996-07-01

171

The results of investigations in connection with development of methods for integrated optimization of fast reactors parameters  

International Nuclear Information System (INIS)

The results for development of methods and computer programs for integrated optimization of parameters of perspective fast reactors are given. The possibilities of the program for the reactor campaign calculation are analysed. This program is based on utilisation of the Bubnov-Galerkin method and Wigner disturbance theory. The possibility of application of approximation methods for the optimization researches is discussed. The results of development of the programs for complex reactor computations with account of control rods system and change of physical parameters in the reactor campaign are discussed. (author).

1974-07-01

177

Some tests on measuring methods for indoor radon using activated charcoal  

Energy Technology Data Exchange (ETDEWEB)

Two methods for measuring indoor radon concentrations using activated charcoal have been tested. The first method is the well-known technique with direct gamma-measurements on the exposed canister after the sampling period. The other method uses a thermoluminescence dosemeter placed in the charcoal canister, giving an integrated value of the radon concentration.

1985-10-01

178

Solvent extraction studies using tetracycline as a complexing agent. Pt. 12. Determination of stability constants for the complexes of uranium and tetracycline  

Energy Technology Data Exchange (ETDEWEB)

Stability constants for uranium-tetracycline complexes were determined by the method of average number of ligands, the method of limiting values, the method of two parameters and the method of weighted least squares. Solvent extraction technique was used to obtain experimental data. (author). 10 refs.; 5 figs.

1985-09-01

179

Simultaneous ultraviolet spectrophotometric determination of nitrate and nitrite in water  

Energy Technology Data Exchange (ETDEWEB)

A rapid and accurate method for the direct simultaneous determination of nitrate and nitrite is proposed. The method is applied to the determination of nitrate and nitrite in rainwater and wastewater without preliminary separation. The determinations are performed by a CPA matrix method with ultraviolet spectrophotometric detection. The results obtained are in agreement with those obtained by conventional methods for the determination of nitrate and nitrite.

1991-02-01

183

SIMPLIFIED METHODS FOR COMMUNICATING ...  

Science.gov (United States)

... COMBINATION WHICH DISCUSSES AND ILLUSTRATES THE CONSTRUCTION OF AN EXPLODING BRIDGEWIRE ELECTRO-EXPLOSIVE ...

1968-10-01

186

Pyrheliometry  

Energy Technology Data Exchange (ETDEWEB)

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

1981-01-01

190

Obtainment of lanthanum oxide by fractionated precipitation method  

International Nuclear Information System (INIS)

... ammonium compounds benzilic acid chemical preparation lanthanum oxides

1979-01-01

191

Numerical methods for matrix computations using arrays of processors. Final report, 15 August 1983-15 October 1986  

Energy Technology Data Exchange (ETDEWEB)

The basic objective of this project was to consider a large class of matrix computations with particular emphasis on algorithms that can be implemented on arrays of processors. In particular, methods useful for sparse matrix computations were investigated. These computations arise in a variety of applications such as the solution of partial differential equations by multigrid methods and in the fitting of geodetic data. Some of the methods developed have already found their use on some of the newly developed architectures.

1987-04-30

193

Non-destructive Inspection of Surfaces  

International Science & Technology Center (ISTC)

Highly Precision Method for Nondestructive Analysis of Surfaces in a Subnanometer Depth Range

194

Molybdenum Alloys Optimal Structure  

International Science & Technology Center (ISTC)

Determination of Special Molybdenum Alloys Optimal Structure Using the Cybernetic Method

195

Methods of reducing magnetic field near the transmission lines  

International Nuclear Information System (INIS)

Due to biological effects of magnetic fields of high voltage transmission lines and induced effects on has pipe line, telecommunication system and interference with sensitive electronic equipment, many effort have been done to reduce transmission lines magnetic fields and several ideas have been introduced. In this paper we review three methods: phase split, shielded and compacted line methods. With aid of a developed software programme these methods are then applied to transmission lines and the results are analyzed.

2003-01-01

196

Methods for producing liquid hydrocarbons from coal  

Energy Technology Data Exchange (ETDEWEB)

Reported on here are studies of various methods for liquefying coal. Hydropyrolysis as an alternative method for producing liquid hydrocarbons and a carbon enriched char is discussed. Other methods described involve supercritical gas extraction of coal and use of natural gas as a hydrogenating agent. Relevant waste water treatments are discussed as well. 65 refs., 9 figs.

1990-01-01

198

Method for detecting and diagnosing disease caused by pathological protein aggregation  

Energy Technology Data Exchange (ETDEWEB)

A method is provided for detecting pathological macromolecules in a patient. The method is comprised of the following: obtaining body fluid from the patient; pretreating the body fluid; subjecting the pretreated body fluid to size-exclusion chromatography to create an excluded fluid; and analyzing the excluded fluid to detect macromolecules having a predetermined molecular weight. The method also allows for comparing elution spectra with reference spectra of suspect pathologic proteins.

2000-05-16

205

Low-Temperature Neon Isotope Separation  

International Science & Technology Center (ISTC)

Development of a Plant for Neon Isotopes Separation by Low-Temperature Rectification Method

206

Liquid Radioactive Wastes Processing  

International Science & Technology Center (ISTC)

Methods of Decontamination, Utilization, and Deactivation of Liquid Radioactive Wastes

208

Kinetic dialysis as a method for determining mixed micelle composition  

Energy Technology Data Exchange (ETDEWEB)

A new method for the determination of the cmc using a dialysis technique which allows monometric species to diffuse through but no micelles has been applied for determining the mixed micelle composition. The method is based on determining the amount of surfactant that diffuses through at two different times which allows for the calculation of the cmc by use of the appropriate equation. This method requires the preparation of only one concentration of solution and lends itself particularly well to the determination of the composition of mixed micelles. (orig.)

1982-02-16

215

Estimation of the age of the universe by the nucleochronology method  

Energy Technology Data Exchange (ETDEWEB)

Unconditional estimates are suggested for the age of radioactive nuclei and hence for the age of the Universe.

1983-10-01

218

Electrodepositing Nanostructured Composite Coatings  

International Science & Technology Center (ISTC)

Development of the Method of Electrodepositing Nanostructured Composite Coatings with Improved Engineering Properties

227

Development of internal dose estimation software on radiation protection  

International Nuclear Information System (INIS)

Objective: To develop a computerized method of internal dose estimation on radiation protection. Methods: Based on MIRD mathematic model of the organs and by means of the programming language of MS Visual Basic 6.0, a computer program of dose estimation in internal radiation was developed for radiation protection. Results: The computerized method of dose estimation for internal radiation was completed. Conclusions: This computerized method is very convenient for internal radiation dose estimation of several aspects. It can also be used in radiation accident. (authors)

2008-10-01

228

Determination of lead in biological and environmental samples by "2"0"3Pb isotope dilution substoichiometric method  

International Nuclear Information System (INIS)

A procedure for the determination of lead in various biological and environmental samples by "2"0"3Pb radioisotope dilution substoichiometric method is presented. The accuracy of the method by comparison with the literature values of reference materials appears to be good. The standard deviation of the method is less than 10%, and detection limit is about 0.1 #mu#g of lead. (author) 5 refs.

234

Comparison of ion chromatography and titrimetry for determination of sulfur in fuel oils  

Energy Technology Data Exchange (ETDEWEB)

A comparison was made of Parr bomb ion chromatographic and titrimetric methods to determine sulfur in fuel oils. The two methods are comparable in precision and accuracy. When rapid sulfur determination in a number of samples is desired, the titrimetry method appears to be an appropriate choice between the two methods. l3 tables.

1982-12-01

236

Chemical Reactor Diagnostics  

International Science & Technology Center (ISTC)

Development of Methods and Apparatus for Processes Diagnostics in Plasma Reactors at the Neutralization of Chemical Herbiside and Pestiside

241

Argon Arc Welding for Pipelines  

International Science & Technology Center (ISTC)

Improvement of Methods of Automatic Self-Compression Argon Arc Welding for Pipelines

242

Are we scoring calories correct?  

CERN Document Server

A new method of food stuff energetic value scoring is offered

2008-01-01

244

Animal Brucellosis in the Kyrgyz Republic  

International Science & Technology Center (ISTC)

Epizootological Monitoring of Brucellosis and Methods of its Eradication in the Kyrgyz Republic

248

A new sixth-order scheme for nonlinear equations  

British Library Electronic Table of Contents (United Kingdom)

In this paper we present a new efficient sixth-order scheme for nonlinear equations. The method is compared to several members of the family of methods developed by Neta (1979) [B. Neta, A sixth-order family of methods for nonlinear equations, Int. J. Comput. Math. 7 (1979) 157-161]. It is shown that the new method is an improvement over this well known scheme.

2012-01-01

255

QTL mapping in outbred half-sib families using Bayesian model selection.  

Science.gov (United States)

In this article, we propose a model selection method, the Bayesian composite model space approach, to map quantitative trait loci (QTL) in a half-sib population for continuous and binary traits. In our method, the identity-by-descent-based variance component model is used. To demonstrate the performance of this model, the method was applied to map QTL underlying production traits on BTA6 in a Chinese half-sib dairy cattle population. A total of four QTLs were detected, whereas only one QTL was identified using the traditional least square (LS) method. We also conducted two simulation experiments to validate the efficiency of our method. The results suggest that the proposed method based on a multiple-QTL model is efficient in mapping multiple QTL for an outbred half-sib population and is more powerful than the LS method based on a single-QTL ...

2011-04-13

256

Geometric configuration factors for polygonal zones using Nusselt's unit sphere  

Energy Technology Data Exchange (ETDEWEB)

The Energy Laboratory of the University of Houston has developed a computer simulation program called CREAM (Cavity Radiation Exchange Analysis Model) for application to the solar central receiver system. CREAM contains a geometric configuration factor generator based on Nusselt's method. A formulation of Nusselt's method provides the basis for a FORTRAN subroutine NUSSELT. Numerical results from NUSSELT are compared to analytic values and values from Sparrow's method. Sparrow's method is based on a double contour integral and its reduction to a single integral which is a approximated by Gaussian methods. Nusselt's method is adequate for the intended engineering applications, but Sparrow's method is an order of magnitude more efficient in many situations.

1983-05-01

257

Dynamic Model Updating Using Particle Swarm Optimization Method  

CERN Document Server

This paper proposes the use of particle swarm optimization method (PSO) for finite element (FE) model updating. The PSO method is compared to the existing methods that use simulated annealing (SA) or genetic algorithms (GA) for FE model for model updating. The proposed method is tested on an unsymmetrical H-shaped structure. It is observed that the proposed method gives updated natural frequencies the most accurate and followed by those given by an updated model that was obtained using the GA and a full FE model. It is also observed that the proposed method gives updated mode shapes that are best correlated to the measured ones, followed by those given by an updated model that was obtained using the SA and a full FE model. Furthermore, it is observed that the PSO achieves this accuracy at a computational speed that is faster than that by the GA and a full FE ...

2007-01-01

258

A simplified method for cholesterol determination in meat and meat products  

British Library Electronic Table of Contents (United Kingdom)

The objectives of this study were to develop an accurate and precise method for cholesterol quantification in meat samples based on modifications made to an existing procedure (AOAC Official Method 994.10), and to apply this modified method to evaluate cholesterol levels in longissimus muscles (LM) from Angus (AN, n=5), Brahman (BR, n=4), and Romosinuano (RM, n=9) breeds. Validation of this method was performed using a meat homogenate (Standard Reference Material 1546) from National Institute of Standards and Technology (NIST), and LM samples from the three breeds with fat contents ranging from 2.4% to 9.3%. The results indicated that the modified method was accurate with cholesterol recovery exceeding 95%. The method was also found to be precise with an average coefficient of variation of...

2008-01-01

259

Three dimensional wavefield modeling using the pseudospectral method; Pseudospectral ho ni yoru sanjigen hadoba modeling  

Energy Technology Data Exchange (ETDEWEB)

Discussed in this report is a wavefield simulation in the 3-dimensional seismic survey. With the level of the object of exploration growing deeper and the object more complicated in structure, the survey method is now turning 3-dimensional. There are several modelling methods for numerical calculation of 3-dimensional wavefields, such as the difference method, pseudospectral method, and the like, all of which demand an exorbitantly large memory and long calculation time, and are costly. Such methods have of late become feasible, however, thanks to the advent of the parallel computer. As compared with the difference method, the pseudospectral method requires a smaller computer memory and shorter computation time, and is more flexible in accepting models. It outputs the result in fullwave just like the difference method, ...

1997-05-27

260

Quantitative assessment of mineral content in metacarpal bone with Fuji computed radiography  

Energy Technology Data Exchange (ETDEWEB)

A new microdensitometry method for quantitative assessment of bone mineral content using Fuji computed radiography (FCR) was developed and the results were compared with those obtained by the conventional film-screen method. Using both methods, X-ray pictures of the 2nd metacarpal bone were taken with a reference aluminum step wedge in nine normal subjects and nine parameters representing the width and density of bone marrow and cortex were calculated in middle of the bone shaft. Interobserver reproducibility assessed for three parameters was significantly higher in the FCR method than the conventional one. The value of {Sigma}GS computed by the FCR method, that is equivalent to the net bone density of the transverse section of the shaft, showed higher correlation with the one obtained by computed tomography in comparison with the conventional method. In our FCR ...

1990-05-01

261

Quantitative assessment of mineral content in metacarpal bone with Fuji computed radiography  

International Nuclear Information System (INIS)

A new microdensitometry method for quantitative assessment of bone mineral content using Fuji computed radiography (FCR) was developed and the results were compared with those obtained by the conventional film-screen method. Using both methods, X-ray pictures of the 2nd metacarpal bone were taken with a reference aluminum step wedge in nine normal subjects and nine parameters representing the width and density of bone marrow and cortex were calculated in middle of the bone shaft. Interobserver reproducibility assessed for three parameters was significantly higher in the FCR method than the conventional one. The value of #SIGMA#GS computed by the FCR method, that is equivalent to the net bone density of the transverse section of the shaft, showed higher correlation with the one obtained by computed tomography in comparison with the conventional method. In our FCR ...

1990-01-01

262

Evaluation of two streamlined life cycle assessment methods  

International Nuclear Information System (INIS)

Two different methods for streamlined life cycle assessment (LCA) are described: the MECO-method and SLCA. Both methods are tested on an already made case-study on cars fuelled with petrol or ethanol, and electric cars with electricity produced from hydro power or coal. The report also contains some background information on LCA and streamlined LCA, and a deschption of the case study used. The evaluation of the MECO and SLCA-methods are based on a comparison of the results from the case study as well as practical aspects. One conclusion is that the SLCA-method has some limitations. Among the limitations are that the whole life-cycle is not covered, it requires quite a lot of information and there is room for arbitrariness. It is not very flexible instead it difficult to develop further. We are therefore not recommending the SLCA-method. The ...

263

Vibrations of circular cylindrical shells  

Science.gov (United States)

An exact solution method for the free vibration problem of thin circular cylindrical shells is presented. The differential equations of motion are solved directly with the use of simple Fourier series as the modal displacement functions. Stokes' transformation is exploited to obtain correct series expressions for the derivatives of the Fourier series. From this method an explicit expression of the exact frequency equation can be obtained for any kind of boundary conditions. The accuracy of the present method is checked against available data. The proposed method is then used to find the modal characteristics of the thermal liner of the Fast Test Reactor (FTR). The numerical results obtained are compared with finite element method solutions. (auth)

1975-07-01

264

The calculation of derived release limit on Wolsung NPPs based on reduced public dose limit  

Energy Technology Data Exchange (ETDEWEB)

According to enactment of reduced dose limit based on ICRP-60, the calculation of Derived Release Limits(DRL) on Wolsung NPPs was carried out. There are two methods of determination on DRL; that is MPC(Maximum Permissible Concentration) method and system analysis method. In order to use the system analysis method, lots of environmental data are necessary and complicated exposure pathway are considered. So we intend to apply MPC method that is sort of simple. In addition the calculated results were compared with derived release limit on Canadian nuclear power plant.

2000-10-01

265

Numerical methods for solving problems with a free boundary. Chislennye metody resheniia zadach so svobodnoi granitsei  

Energy Technology Data Exchange (ETDEWEB)

Approximate methods are presented for solving nonlinear boundary value problems with an unknown (free) boundary, such as the Stefan problem in heat conductivity. Examples of this kind of problems in thermal physics, hydrodynamics, elasticity, and plasma physics are examined. Attention is given to the principal computational methods for solving stationary problems for second- and fourth-order elliptic equations, such as the domain transformation and penalty methods. To illustrate the capabilities of the methods presented here, examples of numerical solutions are presented for various specific applied problems. 255 references.

1987-01-01

266

Numerical Computation of Diffusion on a Surface  

Energy Technology Data Exchange (ETDEWEB)

We present a numerical method for computing diffusive transport on a surface derived from image data. Our underlying discretization method uses a Cartesian grid embedded boundary method for computing the volume transport in region consisting of all points a small distance from the surface. We obtain a representation of this region from image data using a front propagation computation based on level set methods for solving the Hamilton-Jacobi and eikonal equations. We demonstrate that the method is second-order accurate in space and time, and is capable of computing solutions on complex surface geometries obtained from image data of cells.

2005-02-24

267

Monte Carlo simulations and experimental validations of #alpha# eigenvalues - 091  

International Nuclear Information System (INIS)

A Monte Carlo method called transient curve fitting method was developed to calculate a eigenvalues by first simulating the existing neutrons and precursors in the system, then calculating the Eigen-distribution of neutron flux and calculating the a eigenvalues using the transient results based on the Eigen-distribution by the code TMCC. The results of this method are tested by calculating Godiva Benchmark problems and they agree well with the benchmark results. Then the reasonable results of Subcritical Facility in Tsinghua University are given by TMCC, and the results are compared with the experimental results measured by Rossi-a method. Even in the deep subcritical cases, the method can give results consistent with experimental results. (authors)

2010-05-09

268

Levenshtein Distance Technique in Dictionary Lookup Methods: An Improved Approach  

CERN Document Server

Dictionary lookup methods are popular in dealing with ambiguous letters which were not recognized by Optical Character Readers. However, a robust dictionary lookup method can be complex as apriori probability calculation or a large dictionary size increases the overhead and the cost of searching. In this context, Levenshtein distance is a simple metric which can be an effective string approximation tool. After observing the effectiveness of this method, an improvement has been made to this method by grouping some similar looking alphabets and reducing the weighted difference among members of the same group. The results showed marked improvement over the traditional Levenshtein distance technique.

2011-01-01

269

Key methods for sustaining quality engineering data in nuclear power plants  

International Nuclear Information System (INIS)

This paper discusses key methods for sustaining quality engineering data, the fundamental principles that these methods are based on, and the methods for supporting the performance of nuclear power plants by the provision of quality engineering data at all times. The concept of an 'engineering data foundation', and a Configuration Management data model are developed. The concepts and methods for managing the integrity of engineering data across many different databases and document systems are developed, including the key concepts of data-positions and data-values, Master Data and Copy Data, and the concept of a 'partnership between people and technology'. (author). 7 refs., 1 tab., 2 figs.

1995-06-04

270

Intergranular corrosion in Alloy 800: intercomparison between the Strauss test, the EPR method, and magnetic permeability measurements  

Energy Technology Data Exchange (ETDEWEB)

The susceptibility to intergranular corrosion of different heats of Alloy 800 was evaluated by three different methods: the ASTM A 262 Practice E (or modified Strauss test), the Electrochemical Potentiokinetic Reactivation method, and by magnetic-susceptibility measurements. Reasonably good agreement was found between the sensitization areas as defined by the three methods in the TTS diagrams. In some cases the area defined by the Strauss test was slightly smaller than that determined by the other two tests. The differences might be explained by the fact that the methods present different sensitivities to the chromium concentration at the grain boundaries. 27 references, 11 figures, 3 tables.

1982-01-01

271

Implementation of the Random Forest method for the Imaging Atmospheric Cherenkov Telescope MAGIC  

Energy Technology Data Exchange (ETDEWEB)

The paper describes an application of the tree classification method Random Forest (RF), as used in the analysis of data from the ground-based gamma telescope MAGIC. In such telescopes, cosmic gamma-rays are observed and have to be discriminated against a dominating background of hadronic cosmic-ray particles. We describe the application of RF for this gamma/hadron separation. The RF method often shows superior performance in comparison with traditional semi-empirical techniques. Critical issues of the method and its implementation are discussed. An application of the RF method for estimation of a continuous parameter from related variables, rather than discrete classes, is also discussed.

2008-04-11

272

Feynman integral calculus  

Energy Technology Data Exchange (ETDEWEB)

The goal of the book is to summarize those methods for evaluating Feynman integrals that have been developed over a span of more than fifty years. The book characterizes the most powerful methods and illustrates them with numerous examples starting from very simple ones and progressing to nontrivial examples. The book demonstrates how to choose adequate methods and combine evaluation methods in a non-trivial way. The most powerful methods are characterized and then illustrated through numerous examples. This is an updated textbook version of the previous book (Evaluating Feynman integrals, STMP 211) of the author. (orig.)

2006-07-01

273

Estimation of static formation temperatures in geothermal wells  

Energy Technology Data Exchange (ETDEWEB)

Stabilized formation temperatures were estimated at different depths in 40 wells from the Los Humeros geothermal field, Mexico, using the Horner and the spherical radial flow (SRF) methods. The results showed that the Horner method underestimates formation temperatures, while the SRF method gives temperatures that are closer to the true formation temperatures. This was supported by numerical simulation of a combined circulation and shut-in period in several wells, and results for well H-26 are presented. Numerical reproduction of logged temperature is more feasible if an initial temperature profile based on the SRF method is employed instead of using an initial temperature profile based on the Horner method. (Author)

2003-05-01

274

Analysis of o-tyrosine as a method for the identification of irradiated chicken and the comparison with other methods (analysis of volatiles and ESR-spectroscopy)  

Energy Technology Data Exchange (ETDEWEB)

With the mentioned method to analyse O-tyrosine with HPLC/fluorescence-detection, the irradiation of chicken meat can be determined in a simple and fast way. The formation of o-tyrosine is proportional to the applied dose but because it is also depending on the applied dose rate and the temperature during the irradiation, it is not possible to control the irradiation dose. Since unirradiated chicken can contain little amounts of o-tyrosine and to confirm some results, a second method is needed. Together with one of the other mentioned methods (analysis of the volatiles or esr-spectroscopy) it is possible to recognize irradiated chicken with a high security. (author).

1990-01-01

275

Advantages and limitations of the SETS method. [PWR; BWR  

Energy Technology Data Exchange (ETDEWEB)

The stability-enchancing two-step (SETS) method has been used successfully in the Transient Reactor Analysis Code (TRAC) for several years. The method consists of a basic semi-implicit step combined with a stabilizer step that, taken together, eliminate the material Courant stability limit associated with standard semi-implicit numerical methods. This approach toward stability requires significantly fewer computational operations than a fully implicit method, but currently maintains the first-order accuracy in space and time of its semi-implicit predecessors.

1983-01-01

276

Stability analysis based on expanded displacement method for pile foundations; Kakucho hen`iho ni yoru kui kiso no jitsuyo antei keisanho ni tsuite  

Energy Technology Data Exchange (ETDEWEB)

Method is proposed for expanding the pile foundation elastic analysis method (displacement method) to cover a larger displacement region, and its appropriateness is verified by a field test. In this report, stability calculation is discussed in which the present displacement method is expanded by assuming an equivalent plastic hinge on the pile head and by replacing the soil spring in the large displacement region with an equivalent linear elastic spring. A static horizontal loading test is conducted for a foundation using a real pile, which is an application of this method. On the assumption that a hinge is generated on the pile head, the pile spring constant of the current displacement method is replaced with a value that takes into consideration the plastic hinge region, and this enables the analysis of pile behavior even after breakdown. This ...

1997-06-21

277

Non-destructive testing of refractories, especially AZS materials, with ultrasound, microwaves and {gamma}-radiation  

Energy Technology Data Exchange (ETDEWEB)

In principle four different methods (ultrasound, microwaves, {gamma}-radiation and x-rays) are available for the non-destructive testing of refractories. Three of these methods, i.e. ultrasound, microwaves and {gamma}-radiation, are in use by different producers of AZS materials to carry out the quality control of their products. This paper will compare the three methods on the basis of the physical properties, present the existing devices, and show the advantages as well as the limits of the different methods. {gamma}-radiography, the oldest method in use, has one main disadvantage, which is the requirement of protection against radioactive radiation. Furthermore, while cracks and cavities can be detected with this method, structural changes can not be monitored. Therefore, the ultrasonic method was developed that allows to detect ...

1995-08-01

278

Undergraduate Instruction in Empirical Research Methods in Communication: Assessment and Recommendations  

British Library Electronic Table of Contents (United Kingdom)

This study assesses the current state of undergraduate instruction in empirical research methods in communication and offers recommendations for enhancing such instruction. Responses to an online questionnaire were received from 149 communication-related programs at four-year colleges and universities. Just over 85% of responding programs offered an empirical methods course. Although the course often covered both qualitative and quantitative methods, instruction was heavily slanted toward quantitative methods and topics common to both qualitative and quantitative inquiry. The empirical methods course was usually required for graduation, but it was typically not well integrated with the rest of the curriculum and taken late in students' undergraduate careers. Additional analyses examined st...

2011-01-01

279

Selection of optimum method for slope stability analysis in view of new mining technologies. Izbor optimalne metode analize stabilnosti u funkciji novih rudarskih tehnologija  

Energy Technology Data Exchange (ETDEWEB)

Deals with slope stability problems met in the D coalfield of the Tamnava-Iztok surface coal mine where 171 Mt of brown coal have been excavated and 520 Mm{sup 3} of overburden. Six geomechanical methods were used to verify the reliability of slope angels (Hoek, Froehlich, Janbu, Bishop, Reame and Swase) along with the theory of finite elements. All calculations were accomplished by means of computers. It was found that the Ream method (combined Bishop and Fellenius method) provides the most reliable results in determining general slope angles. The Janbu method is mostly suited for locations with complicated geological conditions (multi-layer benches); the Swase method may be considered as most reliable for locations with simple geological conditions and for spoil banks. 5 refs.

1989-01-01

280

Robust curve fitting method for single binding site mass action model of radioimmunoassay  

International Nuclear Information System (INIS)

The difficulty and unstability of the parameter estimation of mass action model for radioimmunoassay are the major obstacles to its application in routine work. A unique robust curve fitting method for the mass action model was introduced. large numbers of simulated data were generated with Monte Carlo method to compare the accuracy and robustness of the robust fitting and the least squre fitting (Marquardt method) of the mass action model. The results demonstrated that the new robusst method significantly increased the accuracy and reliability of data processing with the mass action model. It also markedly reduced the influence of outliers in the fitting of RIA data, and it was always 'convergent'. This robust method could also be applied to other mathematical models which can be transformed into high degree equations and no initial estimates are needed for curve fitting.

281

Research on optimizing pass schedule of tandem cold mill  

Energy Technology Data Exchange (ETDEWEB)

In this paper, research on pass schedule of tandem cold mill (TCM) is carried out. According to load (reduction, rolling force, motor power) balance, non-linear equations set with variables of inter-stand thickness is constructed. The pass schedule optimization is carried out by solving the non-linear equations set. As the traditional method, the Newton-Raphson method is used for solving the non-linear equations set. In this paper a new simple method is brought up. On basis of the monotone relations between thickness and load, the inter-stands thickness is adjusted dynamically. The solution of non-linear equations set can be converged by iterative calculation. This method can avoid the derivative calculation used by traditional method. So, this method is simple and calculation speed is high. It is suitable for on-line control. (author)

2000-07-01

282

Research on optimizing pass schedule of tandem cold mill  

International Nuclear Information System (INIS)

In this paper, research on pass schedule of tandem cold mill (TCM) is carried out. According to load (reduction, rolling force, motor power) balance, non-linear equations set with variables of inter-stand thickness is constructed. The pass schedule optimization is carried out by solving the non-linear equations set. As the traditional method, the Newton-Raphson method is used for solving the non-linear equations set. In this paper a new simple method is brought up. On basis of the monotone relations between thickness and load, the inter-stands thickness is adjusted dynamically. The solution of non-linear equations set can be converged by iterative calculation. This method can avoid the derivative calculation used by traditional method. So, this method is simple and calculation speed is high. It is suitable for on-line control. (author)

2000-08-20

283

Research of time-domain equivalent circuit method in solving dispersion of coupled-cavity traveling-wave tube  

International Nuclear Information System (INIS)

In this paper, a time-domain equivalent circuit method is applied to solve dispersion of coupled-cavity travelling-wave tube (CCTWT). First, the time-domain circuit equations of CCTWT coupled-cavity chain are deduced from the equivalent circuit model. Then, the equations are solved numerically by fourth-order Runge-Kutta method and a program CTTDCP is developed using MATLAB. Last, a L-band CCTWT is calculated using CTTDCP and the cavity pass-band of this tube is computed to be 1.08-1.48 GHz, which is consistent with the experimental results and the simulation results of electromagnetic code and demonstrates the validity of the time-domain equivalent circuit method. In addition, a new design method which uses the equivalent circuit method and electromagnetic simulation together to optimize the cold cavity characteristics of CCTWT is proposed. (authors)

2008-09-01

284

Recursive distribution method for probabilistic fracture mechanics and its application to evaluation of LWR piping  

Energy Technology Data Exchange (ETDEWEB)

The present authors have previously developed a new method for Probabilistic Fracture Mechanics (PFM), which they call Recursive Distribution (RD) method. The method is based on the construction of the Lebesgue-Stieltjes measure through a deterministic mapping defining a crack growth process. In the present paper, its theoretical background is first discussed, and the Lebesgue decomposition of the measure is given. Then a numerical example of a Light Water Reactor (LWR)`s piping problem is solved by the present method, and the results are compared with those of the Monte Carlo (MC) method. In addition to leakage probability, a variation in stress cycles of the marginal distribution of an aspect ratio of a semi-elliptical surface crack is calculated, which will be used in a study on LBB evaluation.

1996-12-01

285

Numerical modeling of a MEMS actuator considering several magnetic force calculation methods  

British Library Electronic Table of Contents (United Kingdom)

Purpose - The purpose of this paper is to investigate the accuracy of different force calculation methods and their impact on mechanical deformations. For this purpose, a micrometer scaled actuator is considered, which consists of a micro-coil and of a permanent magnet (PM) embedded in a deformable elastomeric layer. Design/methodology/approach - For the magnetic field evaluation a hybrid numerical approach (finite element method/boundary element method (FEM/BEM) coupling and a FEM/BEM/Biot-Savart approach) is used, whereas FEM is implemented for the mechanical deformation analysis. Furthermore, for the magneto-mechanical coupling several force calculation methods, namely the Maxwell stress tensor, the virtual work approach and the equivalent magnetic sources methods, are considered and co...

2011-01-01

286

Numerical analysis of melting/solidification phenomena using a moving boundary problem analysis method X-FEM  

International Nuclear Information System (INIS)

A numerical analysis method for melting/solidification phenomena has been developed to evaluate a feasibility of several candidate techniques in the nuclear fuel cycle. Our method is based on the eXtended Finite Element Method (X-FEM) which has been used for moving boundary problems. Key technique of the X-FEM is to incorporate signed distance function into finite element interpolation to represent a discontinuous gradient of the temperature at a moving solid-liquid interface. Construction of the finite element equation, the technique of quadrature and the method to solve the equation are reported here. The numerical solutions of the one-dimensional Stefan problem, solidification in a two-dimensional square corner and melting of pure gallium are compared to the exact solutions or to the experimental data. Through these analyses, validity of the newly developed numerical analysis ...

2008-06-01

287

Measuring perceptual centers using the phase correction response  

British Library Electronic Table of Contents (United Kingdom)

The perceptual center (P-center) is fundamental to the timing of heterogeneous event sequences, including music and speech. Unfortunately, there is currently no comprehensive and reliable model of P-centers in acoustic events, so P-centers must instead be measured empirically. This study reviews existing measurement methods and evaluates two methods in detail?the rhythm adjustment method and a new method based on the phase correction response (PCR) in a synchronous tapping task. The two methods yielded consistent P-center estimates and showed no evidence of P-center context dependence. The PCR method appears promising because it is accurate and efficient and does not require explicit perceptual judgments. As a secondary result, the magnitude of the PCR is shown to vary systematically with ...

2011-01-01

288

Limitation of immunohistochemical localization of estrogen receptor  

Energy Technology Data Exchange (ETDEWEB)

Although the radioreceptor method is widely used for estrogen receptor assay in human tissue, it has several limitations and a number of alternative methods are being explored. An immunohistochemical method of estrogen receptor assay using a specific antibody to estradiol has been proposed as a suitable alternative. The present study was designed to evaluate the validity of this method in detecting true estrogen receptors in human tumor tissue. Using radioiodinated antibody to estrogen, we have demonstrated that the estrogen antibody can detect the estrogen when it is bound to 4S type receptor but is unable to bind to estrogen when the hormone is bound to 8S type receptor. Our observations suggest that the immunohistochemical method of detection of intracellular cytosolic receptor for estrogen is not a suitable alternative to the currently used radioreceptor ...

1986-10-01

289

LMBFR and LWR in-core thermal-hydraulic codes: the state-of-the-art and research and development needs  

Energy Technology Data Exchange (ETDEWEB)

A review of analytical design methods used for predicting reactor core flow and temperature distributions is presented with emphasis on LMFBR's. The paper also briefly describes and contrasts the methods used for LWR's. These methods are global analysis, subchannel analysis, distributed parameter, and hybrid analysis. The evolution of the local and subchannel analysis methods is presented. Data used for code validation are also presented. Current research and development needs are identified and discussed. Areas identified for future research and development include methods and expermental data for analysis of distorted bundles and natural convection. Methods that have been developed for predicting the safety performance of LMFBR's and LWR's are not within the scope of this paper.

1981-04-01

290

Investigation of the dielectric properties of MnO-additive Pb(Fe2/3W1/3)-PbTiO3 relaxors prepared by two different methods  

International Nuclear Information System (INIS)

In this paper, 0.75Pb(Fe2/3W1/3)O3-0.25PbTiO3-0.15 wt% MnO (0.75PFW-0.25PT-0.15 wt% MnO) ceramics are synthesized by two different methods, the conventional direct oxide synthesized (DS) method and two-step indirect synthesized (IS) method. The low-field dielectric responses are investigated by using the empirical law, the Curie-Weiss law, the modified-Landau theory and the spin-glass model. Due to the IS method, the lattice structure and the grain structure of the samples are changed. Furthermore, the dielectric properties are evidently modified. It is suggested that the ordering degree of B-site cations is enhanced by using the IS synthesized method.

2008-07-28

291

Imaging subsurface using cross-correlation  

Energy Technology Data Exchange (ETDEWEB)

This paper presents two imaging methods by using cross correlation. The one method images the subsurface by cross-correlation of the observed data and partial derivative seismograms calculated for a guessed model. The other method images the interface by use of cross-correlation of the virtual sources and the back propagated wave fields calculated from the observed data. Experimental tests show that both methods image subsurface interfaces well even if the guessed model is different from the true one. These imaging methods are reverse time migration that we perform cross-correlation as an imaging condition and have an advantage, as compared to conventional waveform inversion method, that images subsurface structure without iterative perturbation of the assumed model. (author). 18 refs., 15 figs.

1997-12-31

292

Extension of energy acceptance of Bragg curve counter at the high-energy end  

Energy Technology Data Exchange (ETDEWEB)

We have developed an energy-extension method of a Bragg curve counter (BCC) at the high-energy end for the measurements of double-differential cross-sections (DDXs) of fragment productions induced by tens of MeV protons. In this method, we estimate the incident energies of the fragments penetrating a BCC on the basis of the energy loss and atomic number (Z). We applied this method to the DDX measurements of the {sup nat}C(p, Li) and {sup nat}C(p, Be) reactions induced by 70 MeV protons. The validity of this method has been confirmed by comparing the DDXs of beryllium with theoretical predictions of the PHITS code and the two-body kinematics. This method improves the energy acceptance of the BCC for light fragments twice as wide as that of a conventional method without remodeling of the BCC and any loss of the original advantages.

2008-07-11

293

Comparison of fluorescence in situ hybridisation using peptide nucleic acid probes, Gram stain/acridine orange leukocyte cytospin and differential time to positivity methods for detection of catheter related bloodstream infection in patients after haematopoietic stem cell transplantation  

British Library Electronic Table of Contents (United Kingdom)

Abstract In 46 febrile neutropenic patients who had undergone haematopoietic stem cell transplantation, the fluorescence in situ hybridisation using peptide nucleic acid probes (PNA FISH), Gram stain/acridine orange leukocyte cytospin (Gram/AOLC), and differential time to positivity (DTP) methods were performed for detection of catheter related bloodstream infections (CRBSIs). As compared with the DTP method (which detected 11 patients with CRBSI), the PNA FISH and the Gram/AOLC methods detected ten of 11 CRBSI patients, resulting in a sensitivity, specificity, negative predictive value and positive predictive value of 91%, 100%, 97% and 100%, respectively, for the PNA FISH method as well as for the Gram/AOLC method.

2010-01-01

294

Analysis of modified Van der Pol's oscillator using He's parameter-expanding methods  

British Library Electronic Table of Contents (United Kingdom)

In this work, a powerful analytical method, called He's parameter-expanding methods (HPEM) is used to obtain the exact solutions of non-linear modified Van der Pol's oscillator. The classical Van der Pol equation with delayed feedback and a modified equation where a delayed term provides the damping are considered. It is shown that one term in series expansions is sufficient to obtain a highly accurate solution, which is valid for the whole solution domain. Comparison of the obtained solution with those obtained using perturbation method shows that this method is effective and convenient to solve this problem. This method introduces a capable tool to solve this kind of non-linear problems.

2010-01-01

295

A nodal integral method for neutron diffusion in hexagonal geometry  

International Nuclear Information System (INIS)

A nodal integral method is derived for the monoenergetic, steady-state, fixed source neutron diffusion equation in hexagonal geometry based on a coordinate transformation that maps a parallelogram into a rectangle. The new hexagonal nodal diffusion method is implemented in the computer code HND where the discrete-variable equations are solved via an iterative scheme. Because the new method's equations are derived for a rhombus, they can be solved on a sequence of embedded meshes to study the method's error order. Indeed a preliminary numerical error analysis reveals a second-order error in the mesh size, and comparison with finite difference results obtained with the finite difference based BOLD-VENTURE code indicate the superior accuracy of our new nodal method.

1992-03-08

296

Improvement of numerical analysis method for FBR core characteristics. 2  

Energy Technology Data Exchange (ETDEWEB)

This report is composed of the following two parts and appendix. (I) Improvement of the Method for Evaluating Reactivity Based on Monte Carlo Perturbation Theory: Theoretical formulation in Monte Carlo perturbation method had been checked, and then introduced into a calculation code. There are some cases that the results of the change of eigenvalues becomes positive or negative by changing the estimator, and there is no reasonable difference in the results between the conventional method, which does not consider the change of neutron source distribution caused by a perturbation, and the new method, which consider that change. Thus it is still necessary to check the Monte Carlo perturbation code. (II) Improvement of Nodal Transport Method for 3-D Hexagonal Geometry: We can accurately evaluate hexagonal geometry FBR core by nodal transport calculation code for hexagonal-Z geometry ...

1997-03-01

297

Bone age estimation and prediction of final height in patients with {beta}-thalassaemia major: a comparison between the two most common methods  

Energy Technology Data Exchange (ETDEWEB)

Thalassaemic patients are in need of frequent assessment of bone age because of growth failure and pubertal disorders. To compare the ''rapid'' Greulich and Pyle (G and P) method with the third edition of the Tanner and Whitehouse (TW3) method for determining skeletal maturity and predicting final height in thalassaemic patients. A total of 191 radiographs from 58 patients (28 male, 30 female) were retrospectively evaluated by two investigators, one for each method. In 47 radiographs from 15 patients having attained their adult height, predicted final height was calculated according to each method. The mean bone ages determined by both the G and P and TW3 methods were lower than mean chronological age, although the differences were not statistically significant (10.04 {+-} 3.69 years and 9.98 {+-} 3.39 years vs. 10.78 {+-} 3.96 years, ...

2007-12-15

298

UV and Three Derivative Spectrophotometric Methods for Determination of Ezetimibe in Tablet Formulation  

UK PubMed Central (United Kingdom)

UV, first, second and third derivative spectrophotometric methods have been developed for the determination of ezetimibe in pharmaceutical formulation. The solutions of standard and sample were prepared...Full Text Available

2008-03-01

299

Transport into retina measured by short vascular perfusion in the rat.  

UK PubMed Central (United Kingdom)

1. The short duration cerebrovascular perfusion method for measuring permeability of the blood-brain barrier has been adapted to measuring transport into the retina. 2. The method has been characterized...Full Text Available

1993-10-01

300

The Health-Related Quality of Life in Long-Term Colorectal Cancer Survivors Study: objectives, methods, and patient sample  

UK PubMed Central (United Kingdom)

ObjectivesThe objective of this paper is to describe the complex mixed-methods design of a study conducted to assess health-related quality of life (HRQOL) outcomes...Full Text Available

2008-07-01

301

Test API: Class SearchCriteria  

Science.gov (United States)

Overview  Package   Class  Use  Tree  Deprecated  Index  Help   PREV CLASS   NEXT CLASS FRAMES    NO FRAMES SUMMARY:  INNER | FIELD | CONSTR | METHOD DETAIL:  FIELD | CONSTR | METHOD gov.nih.nci.dc.database Class SearchCriteria java.lang.Object |

302

Study of solution for issues of an optimum operating plan in heat storing system; Chikunetsu system ni okeru saiteki un`yo keikaku mondai no kaiho ni taisuru ichikosatsu  

Energy Technology Data Exchange (ETDEWEB)

An approximate solution was proposed in which a sensitivity analysis by the storage and release of heat was performed for the subject issues and in which an operating method was thereby determined for the equipment constituting the system by means of a linear programming. Accordingly, a heat storage type energy supply system for a district cooling and heating was taken up as a concrete object to be examined. This system consisted of a gas turbine generator, initial power receiving equipment, gas boiler, electric heat pump for ice heat storage, cooling tower, heat exchanger, steam absorbing refrigerating machine, ice heat storage tank, cold and warm water heat storage tank, etc. As a result of comparison between the proposed method and the resolving method, the former showed -0.92 to 2.58% in the increase in the operating cost compared with the latter. A case where the operating cost of the resolving ...

1996-02-01

303

Studies of neutron dosimetry  

Energy Technology Data Exchange (ETDEWEB)

A high-purity, intense, fast-neutron source has been developed at our laboratory. We describe two inexpensive, straightforward methods of determining the total number of neutrons produced and we review precautions to be taken in applying these methods. (orig.).

1997-04-01

304

Sp(2)-BRST  

Energy Technology Data Exchange (ETDEWEB)

A general method is given for the construction of gauge-fixed actions for theories with local gauge symmetries. The method is based on the single requirement that the space of fields carries an irreducible representation of the Sp(2)-BRST algebra, with respect to which the resultant actions are then automatically invariant.

1988-09-01

305

Some problems about the spline curve fitting method  

International Nuclear Information System (INIS)

The parameters including knot numbers, knot positions and the weights associated with the systematic errors in the cubic spline curve fitting method were discussed. The conditions of using fitting criterion were given as well.

306

Simple fractal method of assessment of histological images for application in medical diagnostics  

UK PubMed Central (United Kingdom)

We propose new method of assessment of histological images for medical diagnostics. 2-D image is preprocessed to form 1-D landscapes or 1-D signature of the image contour and then their complexity is...Full Text Available

307

Selected results in hadron structure from lattice QCD  

Energy Technology Data Exchange (ETDEWEB)

I present results for the mass spectrum of excited baryons and pentaquarks using overlap fermions and Bayesian curve-fitting method; and magnetic moments and polarizabilities for a variety of hadrons in the background field method.

2006-03-15

308

Selected results in hadron structure from lattice QCD  

International Nuclear Information System (INIS)

I present results for the mass spectrum of excited baryons and pentaquarks using overlap fermions and Bayesian curve-fitting method; and magnetic moments and polarizabilities for a variety of hadrons in the background field method.

2006-03-01

309

Rapid Detection of Ofloxacin Resistance in Mycobacterium tuberculosis by Two Low-Cost Colorimetric Methods: Resazurin and Nitrate Reductase Assays  

UK PubMed Central (United Kingdom)

We have evaluated the performance of two rapid, low-cost methods for the detection of ofloxacin (OFX) resistance with 95 Mycobacterium tuberculosis isolates from countries with high...Full Text Available

2005-04-01

310

Principle of pulse frequency measurement and methods for improving frequency meters accuracy  

Energy Technology Data Exchange (ETDEWEB)

Specificity of the pulses mean frequency measurement (the pulses being generated in a stochastic process) is described. Status of the domain of analog frequency meters is presented. Methods of increasing accuracy of such meters are discussed.

1980-01-01

311

Principle of pulse frequency measurement and methods for improving frequency meters accuracy  

International Nuclear Information System (INIS)

Specificity of the pulses mean frequency measurement (the pulses being generated in a stochastic process) is described. Status of the domain of analog frequency meters is presented. Methods of increasing accuracy of such meters are discussed. (author).

1980-01-01

312

Possibility of applying the method of multiple attenuated total internal reflection to investigate adsorption on coal  

Energy Technology Data Exchange (ETDEWEB)

The possibility of studying the adsorption of acetic acid vapour on coal by the method of multiple attenuated total internal reflection by two proposed procedures has been shown.

1981-01-01

313

Polymer-cushioned bilayers. I. A structural study of various preparation methods using neutron reflectometry.  

UK PubMed Central (United Kingdom)

This neutron reflectometry study evaluates the structures resulting from different methods of preparing polymer-cushioned lipid bilayers. Four different techniques to deposit a dimyristoylphosphatidylcholine...Full Text Available

1999-09-01

314

Plantago ovata Mucilage in the Design of Fast Disintegrating Tablets  

UK PubMed Central (United Kingdom)

In the present work, fast disintegrating tablets of prochlorperazine maleate were designed with a view to enhance patient compliance by direct compression method. In this method mucilage of Plantago...Full Text Available

2009-01-01

315

Optimal Method of Coronary Revascularization in Patients Receiving Dialysis: Systematic Review  

UK PubMed Central (United Kingdom)

Background and objectives: Patients receiving dialysis have a high burden of cardiovascular disease. Some receive coronary artery revascularization but the optimal method is controversial.Design,...Full Text Available

2009-02-01

316

On the construction of approximations to continuous functions under integral boundary conditions  

British Library Electronic Table of Contents (United Kingdom)

On the basis of the resolvent of a simple differential operator, a method for finding approximations to continuous functions is constructed. In this method, both the approximated function and its approximations satisfy the given integral boundary condition.

2011-01-01

317

Nonnegative Factorization of Diffusion Tensor Images and Its Applications  

UK PubMed Central (United Kingdom)

This paper proposes a novel method for computing linear basis images from tensor-valued image data. As a generalization of the nonnegative matrix factorization, the proposed method aims to approximate...Full Text Available

2011-01-01

318

New methods for electronic structure calculations  

Energy Technology Data Exchange (ETDEWEB)

This thesis consists of five chapters, each of which is a self-contained unit. The first chapter overviews methods for electronic-structure calculations. Chapter 2 introduces a new method to generate a rapidly converging configuration expansion. The approach iteratively combines (1) a least-squares fitting of a configuration expansion to a many-body wave function with (2) a transfer-matrix method for projecting out the ground state. Results are shown to be equivalent to multiconfiguration Hartree-Fock. Results from test calculations are given for a simple finite difference model of the helium atom. In Chapter 3 the use of the finite-element method in electronic structure calculations is discussed. Chapters 4 and 5 discuss developments in Monte Carlo methods based on Hubbard-Stratonovich transformations. Chapter 4 introduces a canonical ensemble formulation of the ...

1988-01-01

319

Network security defence methods in IHEP  

International Nuclear Information System (INIS)

This article is about the network security defence method and technique at IHEP. Including: the experience, research result and application in network outlet security, server security, local network security, network security monitoring and collecting evidence, anti-virus etc

2002-12-01

320

Mine drainage treatment; Kogyo haisui shori  

Energy Technology Data Exchange (ETDEWEB)

The generation of acidic mine drainage is based on the oxidation dissolution of sulfide minerals due to the contact of ores with the natural water and the air. Namely, the sulfuric acid promotes the dissolution of sulfide minerals and gangue minerals, and Fe{sup 2+} is further oxidized to turn into Fe{sup 3+}, which acts as an oxidizer for other sulfide minerals and promotes the dissolution of the same. This paper roughly describes a mine drainage treatment focusing on an Fe{sup 2+} neutralization method and an iron bacteria oxidation method. The iron bacteria oxidation method is a method of oxidizing Fe{sup 2+} into Fe{sup 3+} by using iron bacteria, and then removing Fe{sup 3+} with calcium carbonate. This method has been used for treating the drainage in the Sakuhara Mine and the former Matsuo Mine, with good results. The paper finally introduces, as power-saving low-cost mine ...

1996-05-25

321

Method of pipe whip and impact analyses  

Energy Technology Data Exchange (ETDEWEB)

We successfully reproduce one of the French pipe whip experiments with the computer code WIPS. The WIPS results are in excellent agreement with the experimental data and the French computer code TEDEL. This justifies the use of its pipe element in conjunction with its U-bar element in a simplified method of impact analyses.

1983-11-21

322

Method of insulating bed water in an oil well  

Energy Technology Data Exchange (ETDEWEB)

A method is proposed for operating bed waters in an oil well by injecting silanes into the near-face zone. It is distinguished by the fact that in order to improve the effectiveness of insulation, the silanes used are silanes of general formula Si /SUB n/ H /SUB 2n-n/ .

1982-01-01

323

Method of describing dose distributions in computer design of teleradiotherapy  

International Nuclear Information System (INIS)

Method for description of X-ray radiation dose distribution based on semiempirical description of dose fields is suggested. At that dose field description parameters can be easily individualized for concrete X-ray device.

324

Method for inhibiting fouling of petrochemical processing equipment  

Energy Technology Data Exchange (ETDEWEB)

Method for inhibiting the formation of foulants on petrochemical equipment which involves adding to the petrochemical, during processing, a composition comprising a thiodipropionate and either a dialkyl acid phosphate ester or a dialkyl acid phosphite ester.

1980-10-07

325

Method and composition for acidizing subterranean formations  

Energy Technology Data Exchange (ETDEWEB)

The present invention relates to a method of acidizing a subterranean formation or well bore employing an acidic solution containing a corrosion inhibitor composition comprising an inhibiting effective amount of an acetylenic alcohol, a quaternary ammonium compound, an aromatic hydrocarbon and an antimony compound.

1985-02-12

326

Lie-algebraic approach to the problem of quasi-exact solubility in quantum mechanics  

Energy Technology Data Exchange (ETDEWEB)

In this paper method of constructing quasi-exactly solvable models of quantum mechanics is proposed. This method is based on the use of infinite-dimensional representations of simple and semi-simple Lie algebras.

1990-09-20

327

Iterative estimation of the background in noisy spectroscopic data  

Energy Technology Data Exchange (ETDEWEB)

In this paper, we present an iterative filtering method to estimate the background of noisy spectroscopic data. The proposed method avoids the calculation of the average full width at half maximum (FWHM) of the whole spectrum and the peak regions, and it can estimate the background efficiently, especially for spectroscopic data with the Compton continuum.

2009-04-21

328

Investigation and prediction of the severity of p53 mutants using parameters from structural calculations  

UK PubMed Central (United Kingdom)

A method has been developed to predict the effects of mutations in the p53 cancer suppressor gene. The new method uses novel parameters combined with previously established parameters. The most important...Full Text Available

2009-08-01

329

General order characteristic methods for solving neutron transport problems  

Energy Technology Data Exchange (ETDEWEB)

The neutron transport equation in Cartesian geometry possesses straight line characteristics along which the streaming operator can be written as a full differential in terms of the characteristic length. This idea was used by Lathrop to develop the step characteristic method, which he showed to be positive definite but less accurate than conventional Diamond-Difference schemes. Several authors since then have developed new methods utilizing the characteristic curves (including non-Cartesian geometry). A Linear Characteristic Method, based on a more consistent linear representation of the incoming-surface and within-cell angular flux, has been developed and tested in two-dimensional geometry producing highly accurate and computationally efficient results. A similar linear method, with several modifications, was developed for three-dimensional Cartesian geometry, and implemented in ORNL`s production code ...

1992-12-31

330

Fragment condensation of peptides on teflon with radiationally grafted polystyrene  

Energy Technology Data Exchange (ETDEWEB)

In the synthesis of the peptidyl-polymer corresponding to the sequence (57-100) of the ..beta.. chain of human hemoglobin on Teflon with radiationally grafted polystyrene a comparative study was made of different methods of fragment condensation. It was shown that the most effective methods are azide condensation and condensation with the use of complex F.

1986-12-10

331

Fragment condensation of peptides on teflon with radiationally grafted polystyrene  

International Nuclear Information System (INIS)

In the synthesis of the peptidyl-polymer corresponding to the sequence (57-100) of the #beta# chain of human hemoglobin on Teflon with radiationally grafted polystyrene a comparative study was made of different methods of fragment condensation. It was shown that the most effective methods are azide condensation and condensation with the use of complex F.

332

Flow Cytometry of Human Primary Epidermal and Follicular Keratinocytes  

UK PubMed Central (United Kingdom)

Objective: The aim of this study was to characterize using flow cytometry cultured human primary keratinocytes isolated from the epidermis and hair follicles by different methods. Methods:...Full Text Available

333

FY1995 transduction method and CAD database systems for integrated design; 1995 nendo transduction ho to CAD database togo sekkei shien system  

Energy Technology Data Exchange (ETDEWEB)

Transduction method developed by the research coordinator and Prof. Muroga is one of the most popular methods to design large-scale integrated circuits, and thus used by major design tool companies in USA and Japan. The major objectives of the research is to improve capability and utilize its reusable property by combining with CAD databases. Major results of the project is as follows, (1) Improvement of Transduction method : Efficiency, capability and the maximum circuit size are improved. Error compensation method is also improved. (2) Applications to new logic elements : Transduction method is modified to cope with wired logic and FPGAs. (3) CAD databases : One of the major advantages of Transduction methods is 'reusability' of already designed circuits. It is suitable to combine with CAD databases. We design CAD databases suitable for ...

1997-03-01

334

Expression and purification of a functional human hepatitis B virus polymerase  

UK PubMed Central (United Kingdom)

AIM: To identify a method for efficient large-scale purification of functional hepatitis B virus polymerase (HBV-Pol) without addition of cellular factors.METHODS: Full-length HBV-Pol (843 amino...Full Text Available

2010-12-07

335

Evaluation of the ERETIC Method as an Improved Quantitative Reference for 1H HR-MAS Spectroscopy of Prostate Tissue  

UK PubMed Central (United Kingdom)

The Electronic REference To access In vivo Concentrations (ERETIC) method was applied to 1H HR-MAS spectroscopy. The accuracy, precision, and stability of ERETIC as a quantitative...Full Text Available

2009-03-01

336

Evaluation of the Curve-fitting method and the Horner-plot method for estimation of the true formation temperature using temperature recovery logging data  

Energy Technology Data Exchange (ETDEWEB)

This paper describes the method to estimate the true formation temperature using temperature recovery logging data after the well reach to total depth (T.D.). The method designated as ''Curve-fitting method (CFM)'' is based on mathematical model proposed by Middleton (1979, 1982). The accuracy and applicability of this method are evaluated with several field data and compared advantageously with the Horner-plot method. Then, real-time data acquisition system including interpretation software has also been successfully developed. As a conclusion, the followings are confirmed: (1) The developed CFM can be applicable to the estimation of the true formation temperature even using 24 hours temperature recovery data, although the Horner-plot method might need up to 120 hours recovery data, usually. (2) Though depending upon the ...

1995-01-26

337

Estimation of incidence of poliomyelitis by three survey methods in different regions of the United Republic of Cameroon*  

UK PubMed Central (United Kingdom)

Surveys were conducted in one urban and two rural regions of the United Republic of Cameroon to estimate the annual incidence of paralytic poliomyelitis. Three different survey methods were used: a...Full Text Available

1983-01-01

338

ESR studies of spin-labeled membranes aligned by isopotential spin-dry ultracentrifugation: lipid-protein interactions.  

UK PubMed Central (United Kingdom)

Electron spin resonance (ESR) studies have been performed on spin-labeled model membranes aligned using the isopotential spin-dry ultracentrifugation (ISDU) method of Clark and Rothschild. This method...Full Text Available

1994-12-01

339

Ct3d: tracking microglia motility in 3D using a novel cosegmentation approach  

UK PubMed Central (United Kingdom)

Motivation: Cell tracking is an important method to quantitatively analyze time-lapse microscopy data. While numerous methods and tools exist for tracking cells in 2D time-lapse images,...Full Text Available

2011-02-15

340

Contribution to the radionuclide x-ray fluorescence analysis of human blood and plasma  

International Nuclear Information System (INIS)

A photon-induced x-ray fluorescence method allowing the simultaneous determination of iron, copper, zinc, bromine and rubidium in human blood and blood plasma samples is described. The method is reliable and has a good sensitivity for a wide range of elements. (author).

1986-04-01

341

Contingency Space Analysis: An Alternative Method for Identifying Contingent Relations from Observational Data  

UK PubMed Central (United Kingdom)

Descriptive assessment methods have been used in applied settings to identify consequences for problem behavior, thereby aiding in the design of effective treatment programs. Consensus has not been...Full Text Available

2008-01-01

342

Comparison of Different Measures of Urinary Protein Excretion for Prediction of Renal Events  

UK PubMed Central (United Kingdom)

There are many methods to screen for abnormal amounts of proteinuria to identify patients at risk for progression of renal disease, but which method best predicts renal risk is unknown. Here, we analyzed...Full Text Available

2010-08-01

343

Calculating plume rise above level of stack  

Energy Technology Data Exchange (ETDEWEB)

A method for calculating plume rise above stack level is presented. The equations set forth by Briggs, which are presently the most popular for such calculations, are discussed. A method using 2 nomographs, simplifying the calculations is given. (JMT)

1982-04-01

344

Automatic scene-adaptive pattern removal  

Energy Technology Data Exchange (ETDEWEB)

A new method for removing periodic background patterns from pictures is presented. The basic spatial frequency composition of the pattern is determined from an estimate of the power spectrum of the picture. A digital restoration filter is then created from a modified version of the power spectrum. The method is extremely effective and can be automated.

1982-01-01

345

Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock  

UK PubMed Central (United Kingdom)

BackgroundMolecular docking methods are commonly used for predicting binding modes and energies of ligands to proteins. For accurate complex geometry and binding energy estimation,...Full Text Available

346

Analysis of the Type IV Fimbrial-Subunit Gene fimA of Xanthomonas hyacinthi: Application in PCR-Mediated Detection of Yellow Disease in Hyacinths  

UK PubMed Central (United Kingdom)

A sensitive and specific detection method was developed for Xanthomonas hyacinthi; this method was based on amplification of a subsequence of the type IV fimbrial-subunit gene fimA...Full Text Available

2001-02-01

347

Adjusting for Health Status in Non-Linear Models of Health Care Disparities  

UK PubMed Central (United Kingdom)

This article compared conceptual and empirical strengths of alternative methods for estimating racial disparities using non-linear models of health care access. Three methods were presented...Full Text Available

2009-03-01

348

Adaptations of the Saker-Solomons test: simple, reliable colorimetric field assays for chloroquine and its metabolites in urine.  

UK PubMed Central (United Kingdom)

Two field-adapted colorimetric methods for measuring the antimalarial drug chloroquine in urine are described. Both are modifications of the method of Saker and Solomons for screening urine for phencyclidine...Full Text Available

1989-01-01

349

Absolute dimensions of unevolved O type close binaries  

Energy Technology Data Exchange (ETDEWEB)

A method is presented to derive the absolute dimensions of early-type detached binaries by combining the observed parameters with results of evolutionary computations. The method is used to obtain the absolute dimensions of nine close binaries. We find that most systems have an initial masss ratio near 1.

1984-03-15

350

A spectrophotometric method for the direct determination of cysteine in the presence of other naturally occurring amino acids  

UK PubMed Central (United Kingdom)

1. An acid ninhydrin reagent was found to react specifically in forming a pink product (Emax. 560mμ) with cysteine. 2. The method was highly sensitive for the determination...Full Text Available

1967-08-01

351

A method for acetic processing of an electric, centrifugal well pump  

Energy Technology Data Exchange (ETDEWEB)

In order to reduce the length and to increase the effectiveness of processing, the proposed method for acetic processing of an electric centrifugal well pump calls for covering the pressure line during the curing and periodically starting the pump.

1983-01-01

352

A Simplified Method for the Estimation of Nickel in Urine  

UK PubMed Central (United Kingdom)

A simplification of Sandell's method for estimating nickel in urine is described. Nickel is a normal constituent of most articles of food and between 0·01 and 0·03 p.p.m. are found in...Full Text Available

1960-07-01

353

A Multi-Method Process Evaluation for a Skin Cancer Prevention Diffusion Trial  

UK PubMed Central (United Kingdom)

This article describes process evaluation methods for the Pool Cool Diffusion Trial across four years. Pool Cool is a skin cancer prevention program that was...Full Text Available

2009-06-01

354

40 CFR 49.123 - General provisions.  

Science.gov (United States)

...specifications of ASTM Grade 1 or Grade 2 fuel oils in ASTM Method D396-04, Standard Specification for Fuel Oils (incorporated by reference, see...ASTM Grade 4, Grade 5, or Grade 6 fuel oils in ASTM Method D396-04,...

2009-07-01

356

Turbidimetric determination of sulfite ion in inhibited ethylene glycol-water solutions  

Science.gov (United States)

Turbidimetric method for determining sulfite in inhibited ethylene glycol-water solutions

1970-01-01

357

Tritium Oxide Content Control  

International Science & Technology Center (ISTC)

Development of Method and Technical Project of the Plant for Thermo-Vacuum Desorption of Tritium Oxide (HTO) from the Environmental Samples

359

Three-dimensional image display of brain tumor utilizing a modified voxel method  

Energy Technology Data Exchange (ETDEWEB)

The patch and voxel methods are representative examples of the ways in which multi-slice images may be displayed three-dimensionally by means of computer-graphics. Each of them have advantages and disadvantages and they are mutually complementary. We have developed algorithms for a modified voxel method which incorporates the advantages of the patch methods. We have applied this to the three-dimensional image display of brain tumor with excellent results. The three-dimensional reconstructions used for clinical application in this study were derived from X-ray CT images.

1988-08-01

360

The Application of Simulation Methods to Intra-Airport ...  

Science.gov (United States)

... Descriptors : *Terminal flight facilities, *Traffic ... Ground support, Queueing theory, Passengers ... Delay, Assessment, Stochastic processes, Ground ...

1975-09-01

361

The Analytic Methods of Operations Research  

Science.gov (United States)

... of the utility of the terminal outcomes, ... Other stochastic topics, such as random walks, branching ... find special uses, particularly in queueing theory ...

1977-01-01

363

Study of vibrational relaxation in the active medium of a CO/sub 2/-laser by the phase-absorption method  

Energy Technology Data Exchange (ETDEWEB)

The authors attemps to confirm a modification of the phase-absprotion method applicable to the study of the decay rate of energy stored in the upper level in the active medium of a CO/sub 2/-laser. The essence of the method is described. Relationships are determined which allow one to obtain the unknown parameters of the experimentally measured phase shift. The work exeprimentally shows the possibility of studying vibratioanl relaxation in the active medium of a CO/sub 2/-laser by the phase-absorption method using both ordinary and isotope-substitued molecules.

1986-09-01

364

Study of #beta#"- decay of "1"0"1Mo and "1"0"1Tc nuclei  

International Nuclear Information System (INIS)

... radioisotopes coincidence methods energy-level transitions gamma radiation

1998-09-08

365

Structure of Irradiated Materials  

International Science & Technology Center (ISTC)

Fundamental Research of Materials Structure and Properties Changes Resulted from Irradiation by Means of Complex of Modern Physical Methods

366

Structural, Vibrational and Mechanical Studies of Hydroxyapatite produced by wet-chemical methods  

CERN Document Server

Hydroxyapatite samples were produced by two different wet-chemical methods, and characterized by x-ray diffraction, infrared and compression strength measurements. The x-ray diffraction measurements were simulated using the Rietveld method, and structural data as lattice parameters and average crystallite size were obtained. The infrared spectra showed the presence of CO$_3^{2-}$ ions in all samples, indicating a contamination by these ions. By mixing samples produced by both methods, a bioceramic was obtained and, after sintering, samples with very high compression strengths (26--30 MPa) were obtained.

2004-01-01

367

Shielded and unshielded geometries in the search for orphan sources  

Energy Technology Data Exchange (ETDEWEB)

A car-borne NaI(Tl) spectrometric system was used together with a {sup 137}Cs source to obtain realistic data in the search for unshielded and semi-shielded orphan sources. The potassium-stripped counts (PSC) method was used to estimate the influence by the shielding on the detection ability. A reduction of about 5% in the critical distance was obtained for the semi-shielded source. A curve fitting method was also developed and evaluated. Results from the curve fitting method showed inferior ability to find the source compared to the PSC method. However, it can be a useful complementary tool, for characterisation of the source shielding, and estimation of the distance from the road.

2006-05-15

368

Shielded and unshielded geometries in the search for orphan sources  

International Nuclear Information System (INIS)

A car-borne NaI(Tl) spectrometric system was used together with a "1"3"7Cs source to obtain realistic data in the search for unshielded and semi-shielded orphan sources. The potassium-stripped counts (PSC) method was used to estimate the influence by the shielding on the detection ability. A reduction of about 5% in the critical distance was obtained for the semi-shielded source. A curve fitting method was also developed and evaluated. Results from the curve fitting method showed inferior ability to find the source compared to the PSC method. However, it can be a useful complementary tool, for characterisation of the source shielding, and estimation of the distance from the road.

2006-05-01

369

Security control methods for CEDR  

Energy Technology Data Exchange (ETDEWEB)

The purpose of this document is to summarize the findings of recent studies on the security problem in statistical databases and examine their applicability to the specific needs of CEDR. The document is organized as follows: In Section 2 we describe some general control methods which are available on most commercial database software. In Section 3 we provide a classification of statistical security methods. In Section 4 we analyze the type of users of CEDR and the security control methods which may be applied to each type. In Section 5 we summarize the findings of this study and recommend possible solutions.

1990-09-01

370

Researches on gear fault diagnosis techniques  

Science.gov (United States)

Seeking effective methods is one of the most important goals in machinery fault diagnosis. The effective methods for gear fault diagnosis have been successively developed in our Institute. This paper is a comprehensive treatise based on our research work of recent years. A mathematical model of vibration signals for defective gears is physically described. Five effective new methods for gear fault diagnosis, such as zoom complex envelope analysis, wideband demodulation technique, bispectrum analysis, correlative spectrum analysis, and maximum entropy spectrum analysis for phase modulated signals, are summarily presented. The listed illustrations prove sufficiently the validation of these methods.

1993-05-01

371

Reliable dates for the last 50.000 years; Des dates fiables pour les 50 000 dernieres annees  

Energy Technology Data Exchange (ETDEWEB)

The accuracy of the carbon 14 dating method is dependent on the fluctuations of carbon 14 in the atmosphere over long periods of time. Fossil corals that are dated by both carbon 14 and uranium-thorium methods allows the setting of calibration curves for the carbon 14 method for the last 50.000 years. The uranium-thorium method is based on the measurement of the ratio of 2 isotopes: thorium 230 and uranium 234 that are both present in the decay chain of uranium 238. (A.C.)

2004-03-01

372

Refractometry of organosilica microspheres  

CERN Document Server

The refractive index of novel organosilica (nano/micro)material is determined using two methods. The first method is based on analysis of optical extinction efficiency of organosilica beads versus wavelength, which is obtained by a standard laboratory spectrometer. The second method relies on the measurable trapping potential of these beads in the focused light beam (laser tweezers). Polystyrene beads were used to test these methods, and the determined dispersion curves of refractive index values have been found accurate. The refractive index of organosilica beads has been determined to range from 1.60-1.51 over the wavelength range of 300-1100 nm.

2007-01-01

373

Probabilistic Simulation for Nanocomposite Characterization Developed and Included in the Computer Code ICAN/JAVA  

Science.gov (United States)

A unique mechanistic method has been developed at the NASA Glenn Research Center to

2008-01-01

375

Prediction of motions and tension in mooring lines on slack-moored floating oceanic architectural building in coastal zones  

Energy Technology Data Exchange (ETDEWEB)

The present paper is concerned with the prediction method for the motions and tensions of mooring lines on slack-moored floating oceanic architectural building in coastal zone. The motions and the tensions of mooring lines were estimated by the time domain numerical simulation in the present method. The present method includes the nonlinearity of mooring system, slow varying wave drift force. The authors performed a time domain numerical simulation for motions and the tensions of mooring lines on floating barge in two component waves. Also, the results obtained by numerical simulation were compared with the experimental results. The validity of the present method was confirmed.

1995-12-31

376

Practical measurement of diffusion constants in sintered zirconias by using a light-scattering method  

Energy Technology Data Exchange (ETDEWEB)

A practical method to determine the ionic diffusion coefficient and activation energy by using quasielastic light scattering (QELS) is presented. It is shown that a temperature dependence curve of the QELS intensity at a fixed frequency can be well fitted by Jonscher's formula and that the diffusion parameters can be obtained from this curve fitting. This method is successfully applied not only to crystals with high optical quality, as reported earlier, but also to opaque ceramics, which are more important than the crystals from a practical point of view. The composition dependence of the ionic diffusion coefficient is studied in sintered YbSZ to show the usefulness of this method.

1991-03-01

377

PowerPoint Presentation  

Wastenet

facilities, building hygienic latrines and introducing regular solid waste collection systems . These methods are constantly being developed and

380

Optimization technique for the design of a linear optimal power system stabilizer  

Energy Technology Data Exchange (ETDEWEB)

A systematic optimization method of choosing the weighting matrix in linear optimal control system design, under the conditions of prespecified closed-loop dominant eigenvalue locations and feedback gain limit constraints, is presented in this paper. Studies show that with the proposed method one can obtain the desired weighting matrix very quickly and conveniently without the heavy burden of choosing a suitable weighting matrix by trail and error. This method can also easily achieve a reduced-order feedback control system. The linear optimal power system stabilizer designed by using the proposed method produces very good performance.

1992-09-01

381

Optimization of cleaning timing and load allocation in steam generator management  

Energy Technology Data Exchange (ETDEWEB)

A method for cleaning timing optimization in a parallel steam generator system is described. The method is based on the minimization of a suitable objective function, and takes into account the load allocation on steam generators. In order to establish appropriate fouling growth models the mechanism of the particle deposition and removal on heat transfer surfaces is analyzed. The objective function is related to the short time management costs which are based on depreciation of steam generators, fuel costs and the costs of cleaning interventions. The optimization problem is described; a direct one level method is compared with a two level method. Some applications and their results are reported and discussed. (author)

1998-03-01

382

Nondestructive testing of metal coating thickness and control of chemical composition using radionuclide X-ray fluorescence analysis  

International Nuclear Information System (INIS)

The principle is described of a method using low-activity emitters as the primary radiation source for analysis. The selection of the radiation source and the detection methods including the assessment of the applicability of various radiation detectors are discussed. The benefits and the constraints of the method are considered. Practical examples are presented showing the application possibilities of the method for testing the thickness of bearing layers, piston ring coats, lead layers, etc. The possibility is shown of applying the rapid test for the composition of tungsten and chromium alloyed metal materials in testing complex systems. (J.K.).

1974-12-03

383

New method for determining the energy gap of a superconductor using the maximum in differential conductance of the electron tunneling spectrum  

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

384

New method for determining the energy gap of a superconductor using the maximum in differential conductance of the electron tunneling spectrum  

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.

385

New method for determining the energy gap of a superconductor using the maximum in differential conductance of electron tunneling spectrum  

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

386

NI\\SI\\ - NASA Technical Reports Server  

Science.gov (United States)

A calorimeteric method for determining total hemispherical emittance of ... the standard deviation in the total hemispherical emittance value ...

387

Method for the approximate solution of a two-phase stefan problem with reverse motion of the front  

Science.gov (United States)

Determination of the trajectory of a phase transition front moving in a forward or reverse direction is reduced to the solution of an ordinary differential equation. A numerical check of the results shows the method to be highly accurate. The method was used recently over a period of several years to solve various problems connected with the thawing of frozen rocks and their refreezing; among the problems considered was that of the ablation of rocks during the channeling of well, in which the method invariably proved its effectiveness. This furnishes a basis for recommending it for broader usage.

1988-03-01

388

Method for design of working face operation in black coal mines  

Energy Technology Data Exchange (ETDEWEB)

Methods are discussed for optimization of organizational model of longwall mining. Operations at a working face, their duration, number of miners, miner qualifications are analyzed. The so-called method for allocation of heteregeneous resources is used. Using the method optimum organizational models of working faces are constructed. The models consider working conditions, coal output, personnel, miner qualifications, duration of various operations and of idletime, and safety regulations. A computer code developed by the author for optimizing organizational models of longwall mining is described. 9 refs.

1983-01-01

390

Mathematical analysis of DNA histograms from asynchronous and synchronous cell populations  

Science.gov (United States)

A technique is presented for the analyss of DNA histograms which is an extension of earlier discrete Gaussian summing methods. It alleviates the problems encountered with previous methods by extending the S-phase portions of the distribution under the G/sub 1/ and G/sub 2/ + M peaks. The resuts obtained by this method for the fraction of cells in the G/sub 1/, S, and G/sub 2/ + M phases of the life cycle are compared with autoradiographic results. With one or two exceptions which are discussed, agreement between autoradiography and the analytical method is good.

1977-01-01

392

MAY 1988. - NASA Technical Reports Server  

Science.gov (United States)

disciplinary methods were used to independently determine the aerodynamic loads, the thermal response, and strardural performance of the hydrogen cooled ...

393

Laser-Based Method for Docking an Unmanned Underwater ...  

Science.gov (United States)

... space vehicles, robot and machine guidance systems, and in various types of autonomous UUV docking situations. Page 3. ...

2010-02-08

394

JPRS Report. Soviet Union: World Economy & International ...  

Science.gov (United States)

... in the processes of production and, partic- ularly, product distribution and also by the increase in directive and disciplinary methods of intervention ...

1989-05-13

395

Investigation of W"1"7"7 decay scheme by #gamma##gamma#-coincidence method  

International Nuclear Information System (INIS)

... coincidence spectrometry decay excited states gamma spectra half-life

1973-01-29

396

Instructional Methods for Neuroscience in Nurse Anesthesia ...  

Science.gov (United States)

... classes or courses. The Council on Certification of Nurse Anesthetists (CCNA) expects every ... While reviewing the CCNA outline ...

1999-10-01

399

Geometric and topological methods for quantum field theory  

CERN Document Server

An introduction to recent developments in several active topics at the interface between algebra, geometry, topology and quantum field theory

2010-01-01

400

Fibrillation of Commercial Acrylic Fiber for Use in Combustible Cartridge Cases.  

Science.gov (United States)

A production method was developed to fibrillate commercial acrylic fiber suitable for the manufacture of combustible cartridge cases.

1983-01-01

402

ECONOMICS OF RELIABILITY IMPROVEMENT FOR SPACE ...  

Science.gov (United States)

... Pagination or Media Count : 205. Abstract : Present methods for planning reliability improvement of launch vehicles are reviewed. ...

1968-06-01

403

Development of an analysis rule of diagnosis error for standard method of human reliability analysis  

International Nuclear Information System (INIS)

This paper presents the status of development of Korea standard method for Human Reliability Analysis (HRA), and proposed a standard procedure and rules for the evaluation of diagnosis error probability. The quality of KSNP HRA was evaluated using the requirement of ASME PRA standard guideline, and the design requirement for the standard HRA method was defined. Analysis procedure and rules, developed so far, to analyze diagnosis error probability was suggested as a part of the standard method. And also a study of comprehensive application was performed to evaluate the suitability of the proposed rules.

2003-10-01

404

Development of a topology optimization program considering density and homogeni-zation methods  

British Library Electronic Table of Contents (United Kingdom)

In most previous studies of topology optimization, commercial programs, such as Optistruct, ANSYS, and MSC Patran, usually were used during implementation. Such commercial programs are not easy to use and entail time and cost. In addition, it is difficult to confirm results with reference to individual stages of optimization. For addressing this disadvantage, a topology optimization program, which is based on the C language, is developed in this study. This is a very convenient and powerful program for users to conduct topology optimization by using all density methods and homogenization methods in compliance with the methodology. For verifying the developed program, first of all, topology optimization was implemented by using density methods to evaluate the strain energy density of a cant...

2011-01-01

405

Developing methods for testing and monitoring packing, detachable connections used in well geophysical apparatus. O razrabotke metodov ispytaniy i kontrolya uplotnitel'nykh raz''yemnykh soyedineniy, primenyayemykh v skvazhinnoy geofizicheskoy apparature  

Energy Technology Data Exchange (ETDEWEB)

Development of surface monitoring of the quality of round rubber packing rings for well instruments is discussed. A method is shown for testing the rings under conditions which simulate the operating conditions. A method is proposed for rapid monitoring of the conditions for vulcanization of the rings by the method of determining the ''ring modulus.''

1983-01-01

407

Damage characteristics of time domain histories  

Energy Technology Data Exchange (ETDEWEB)

It is possible to create nomographs similar to Fig. 2.10 to characterise damage potential of candidate time histories, provided there exists extensive records of earlier time-histories and the damage that they have caused. Thus in order to create such nomographs, one needs the correlated documentation between the input to the structure and the resulting damage. In order to use the Response-Spectra approach, one needs good statistical description of the input to the system. Extensive literature exists on both these methods. The MAC method that has being developed for the present research has yet to be validated. However, if it is successful, it would provide a valuable link between the SEA method and the rational method.

1989-11-01

408

Connections  

Science.gov (United States)

... many intriguing new possibilities in the materials sciences. Or consider solitons, a mathematical ... point out that advanced instrumentation, new materials, novel production methods, and efficient ...

409

Congestion cost allocation method in a pool model  

International Nuclear Information System (INIS)

The congestion cost caused by transmission capacities and voltage limit is an important issue in a competitive electricity market. To allocate the congestion cost equitably, the active constraints in a constrained dispatch and the sequence of these constraints should be considered. A multi-stage method is proposed which reflects the effects of both the active constraints and the sequence. In a multi-stage method, the types of congestion are analysed in order to consider the sequence, and the relationship between congestion and the active constraints is derived in a mathematical way. The case study shows that the proposed method can give more accurate and equitable signals to customers. (Author)

2003-09-01

413

Complex fluid analysis with the advanced distillation curve approach.  

Science.gov (United States)

An improved method for measuring distillation curves reveals the physicochemical properties of complex fluids such as fuels. PMID:20041713

2010-02-01

415

Automatic optimal feeder design in steel casting process  

British Library Electronic Table of Contents (United Kingdom)

A method for automatic optimal feeder design in steel casting processes is presented. The initial design is the casting part (without feeders) which is placed in a suitable mold box. Design of each feeder contains the following steps: determination of the feeder-neck connection point on the casting surface, initial feeder design, feeder shape optimization and feeder topology optimization. Completing designing the first feeder, the method attends to designing the next one, if it is required, and the same procedure will be repeated. In the presented method, feeders are designed in a descending order of their sizes. The feasibility of the presented method is supported with an illustrative example.

2008-01-01

416

Application of the combined integral method to Stefan problems  

British Library Electronic Table of Contents (United Kingdom)

In this paper we present a new, accurate form of the heat balance integral method, termed the combined integral method (CIM). The application of this method to Stefan problems is discussed. For simple test cases the results are compared with exact and asymptotic limits. In particular, it is shown that the CIM is more accurate than the second order, large Stefan number, perturbation solution for a wide range of Stefan numbers. In the initial examples it is shown that the CIM reduces the standard problem, consisting of a PDE defined over a domain specified by an ODE, to the solution of one or two algebraic equations. The latter examples, where the boundary temperature varies with time, reduce to a set of three first order ODEs.

2011-01-01

417

Application of the IPEBS method to dynamic contingency analysis  

Energy Technology Data Exchange (ETDEWEB)

Dynamic contingency analysis is certainly a demanding task in the context of dynamic performance evaluation. This paper presents the results of a test for checking the contingency screening capability of the IPEBS method. A brazilian 1100-bus, 112-gen system was used in the test; the ranking of the contingencies based on critical clearing times obtained with IPEBS, was compared with the ranking derived from detailed time-domain simulation. The results of this comparison encourages us to recommended the use of the method in industry applications, in a complementary basis to the current method of time domain simulation. (author) 5 refs., 1 fig., 2 tabs.

1994-12-31

418

Allowable variation of cold-rolled strip transverse profiles in high tension  

Science.gov (United States)

The formation mechanism of the cold-rolled strip shape with high tension was studied. An advanced method to calculate the allowable variation of strip transverse profiles was established by the strip buckling criterion, which can be more properly used in cold rolling. With this method, the aim allowable variation of the product strip transverse profile and the required transverse profile range of incoming strips can be reached. Besides, this method has been successfully applied in a domestic tandem cold mill, and the transverse profile range of incoming strips suggested with this method is more practicable and complete. Consequently, the good performance is acquired.

2010-10-01

419

Accommodation, Acuity, and their Relationship to Emmetropization in Infants  

UK PubMed Central (United Kingdom)

PurposeTo evaluate the relationship between accommodation, visual acuity, and emmetropization in human infancy.MethodsFull Text Available

2009-06-01

420

A versatile method for estimating the characteristics of radon transport in soil  

Energy Technology Data Exchange (ETDEWEB)

A versatile method for estimating the characteristics of radon transport in soil is developed. The method allows the following characteristics to be estimated: depth distribution function of the soil gas radon concentration, equilibrium radon concentration in the soil air, depth at which the radon concentration reaches its equilibrium value, radon flux density from the Earth's surface, and convective radon transport velocity. The method is based on soil gas radon concentration measurements and is appropriate in the case of relatively uniform geology. (orig.)

2003-07-01

422

A method for resummation of perturbative series based on the stochastic solution of Schwinger-Dyson equations  

CERN Document Server

We propose a numerical method for resummation of perturbative series, which is based on the stochastic perturbative solution of Schwinger-Dyson equations. The method stochastically estimates the coefficients of perturbative series, and incorporates Borel resummation in a natural way. Similarly to the "worm" algorithm, the method samples open Feynman diagrams, but with an arbitrary number of external legs. As a test of our numerical algorithm, we study the scale dependence of the renormalized coupling constant in a theory of one-component scalar field with quartic interaction. We confirm the triviality of this theory in four and five space-time dimensions, and the instability of the trivial fixed point in three dimensions.

2011-01-01

423

A Two-Step Etching Method to Fabricate Nanopores in Silicon  

CERN Document Server

A cost effectively method to fabricate nanopores in silicon by only using the conventional wet-etching technique is developed in this research. The main concept of the proposed method is a two-step etching process, including a premier double-sided wet etching and a succeeding track-etching. A special fixture is designed to hold the pre-etched silicon wafer inside it such that the track-etching can be effectively carried out. An electrochemical system is employed to detect and record the ion diffusion current once the pre-etched cavities are etched into a through nanopore. Experimental results indicate that the proposed method can cost effectively fabricate nanopores in silicon.

2008-01-01

424

25th Space Simulation Conference. Environmental Testing: The Earth-Space Connection  

Science.gov (United States)

Topics covered include: Methods of Helium Injection and Removal for Heat Transfer Augmentation; The

2008-01-01

425

222Rn exhalation rate from Egyptian building materials using active and passive methods  

International Nuclear Information System (INIS)

... Sciences, Research Center for Radiation Protection, Chiba (Japan) Hafez,

2009-03-01

426

/linkages/journal/ Volume 6 Number 8  

Wastenet

The Commission also agreed on new guidelines for organic livestock production, supporting natural breeding methods and

427

XRF and PIXE analysis of metallic glasses  

International Nuclear Information System (INIS)

Radionuclide X-ray fluorescence and particle induced X-ray emission methods were used for a rapid and nondestructive analysis of metallic glasses. The methods are compared in accuracy and precision with the atomic absorption method. Some results of analyses of Fe_xNi_8_0_-_xB_2_0 materials are briefly reviewed. The distribution of elements along the width and length, and a qualitative analysis of the composition of material surfaces are considered. (author) 3 refs.

1987-05-01

428

Wear measurements at railway wheel treads and brake discs with the radiometric thin-layer difference method  

International Nuclear Information System (INIS)

The investigation of important wear processes in the railway technique, especially the differentiation of the parameters influencing the wear process, requires extensive test programmes and thus high resolving methods to determine the wear. Radiometric methods enable considerably greater measuring accuracy with the help of the activation of materials than an observation of measurement or measuring changes. (orig./LH).

1975-04-03

429

Validation of cyanoacrylate method for collection of stratum corneum in human skin for lipid analysis  

DEFF Research Database (Denmark)

Lipids in the stratum corneum (SC) are of major importance for the skin barrier function. Many different methods have been used for the collection of SC for the analysis of SC lipids. The objective of the present study was to validate the cyanoacrylate method for the collection of SC in relation to lipid analysis.

2010-01-01

430

Use of the acoustic method for checking the quality of concrete of hydroelectric and pumped storage stations  

Energy Technology Data Exchange (ETDEWEB)

This article describes acoustic methods used in the in-service inspection of the dams and peripheral concrete structures of the Toktogul, Kurpsai, and Bratsk hydroelectric and pumped storage plants. The tests were conducted to assess the compression strength, elasticity, and tensile strength of the concretes. Comparative evaluations against drill core studies proved the acoustic methods to be sufficiently accurate in predicting aging behavior and loss of mechanical and physical integrity in the concretes.

1987-09-01

431

Unsteady transonic flow computations for AGARD two dimensional and three dimensional aeroelastic configurations  

Science.gov (United States)

Numerical results on aeroelastic standard configurations are presented. The methods used for two dimensional configurations include the small perturbations approach for inviscid flow, coupling methods for unseparated flow, coupling methods for unseparated or separated, laminar or turbulent boundary layers, and a numerical solution of the Euler equations for inviscid flow. The three dimensional configurations are studied by the transonic small disturbance approach. The detailed results are given.

1986-12-01

432

Theoretical review of techniques for the remote detection of methane in underground coal mines  

Energy Technology Data Exchange (ETDEWEB)

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

1983-01-01

433

The detection and characterization of natural fractures using P-wave reflection data, multicomponent VSP, borehole image logs and the in-situ stress field determination  

Energy Technology Data Exchange (ETDEWEB)

The objectives of this project are to detect and characterize fractures in a naturally fractured tight gas reservoir, using surface seismic methods, borehole imaging logs, and in-situ stress field data. Further, the project aims to evaluate the various seismic methods as to their effectiveness in characterizing the fractures, and to formulate the optimum employment of the seismic methods as regards fracture characterization.

1995-04-01

434

The analysis of coupled heat and particle transport in Tokamaks by means of Fourier transform  

Energy Technology Data Exchange (ETDEWEB)

A method to deduce the 2 x 2 transport matrix for coupled heat and particle transport in Tokamaks is proposed. The method applies to perturbative experiments, and is based on a Fourier transform of the measured signals of temperature and density. By analyzing different linear combinations of temperature and density, the eigenvectors and eigenvalues of the transport matrix are determined. The method is tested for a number of illustrative cases using simulated data, and the sensitivity to noise on the signals is evaluated. (author).

1992-04-01

435

Study on reactivity measurement by the Feynman-#alpha# method  

International Nuclear Information System (INIS)

The Feynman-#alpha# method was applied to measurement of reactivity and the ability of this method for a real-time reactivity monitoring system was assessed. In the experiment, all measured data by BF_3 detectors were stored in a multi-channel scaler controlled by a personal computer, and they were analyzed to obtain prompt neutron decay constant (#alpha#) and reactivity with consideration of dead time of detector. It was found that #alpha# could be obtained almost in a real-time even for both positive and negative reactivities by the present experimental technique. (author).

1996-09-01

436

Simulation of the skim-off method in radon measurement by activated charcoal  

Energy Technology Data Exchange (ETDEWEB)

Simulation of the skim-off method for radon measurement by activated charcoal has been carried out by the finite elements method. The variation of radon concentration with peak appearance has been simulated. The thickness of the layer of charcoal removed after exposure and the time of peak appearance have been varied. For the charcoal and canister geometry used, the best results were found when the thickness of the layer removed was 1.72 mm.

2001-07-01

437

Self-correcting Multigrid Solver  

Energy Technology Data Exchange (ETDEWEB)

A new multigrid algorithm based on the method of self-correction for the solution of elliptic problems is described. The method exploits information contained in the residual to dynamically modify the source term (right-hand side) of the elliptic problem. It is shown that the self-correcting solver is more efficient at damping the short wavelength modes of the algebraic error than its standard equivalent. When used in conjunction with a multigrid method, the resulting solver displays an improved convergence rate with no additional computational work.

2004-06-29

438

Selection of dimensions of scintillation detectors and of the correction energy with the use of the dual energy method in computerized tomography  

Science.gov (United States)

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

439

Plagiarism Detection in arXiv  

CERN Document Server

We describe a large-scale application of methods for finding plagiarism in research document collections. The methods are applied to a collection of 284,834 documents collected by arXiv.org over a 14 year period, covering a few different research disciplines. The methodology efficiently detects a variety of problematic author behaviors, and heuristics are developed to reduce the number of false positives. The methods are also efficient enough to implement as a real-time submission screen for a collection many times larger.

2007-01-01

440

Optimization of lead content in bismuth (2223) superconductor  

International Nuclear Information System (INIS)

In the present study the Pb content in Bi(2223) phase by regression or curve fitting method are optimized. The best fitting curve can be obtained by the method of least square. To study the effect of Pb content in Pb substituted Bi (2223) superconductors, prepared by solid state reaction method data is obtained. The deviation of T_c from the target value for different Pb content is summarized

2003-01-29

441

Off-line and on-line-monitoring of power transformers using the transfer function method  

Energy Technology Data Exchange (ETDEWEB)

The transfer function concept is well known as an additional method to evaluate the impulse test of power transformers in the test laboratory. Another application for the transfer function method is monitoring of transformers in service. Thereby, Off-line and On-line monitoring can be realized. Both kinds of monitoring are demonstrated with on-site measurements on a power transformer in service.

1996-12-31

442

Nuclear methods monitor nutrition  

International Nuclear Information System (INIS)

Neutron activation of nitrogen and hydrogen in the body, the isotope dilution technique and the measurement of naturally radioactive potassium in the body are among the new nuclear methods, now under collaborative development by the Australian Nuclear Scientific and Technology Organization and medical specialists from several Sydney hospitals. These methods allow medical specialists to monitor the patient's response to various diets and dietary treatments in cases of cystic fibrosis, anorexia nervosa, long-term surgical trauma, renal diseases and AIDS. ills.

443

Novel Method for Processing Respiratory Specimens for Detection of Mycobacteria by Using C18-Carboxypropylbetaine: Blinded Study  

UK PubMed Central (United Kingdom)

A novel method for processing respiratory specimens to improve culture and acid-fast staining of mycobacteria is introduced. This new method utilized N,N-dimethyl-N-(n-octadecyl)-N-(3-carboxypropyl)ammonium...Full Text Available

1998-07-01

444

NAME=\\  

Wastenet

...), The SAGE Encyclopaedia of Social Science Research Methods, London: Sage Publications. Corti, L. (2003) 'Data Archives' ...), The SAGE Encyclopaedia of Social Science Research Methods, London: Sage Publications. Corti, L. and Barker, E. ...), The SAGE Encyclopaedia of Social Science Research Methods, London: Sage Publications. Corti, L. (2003) 'Qualitative Research ...

445

Molecular methods  

Energy Technology Data Exchange (ETDEWEB)

Chapter 5, describes some of the most important molecular methods used in the study of chromosome structure and function. The methods discussed include fragmentation of DNA, cloning, flow cytometry and chromosome sorting, is situ hybridization, polymerase chain reaction (PCR), and yeast artificial chromosomes (YACs). 18 refs., 3 figs., 1 tab.

1993-12-31

446

Microfluidic systems and methods for transport and lysis of cells and analysis of cell lysate  

Energy Technology Data Exchange (ETDEWEB)

Microfluidic systems and methods are disclosed which are adapted to transport and lyse cellular components of a test sample for analysis. The disclosed microfluidic systems and methods, which employ an electric field to rupture the cell membrane, cause unusually rapid lysis, thereby minimizing continued cellular activity and resulting in greater accuracy of analysis of cell processes.

2008-09-02

447

Method of defining features on materials with a femtosecond laser  

Energy Technology Data Exchange (ETDEWEB)

The invention relates to a pulsed laser ablation method of metals and/or dielectric films from the surface of a wafer, printed circuit board or a hybrid substrate. By utilizing a high-energy ultra-short pulses of laser light, such a method can be used to manufacture electronic circuits and/or electro-mechanical assemblies without affecting the material adjacent to the ablation zone.

2006-05-23

448

Influence of lanthanum (x) concentration on the properties of x/65/35 PLZT electroceramics  

International Nuclear Information System (INIS)

Lead lanthanum zirconate titanate (PLZT) nanopowders with chemical compositions x/65/35 PLZT (x = 6 - 10 mol%) were prepared by sol-gel method. PLZT ceramics was obtained by the conventional sintering method and utilizing the hot pressing method. The investigations of dielectric and ferroelectric measurements of as obtained PLZT ceramics have revealed the influence of lanthanum concentration on the properties of PLZT electroceramics. (author)

2003-09-25

449

Gamma absorption determination of concentration in a three-component mixture  

International Nuclear Information System (INIS)

A method for the analysis of three-component mixtures is described. The method is used for contact-free determination of component concentration in the mixtures transported via a product duct. Formulae as an aid in choosing the gamma radiation source and estimating the efficiency of measurement are given. The errors of measurement by the method of formaline-water-carbamide mixture is 1-2 %. 9 refs.; 1 fig.

450

Fractal dimensions of lanthanum ferrite samples by adsorption isotherm method  

Energy Technology Data Exchange (ETDEWEB)

Fractal dimensions of three different samples of lanthanum ferrite were computed using single adsorption method. The fractal Dubinin-Radushkevitch isotherm was used to fit directly the experimental nitrogen adsorption data. Avnir-Jaroniec method for fractal dimension determination was also used. Low and intermediate fractal dimensions were obtained according to BET specific surface areas.

2003-12-30

451

Fault diagnosis of rolling bearing based on cyclic spectrum density  

International Nuclear Information System (INIS)

The paper considered the vibration signals of rotating equipment as cyclo stationary signals through analyzing the features of this kind of signals. Based on the analytic method of cyclic spectrum density, the paper pointed out that the impact frequency could be extracted effectively with the help of scanning cyclic frequency domain. The validity of the method of cyclic spectrum density is proved by simulating signals and the method is applied to the diagnosis of rolling bearings. (authors)

2009-09-01

452

Ewald sphere correction for single-particle electron microscopy  

Energy Technology Data Exchange (ETDEWEB)

Most algorithms for three-dimensional (3D) reconstruction from electron micrographs assume that images correspond to projections of the 3D structure. This approximation limits the attainable resolution of the reconstruction when the dimensions of the structure exceed the depth of field of the microscope. We have developed two methods to calculate a reconstruction that corrects for the depth of field. Either method applied to synthetic data representing a large virus yields a higher resolution reconstruction than a method lacking this correction.

2006-03-15

453

Eddy current testing of CFRP; New probes and techniques. Wirbelstrompruefung von Kohlefaser-Kompositen; Neue Sonden und Messverfahren  

Energy Technology Data Exchange (ETDEWEB)

Nondestructive inspection of carbon fibre-reinforced plastics (CRFP) using eddy current methods is based not only on the conductivity of the fibres. High frequencies (up to 10 MHz) give access to capacitive effects reflecting properties of the matrix. The paper presents a method using rotating eddy current probes to measure the anisotropic electrical properties. Potential applications of this method are the structural identification of laminates and the estimating of its degradation. (orig.)

1994-01-01

454

Determining the boundary between underground and open pit mining at the deposits of the Far North  

Energy Technology Data Exchange (ETDEWEB)

The question about expanding the boundaries of the open pit mining method is examined. The use of methods which consider the advantages of open and underground mining operations with their joint use in horizontal and evenly dipping deposits will make it possible to objectively select the mining method, to expand the range of use of open pit mining operations in the deposits of the Far North and provide an improvement in the technical and economic indicators of mineral extraction.

1984-01-01

455

Determination of lead in soil samples by "2"0"3Pb radioisotope dilution substoichiometric method  

International Nuclear Information System (INIS)

A procedure for the determination of lead in soil samples by "2"0"3Pb radioisotope dilution substoichiometric method is described. Japan NIES No.2 river clay standard sample and 83-40 Tibet soil standard sample were determined. The obtained values were in good agreement with reference values. The standard deviation of the method was less then 5%. Detection limit was about 0.1 #mu#g Pb.

456

Contamination preventive method and decontaminating method for equipment  

Energy Technology Data Exchange (ETDEWEB)

The method of the present invention comprises a step of previously coating a positive type resist on the surface of equipment, a step of solidifying the coated positive type resist and a step of bringing the coated equipment to circumstances for use and cleaning the positive type resist. With such procedures, the amount of radioactive materials deposited on the equipment can be reduced, and redeposition of nuclides on the surface to be cleaned can be prevented. (T.M.)

1998-12-04

457

Computer tomographic ventriculography  

Energy Technology Data Exchange (ETDEWEB)

A method for elucidating complex abnormalities of CSF circulation by using a positive contrast medium (metrizamide) and computer tomography is described. The technique for the method, the results and their clinical significance is demonstrated. The value of this method is compared with traditional ventriculography and with computer tomography without the use of contrast medium. It is shown that the technique represents an important extension of the scope of computer tomography.

1982-04-01

458

Computed tomography of the urinary bladder. Clinical application of the olive oil-filled method  

Energy Technology Data Exchange (ETDEWEB)

Out of one hundred cases of the urinary bladder abnormalities examined by this method, CT staging and pathological correlations were investigated in 61 cases of the urinary bladder neoplasms. Accuracy of CT staging was 87% in this series with possible exception of 6 cases involving the bladder base and dome. CT scan using this method is the most reliable procedure to determine the treatment modalities of the urinary bladder tumors.

1982-01-01

459

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

460

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).

461

Calculation of neutron source strength in Fast Flux Test Facility fuel as a function of irradiation  

Energy Technology Data Exchange (ETDEWEB)

A method of calculating the neutron source strength in irradiated Fast Flux Test Facility (FFTF), fuel has been developed and is presented in this paper. This method has been used to perform calculations in support of the reactivity monitoring of the FFTF reactor by the modified source multiplication method during refueling operations. 31 refs.

1981-08-01

462

Calculation method for microwave pyramidal horn radiators with curvilinear generatrix  

British Library Electronic Table of Contents (United Kingdom)

Calculation method for pyramidal horn radiators (PHR) with curvilinear generatrix has been developed on the basis of the theory of waveguide tapers. This method makes it possible to reduce the value of spurious reflection coefficients and transformation of the principal wave into waves of higher order modes by forming generatrixes of walls with specific curvilinearity.

2008-01-01

463

Bender-Dunne Orthogonal Polynomials, Quasi-Exact Solvability and Asymptotic Iteration Method for Rabi Hamiltonian  

International Nuclear Information System (INIS)

We present a method for obtaining the quasi-exact solutions of the Rabi Hamiltonian in the framework of the asymptotic iteration method (AIM). The energy eigenvalues, the eigenfunctions and the associated Bender-Dunne orthogonal polynomials are deduced. We show (i) that orthogonal polynomials are generated from the upper limit (i.e., truncation limit) of polynomial solutions deduced from AIM, and (ii) prove to have nonpositive norm. (authors)

2011-08-01

464

Benchmark Analysis of Subcritical Noise Measurements on a Nickel-Reflected Plutonium Metal Sphere  

Energy Technology Data Exchange (ETDEWEB)

Subcritical experiments using californium source-driven noise analysis (CSDNA) and Feynman variance-to-mean methods were performed with an alpha-phase plutonium sphere reflected by nickel shells, up to a maximum thickness of 7.62 cm. Both methods provide means of determining the subcritical multiplication of a system containing nuclear material. A benchmark analysis of the experiments was performed for inclusion in the 2010 edition of the International Handbook of Evaluated Criticality Safety Benchmark Experiments. Benchmark models have been developed that represent these subcritical experiments. An analysis of the computed eigenvalues and the uncertainty in the experiment and methods was performed. The eigenvalues computed using the CSDNA method were very close to those calculated using MCNP5; however, computed eigenvalues are used in the analysis of the CSDNA method. Independent ...

2009-09-01

465

Application of alpha-particle spectrometry in post-irradiation research and reprocessing  

Energy Technology Data Exchange (ETDEWEB)

Current applications of ..cap alpha..-particle spectrometry in post-irradiation research and reprocessing are reviewed. Implementation of procedures and techniques described in the literature to the particular samples at S.C.K./C.E.N. often results in a combined radiochemical method where ..cap alpha..-particle spectrometry is used to complement or enforce results obtained by other methods. Typical cases are reported and results obtained by different methods are compared to the results obtained by ..cap alpha..-particle spectrometry.

1984-04-01

466

An intercomparison of computer assisted date processing and display methods in radioisotope scintigraphy using mathematical tumours  

International Nuclear Information System (INIS)

Several computer assisted processing and display methods are evaluated using a series of 100 normal brain scintigrams, 50 of which have had single 'mathematical tumours' superimposed. Using a standard rating system, or in some cases quantitative estimation, LROC curves are generated for each method and compared. (author).

467

A radiant temperature numerical method for laser-plasma diagnostic using SXRSC with absorption method  

International Nuclear Information System (INIS)

An numerical method was developed for measuring radiant temperature using a set of absorption-foils coupled to soft x ray streak camera, SXRSC, in laser plasma experiments. An numerical code, SCC, was given. An x-ray intensity ratio vs temperature was calculated for Parylene, C_3H_6, Mylar and Aluminium. A suitable range of the measuring temperature was discussed to some absorber.

1990-01-01

468

A method of fundamental solutions for the one-dimensional inverse Stefan problem  

British Library Electronic Table of Contents (United Kingdom)

We investigate an application of the method of fundamental solutions (MFS) to the one-dimensional inverse Stefan problem for the heat equation by extending the MFS proposed in [5] for the one-dimensional direct Stefan problem. The sources are placed outside the space domain of interest and in the time interval (-T,T). Theoretical properties of the method, as well as numerical investigations, are included, showing that accurate and stable results can be obtained efficiently with small computational cost.

2011-01-01

469

A comparison of methods for calculating audible noise of high voltage transmission lines  

Energy Technology Data Exchange (ETDEWEB)

During the last several years, audible noise produced by high voltage transmission lines in corona has emerged as an important design consideration. In this same time frame a number of different methods for calculating audible noise levels have been proposed. The methods currently available, for both ac and dc lines, are described in this paper and are compared through application to practical line geometries for which data from long-term measurements are available.

1982-10-01

470

Validity of the CT to attenuation coefficient map conversion methods  

International Nuclear Information System (INIS)

The most important commercialized methods of attenuation correction in SPECT are based on attenuation coefficient map from a transmission imaging method. The transmission imaging system can be the linear source of radioelement or a X-ray CT system. The image of transmission imaging system is not useful unless to replacement of the attenuation coefficient or CT number with the attenuation coefficient in SPECT energy. In this paper we essay to evaluate the validity and estimate the error of the most used method of this transformation. The final result shows that the methods which use a linear or multi-linear curve accept a error in their estimation. The value of mA is not important but the patient thickness is very important and it can introduce a error more than 10 percent in the final result.

2004-04-27

471

Use of surface affinity enrichment and cryo-embedding to prepare in vitro reconstituted mitotic chromosomes for EM tomography  

Energy Technology Data Exchange (ETDEWEB)

We present a novel preparation method for studies of in vitro reconstituted mitotic chromosomes from Xenopus laevis egg extracts. This method involves a gentle adsorption of chromosomes from the extracts using surface affinity enrichment, followed by plunge freezing, freeze-substitution and cryo-embedding before examination by EM tomography. For comparison, chromosomes were also prepared by a conventional method, which included immobilization of chromosomes in agarose and a room-temperature dehydration (embedding) protocol. Three-dimensional reconstructions showed that samples prepared with the new method have a greater interconnectivity of sub-structural features and a higher compaction ratio together with an apparently less perturbed chromatin structure than those prepared using the conventional approach. The implications of the new method for the preparation of other difficult ...

2005-07-15

472

Time-resolved triple-axis spectroscopy - a new method for real-time neutron scattering  

International Nuclear Information System (INIS)

A new method for kinetic experiments with neutrons is described. This method combines the conventional triple-axis neutron spectroscopy with relaxation-type experiments. Whereas the former method yields information about the microscopic dynamics of solids, the latter provides macroscopic relaxation times. The combination of both methods allows to determine the microscopic mechanism of relaxation processes. The time-resolved triple-axis spectroscopy is limited to reversible processes and to time scales from 10"-"3 to 10"4 s. Typical applications are the kinetics of phase transformations (structural and dynamical changes), kinetics of domain distributions, kinetics of (spinodal) decomposition, reversible solid state reactions, time-dependent occupation of phonon states or phonon lifetimes. (orig.).

1990-04-01

473

Thermal performance simulation of a solar cavity receiver under windy conditions  

British Library Electronic Table of Contents (United Kingdom)

Solar cavity receiver plays a dominant role in the light-heat conversion. Its performance can directly affect the efficiency of the whole power generation system. A combined calculation method for evaluating the thermal performance of the solar cavity receiver is raised in this paper. This method couples the Monte-Carlo method, the correlations of the flow boiling heat transfer, and the calculation of air flow field. And this method can ultimately figure out the surface heat flux inside the cavity, the wall temperature of the boiling tubes, and the heat loss of the solar receiver with an iterative solution. With this method, the thermal performance of a solar cavity receiver, a saturated steam receiver, is simulated under different wind environments. The highest wall temperature of the boi...

2011-01-01

474

The forward modeling and reverse time migration of seismic wave field in complex medium  

Energy Technology Data Exchange (ETDEWEB)

The space derivation term of a wave equation is accurately calculated using Fourier transform method, and the wave equation only relating to time derivative in time-space domain is derived. Solving this equation with the aid of central difference method brings the numerical recursion formula for forward modeling or reverse time migration of seismic wave field in the medium in which seismic velocity varies. The key to this method lies in introducing two auxiliary wave fields relating to velocity and spacial frequency of Fourier transform respectively after multi-dimensional Fourier transform respectively after multi-dimensional Fourier transform of space vector is made. Theoretically, this method is suitable to the forward modeling and migration of seismic wave field in complex area where seismic velocity and structure shape vary arbitrarily. Theoretical results proved this method ...

1988-01-01

475

The determination of the tuning of a Power System Stabilizer (PSS). De bepaling van de instelling van een Power System Stabilizer  

Energy Technology Data Exchange (ETDEWEB)

By means of an analogous simulator, which can simulate a power supply system, a method to determine the transfer function of a Power System Stabilizer (PSS) is developed. The purpose of the PSS is to damp unwanted electro-mechanical oscillations. The method is very systematic and there is no need for specified values of the parameters used in the system. It is assumed that the power generator system is linear for small variations. The system can be considered to be a black box. Measurements executed by means of this method are completely controlled by the person who enforces the measurement. By applying this method carefully, irregularities are almost out of the question. The equipment necessary are a PC with two AD-ports and an adjustable sinus-generator. A comparison is made with a more traditional method, in which a spectrum analyzer is used. 4 figs., 7 refs.

1992-10-01

476

Survey of systems safety analysis methods and their application to nuclear waste management systems  

Energy Technology Data Exchange (ETDEWEB)

This report reviews system safety analysis methods and examines their application to nuclear waste management systems. The safety analysis methods examined include expert opinion, maximum credible accident approach, design basis accidents approach, hazard indices, preliminary hazards analysis, failure modes and effects analysis, fault trees, event trees, cause-consequence diagrams, G0 methodology, Markov modeling, and a general category of consequence analysis models. Previous and ongoing studies on the safety of waste management systems are discussed along with their limitations and potential improvements. The major safety methods and waste management safety related studies are surveyed. This survey provides information on what safety methods are available, what waste management safety areas have been analyzed, and what are potential areas for future study.

1981-11-01

477

Survey o methods for secure connection to the internet; Internet tono anzenna setsuzoku hoshiki no genjo  

Energy Technology Data Exchange (ETDEWEB)

This paper describes a study of a security method of protecting inside network computers against outside miscreants and unwelcome visitors and a control method when these computers are connected with the Internet. In the present Internet, a method to encipher all data cannot be used, so that it is necessary to utilize PEM (Privacy Enhanced Mail) capable of the encipherment and conversion of secret information. For preventing miscreant access by eavesdropping password, one-time password is effective. The most cost-effective method is a firewall system. This system lies between the outside and inside network. By limiting computers that directly communicate with the Internet, control is centralized and inside network Security is protected. If the security of firewall systems is strictly controlled under correct setting, security within the network can be secured even in open networks such as the Internet. ...

1994-04-01

478

Statistical methods for environmental pollution monitoring  

Energy Technology Data Exchange (ETDEWEB)

This volume covers planning, design, and data analysis. It offers statistical methods for designing environmental sampling and monitoring programs as well as analyzing the resulting data. Statistical sample survey methods to problems of estimating average and total amounts of environmental pollution are presented in detail. The book also provides a broad array of statistical analysis methods for many purposes...numerous examples...three case studies...end-of-chapter questions...computer codes (showing what output looks like along with its interpretation)...a discussion of Kriging methods for estimating pollution concentration contours over space and/or time...nomographs for determining the number of samples required to detect hot spots with specified confidence...and a description and tables for conducting Rosner's test to identify outlaying (usually large) pollution measurements in a data set.

1986-01-01

479

Reliability data update method for emergency diesel generator of Daya Bay Nuclear Power Plant  

British Library Electronic Table of Contents (United Kingdom)

In the field of Living Probabilistic Safety Assessment (LPSA) the reliability data updating is an important factor. In risk analysis equipment failure data is needed to estimate the frequencies of events contributing to risk posed by a facility. Five years data of emergency diesel generator (EDG) of Daya Bay Nuclear Power Plant (NPP) has been studied in this paper. The data updating process has been done by using two methods, i.e., the classical method and Bayesian method. The aim of using these methods is to calculate the operational failure rate (@l) and demand failure probability (p). The results show that the operational failure rate is 1.7E-3 per hour and the demand failure probability is 2.4E-2 demand per day for Daya Bay NPP. By comparing the results obtain from classical and Bayesi...

2011-01-01

480

Precise lithium isotopic analysis by thermal ionization mass spectrometry using lithium phosphate as an ion source material  

International Nuclear Information System (INIS)

A high-precision Li isotope analysis was developed for determining the Li"+ ion emitted from lithium phosphate as an ion source material by a Re double-filament ionization method in the thermal ionization mass spectrometry. In this method, Li isotopic fractionation is distinctly less sensitive to the filament temperature than those in the previous methods, and stable and high ion beam intensity of more than 8 x 10"-"1"1 A for "7Li is obtained. These advantages in determining the "7Li/"6Li ratio result in the analytical reproducibility of 0.26 per mille (1#sigma#). Furthermore, the sample preparation is simple and the low temperature (850degC) required by this method ensures the analysis of the isotopic composition of small amounts of Li with less influence of Li contamination to the sample, compared with the previous methods. (author).

481

Parallelization of the FLAPW method  

International Nuclear Information System (INIS)

The FLAPW (full-potential linearized-augmented plane-wave) method is one of the most accurate first-principles methods for determining electronic and magnetic properties of crystals and surfaces. Until the present work, the FLAPW method has been limited to systems of less than about one hundred atoms due to a lack of an efficient parallel implementation to exploit the power and memory of parallel computers. In this work we present an efficient parallelization of the method by division among the processors of the plane-wave components for each state. The code is also optimized for RISC (reduced instruction set computer) architectures, such as those found on most parallel computers, making full use of BLAS (basic linear algebra subprograms) wherever possible. Scaling results are presented for systems of up to 686 silicon atoms and 343 palladium atoms per unit cell, running on up to 512 processors on a ...

1999-12-01

482

Manufacture of a ?-titanium hollow shaft by incremental forming  

British Library Electronic Table of Contents (United Kingdom)

Excellent mechanical properties and corrosion resistance combined with low weight qualify ?-titanium materials for lightweight applications in aviation, automotive and energy engineering. Thus far, actual applications of these materials have been limited due to high material costs and limited processing knowledge. One approach for developing resource-efficient manufacturing methods is the application of incremental forming methods. This article focuses on the development of the incremental spin extrusion process, which creates hollow profiles from solid bars. This method allows hollow shape manufacturing with a much higher flexibility than other forming methods and a significantly improved material utilization in comparison to machining methods, such as deep hole drilling. Beta-titanium al...

2011-01-01

483

Linearized augmented-plane-wave method for quasi-unidimensional systems: Carbyne and nanotube (Sc@C{sub 20})  

Energy Technology Data Exchange (ETDEWEB)

The advent of carbon nanotubes, which are graphite layers convoluted in cylinders several nanometers in diameter and several micrometers in length, as well as the experiments on implanting metal atoms in such tubes open the way to producing nanoconductors and other materials with unique properties. For theorists, the basic challenge is interpreting and predicting the structure and properties of these systems. The linearized augmented-plane-wave method (LAPW) is one of the most accurate methods in the theory of the electronic structure of solids. A generalization of this method for quasi-two-dimensional systems, surface electronic states, and layered crystals is known. The LAPW theory for quasi-unidimensional systems, which exhibit translational symmetry in one direction, has been absent thus far. In this paper, the authors suggest a version of such a theory and use this method to calculate the ...

1995-10-01

484

Linear augmented plane wave method for self-consistent calculations  

International Nuclear Information System (INIS)

O.K. Andersen has recently introduced a linear augmented plane wave method (LAPW) for the calculation of electronic structure that was shown to be computationally fast. A more general formulation of an LAPW method is presented here. It makes use of a freely disposable number of eigenfunctions of the radial Schroedinger equation. These eigenfunctions can be selected in a self-consistent way. The present formulation also results in a computationally fast method. It is shown that Andersen's LAPW is obtained in a special limit from the present formulation. Self-consistent test calculations for copper show the present method to be remarkably accurate. As an application, scalar-relativistic self-consistent calculations are presented for the band structure of FCC lanthanum. (author).

485

Grading of quality assurance requirements  

International Nuclear Information System (INIS)

The present Manual provides guidance and illustrative examples for applying a method by which graded quality assurance requirements may be determined and adapted to the items and services of a nuclear power plant in conformance with the requirements of the IAEA Nuclear Safety Standards (NUSS) Code and Safety Guides on quality assurance. The Manual replaces the previous publication IAEA-TECDOC-303 on the same subject. Various methods of grading quality assurance are available in a number of Member States. During the development of the present Manual it was not considered practical to attempt to resolve the differences between those methods and it was preferred to identify and benefit from the good practices available in all the methods. The method presented in this Manual deals with the aspects of management, documentation, control, verification and administration which affect ...

486

Generation of simulated earthquake motion to fit widely-enveloped severe test response spectrum for lightly-damped equipment  

International Nuclear Information System (INIS)

This paper reviews generation methods of artificial earthquake motion and proposes an improved method of generating input motions for use in vibration tests of equipment to prove aseismic performance. The improved method employs beat wave repetition characteristic that inherently appears in the component waves of recorded earthquakes decomposed by bandpass filter and algebraic function phase for the component waves. Typical motions generated by the improved method satisfies prescribed severe conditions such as target response spectrum that are defined with a wideband frequency component and a limited maximum acceleration due to shaking table performance. The motions had never been generated by the conventional method.

1993-07-25

487

Extension of the implicit curve-fitting method for fast calculation of thermodynamic properties of refrigerants in supercritical region  

Energy Technology Data Exchange (ETDEWEB)

The implicit curve-fitting method has been used for fast and stable calculations of thermodynamic properties of subcritical refrigerants, and it has to use the saturated liquid or vapor state as the reference state. In order to extend the application range of this method in supercritical region, an isothermal state in the supercritical region is used as the reference state, and the implicit equations for supercritical refrigerants in this state and out of this state are established, respectively. The new calculation method can be used in the entire supercritical region. With the new method, thermodynamic properties of supercritical CO{sub 2} and R410A are predicted and compared with REFPROP 8. It shows that the total mean relative deviations of the fast calculation formulae from REFPROP 8 are less than 1%, while the mean calculation speeds of the fast calculation formulae are more than 100 times faster ...

2009-11-15

488

Establishment of a method for RIA of transferrin  

International Nuclear Information System (INIS)

Objective: To develop a method for RIA of transferrin without dilution of the serum sample. Methods: The measurable range was broadened through: Lowering of the specific radioactivity of the labelled antigen, increasing the concentration of the anti-serum and improve the curve fitting method. Results: The antiserum affinity was 3.82 x 10"-"1"0 mol/L, the specific radioactivity of the labelled antigen was 15.3 mg/mic, inter-assay error CV 5.38%, intra-assay error CV = 3.5% and the shape of the curve was good. For 30 normal control specimens, the mean TF content was 2.81 +- 0.972 mg/ml. Conclusion: Development of a method for RIA of TF without previous dilution of the test serum was of clinical value

2002-04-01

489

Development of ozone generator by modification of the field distribution  

International Nuclear Information System (INIS)

New methods have been established to enhance the ozone production of the surface discharge arrangement. One method sets the discharge electrode a short distance away from the surface of the dielectric material, whilst another uses a special power supply system resulting in a superimposed discharge. According to the experiments, significant differences have been found in the ozone production capacity of the different arrangements. The characteristics of the electric field distribution of the designs have been calculated using the finite element method for the potential; and the Donor-Cell method for the space charge calculation, and the results have been analysed. A method of analysis has been established for the calculated field characteristics, which provides two index numbers. The reasons are highlighted for the differences in ozone production in relation to the index numbers ...

2008-12-01

490

Development of Control Design Scheme Using Nonlinear Analysis  

Science.gov (United States)

Phenomena in power systems tend to exhibit higher nonlinearity, because efficient operation accompanies severer power transfer. In such cases, there might exist some limitation to the use of conventional linear control design scheme due to the nonlinearity. As for consideration to the nonlinearity, we have developed a nonlinear analysis method based on normal form theory. In this paper, we develop a new control design scheme based on the nonlinear analysis method. The developed method is effective in a case when oscillatory instability occurs. In the developed method, the parameters of control devices are adjusted so as to enlarge the stability limit against the oscillatory instability, unless each eigenvalue exceed its allowable threshold. We verify the effectiveness of the developed method in the IEEJ 10-machine System Model by applying to PSS (Power System Stabilizer). We show ...

2007-01-01

491

Cooperative control for multiple manipulators using an extended passive velocity field control; Passive velocity field control wo mochiita fukuwan kyocho seigyo  

Energy Technology Data Exchange (ETDEWEB)

In this paper, we propose a new cooperative control method for multiple robotic systems that eliminates several issues in the discentralized control method. The proposed control method is constructed by extending a Passive Velocity Field Control (PVFC). It is easy to guarantee the stability in control, because the PVFC can keep the passivity of the controlled system. In this study, the cooperative control method is proposed and then it`s stability is proven. Moreover, it is extended so as to control an internal force and to control a virtual time. Finally, the efficiency of the proposed cooperative control method are examined by computer simulations for cooperation tasks with two manipulators. 11 refs., 7 figs., 1 tab.

1997-12-20

492

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

493

Comparative study of extraction methods for solar cell model parameters  

Energy Technology Data Exchange (ETDEWEB)

A comparative study of three methods for extracting solar cell parameters of the single-diode lumped-circuit model is presented, using experimental characteristics collected from two silicon cells over a range of illuminations and temperatures. The results show that the curve-fitting method can often give erroneous parameter values. The 5-point methods are found to be reliable and accurate in situations where the model is a good approximation of cell performance. The analytical 5-point method, however, has the added advantage of simplicity. It is also found that for the cell measured, the single diode model is valid at illuminations above one-half AM1 but gives non-physical parameter values at lower illumination.

1986-03-01

494

A particle tracking transport method for the simulation of resident and flux-averaged concentration of solute plumes in groundwater models  

British Library Electronic Table of Contents (United Kingdom)

A new numerical technique called the convolution-based particle tracking (CBPT) method is developed to simulate resident or flux-averaged solute concentrations in groundwater models. The method is valid for steady-state flow and linear transport processes such as sorption with a linear sorption isotherm and first-order decay. The CBPT method uses particle tracking to take advantage of the ability of particle-based approaches to maintain sharp fronts for advection-dominated transport problems common in groundwater modeling and because of the flexibility of the random walk method to simulate a wide range of possible forms of the dispersion tensor. Furthermore, the algorithm for carrying out the convolution and superposition calculation from particle tracking results is very efficient. We sho...

2010-01-01

495

A nonlinearity compensation method for a matrix converter drive  

DEFF Research Database (Denmark)

This paper presents a new method to compensate the nonlinearities for matrix converter drives. The nonlinearities of matrix converter drives such as commutation delay, turn-on and turn-off time of the switching devices, and on-state switching device voltage drop is corrected by a new matrix converter model using the direction of current. The proposed method does not need any additional hardware or complicated software and it is easy to realize by applying the algorithm to the conventional vector control. The proposed compensation method is applied for high-performance induction motor drives using a 3-kW matrix converter system without a speed sensor. Experimental results show the proposed method provides good compensating characteristics.

2005-01-01

496

A method for prospecting for gas deposits  

Energy Technology Data Exchange (ETDEWEB)

The method is related to hydrodynamic methods for studying wells and may be used in the prospecting and mapping of gas and gas condensate deposits and formations. The method consits of drilling exploratory wells and measurement of the physical parameters of the stratum liquid. The piezometric levels are periodically determined simultaneously in all the observation wells during a change in the atmospheric pressure, and the presence of a remoteness of the gas deposit from the well is judged from the size of the increments in the piezometric levels intime. The determinations of the piezometric levels in the wells are conducted during an abrupt change in atmospheric pressure, for instance, during the replacement of a cyclone by an anticyclone or the reverse. The atmospheric pressure is measured by a barograph, while the piezometric levels are measured by high precision level meters or pressure gauges of low pressure. The ...

1980-12-30

497

A Comparative Study of Hydrodistillation and Hydrodistillation?Solvent Microextraction Methods for Identification of Volatile Components of Echinophora cinerea  

British Library Electronic Table of Contents (United Kingdom)

A recently developed hydrodistillation?solvent microextraction (HD?SME) method coupled to gas chromatography?mass spectrometry (GC?MS) was applied to the analysis of volatile components of aerial parts of Echinophora cinerea (Boiss). By the use of a simplex optimization method, the effects of extraction time, sample weight and microdrop volume on the extraction efficiency of the method were optimized. In the optimized conditions, 3??L of n-heptadecane was suspended in the headspace of 6?g of hydrodistillating sample, using a microsyringe. After 7?min, the solvent was retracted back into the syringe and directly injected into the GC?MS injection port. The HD?SME method was compared to a conventional hydrodistillation technique. In general, the extraction with HD?SME was relatively faster an...

2009-01-01

498

Metal Nanoparticles Preparation In Supercritical Carbon Dioxide Solutions  

Energy Technology Data Exchange (ETDEWEB)

The novel optical, electronic, and/or magnetic properties of metal and semiconductor nanoparticles have resulted in extensive research on new methods for their preparation. An ideal preparation method would allow the particle size, size distribution, crystallinity, and particle shape to be easily controlled, and would be applicable to a wide variety of material systems. Numerous preparation methods have been reported, each with its inherent advantages and disadvantages; however, an ideal method has yet to emerge. The most widely applied methods for nanoparticle preparation include the sonochemical reduction of organometallic reagents,(1&2) the solvothermal method of Alivisatos,(3) reactions in microemulsions,(4-6) the polyol method (reduction by alcohols),(7-9) and the use of polymer and solgel materials as hosts.(10-13) In addition to ...

2004-04-01

499

Fuel management optimization in CANDU reactors cooled with light water; Optimisation de la gestion du combustible dans les reacteurs CANDU refroidis a l'eau lege  

Energy Technology Data Exchange (ETDEWEB)

This research has two main goals. First, we wanted to introduce optimization tools in the diffusion code DONJON, mostly for fuel management. The second objective is more practical. The optimization capabilities are applied to the fuel management problem for different CANDU reactors at refueling equilibrium state. Two kinds of approaches are considered and implemented in this study to solve optimization problems in the code DONJON. The first methods are based on gradients and on the quasi-linear mathematical programming. The method initially developed in the code OPTEX is implemented as a reference approach for the gradient based methods. However, this approach has a major drawback. Indeed, the starting point has to be a feasible point. Then, several approaches have been developed to be more general and not limited by the initial point choice. Among the different methods we developed, two were found to ...

2006-07-01

500

On the application of Allan variance method for Ring Laser Gyro performance characterization  

Energy Technology Data Exchange (ETDEWEB)

This report describes the method of Allan variance and its application to the characterization of a Ring Laser Gyro`s (RLG) performance. Allan variance, a time domain analysis technique, is an accepted IEEE standard for gyro specifications. The method was initially developed by David Allan of the National Bureau of Standards to quantify the error statistics of a Cesium beam frequency standard employed as the US Frequency Standards in 1960`s. The method can, in general, be applied to analyze the error characteristics of any precision measurement instrument. The key attribute of the method is that it allows for a finer, easier characterization and identification of error sources and their contribution to the overall noise statistics. This report presents an overview of the method, explains the relationship between Allan variance and power spectral density distribution of underlying ...

1993-10-15